smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1sc2nc(C(C)C)n(C3CC[NH+](CC(=O)N(C)C)CC3)c(=O)c2c1C ZINC000012145449 204375471 /nfs/dbraw/zinc/37/54/71/204375471.db2.gz IDJFHBSXVGPPJU-UHFFFAOYSA-N 1 1 390.553 2.923 40 0 GFABMO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000072348736 205331090 /nfs/dbraw/zinc/33/10/90/205331090.db2.gz USSMUHQAXOKUOI-LJQANCHMSA-N 1 1 397.494 2.850 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000072348736 205331094 /nfs/dbraw/zinc/33/10/94/205331094.db2.gz USSMUHQAXOKUOI-LJQANCHMSA-N 1 1 397.494 2.850 40 0 GFABMO COc1cccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348720 205331191 /nfs/dbraw/zinc/33/11/91/205331191.db2.gz GTZKUPMGDRXBCQ-LJQANCHMSA-N 1 1 395.503 2.795 40 0 GFABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072355549 205331593 /nfs/dbraw/zinc/33/15/93/205331593.db2.gz RXEDHTRNMOASRV-KRWDZBQOSA-N 1 1 382.512 2.588 40 0 GFABMO CC(C)c1nccn1-c1cncc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072355549 205331598 /nfs/dbraw/zinc/33/15/98/205331598.db2.gz RXEDHTRNMOASRV-KRWDZBQOSA-N 1 1 382.512 2.588 40 0 GFABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@H]2CCNC(=O)c1cscn1 ZINC000253599467 206149193 /nfs/dbraw/zinc/14/91/93/206149193.db2.gz QCYPIRGPUHUYOL-CQSZACIVSA-N 1 1 377.535 2.924 40 0 GFABMO Cc1ccc(C(=O)N2CCC[C@@](O)(C[N@H+]3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000257340295 206182133 /nfs/dbraw/zinc/18/21/33/206182133.db2.gz ZFKDEHROQDYEOR-QHCPKHFHSA-N 1 1 395.503 2.511 40 0 GFABMO Cc1ccc(C(=O)N2CCC[C@](O)(C[N@H+]3CCc4ccccc4C3)CC2)c(=O)[nH]1 ZINC000257340294 206181235 /nfs/dbraw/zinc/18/12/35/206181235.db2.gz ZFKDEHROQDYEOR-HSZRJFAPSA-N 1 1 395.503 2.511 40 0 GFABMO CC(C)CN1c2ccccc2C2(CC[NH+](Cc3cnn(C)c3)CC2)S1(=O)=O ZINC000306143583 206207256 /nfs/dbraw/zinc/20/72/56/206207256.db2.gz YGIKECGXMXAYCI-UHFFFAOYSA-N 1 1 388.537 2.717 40 0 GFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3)C[C@H]1C2 ZINC000306123746 206197987 /nfs/dbraw/zinc/19/79/87/206197987.db2.gz AVNCADMABUBCKL-UXHICEINSA-N 1 1 387.487 2.512 40 0 GFABMO C[C@H](C[N@H+]1CCc2c(nc(N3C[C@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335496 136168468 /nfs/dbraw/zinc/16/84/68/136168468.db2.gz FABMBFBEXQWRLX-IKGGRYGDSA-N 1 1 382.508 2.958 40 0 GFABMO Cn1nc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1C[NH+](C)C ZINC000019709070 551114410 /nfs/dbraw/zinc/11/44/10/551114410.db2.gz UHODFRSEAHACEV-MRXNPFEDSA-N 1 1 382.917 2.661 40 0 GFABMO CN1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 ZINC000049155314 560083889 /nfs/dbraw/zinc/08/38/89/560083889.db2.gz AKLZESVJFFKJEF-IBGZPJMESA-N 1 1 391.479 2.820 40 0 biogenic,in-vitro GFABMO CN1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-c4cncnc4)nc3)no2)CC1 ZINC000049155314 560083890 /nfs/dbraw/zinc/08/38/90/560083890.db2.gz AKLZESVJFFKJEF-IBGZPJMESA-N 1 1 391.479 2.820 40 0 biogenic,in-vitro GFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1ccccc1Br ZINC000585292131 565104344 /nfs/dbraw/zinc/10/43/44/565104344.db2.gz FFEIKXJYVCGQOR-KBAYOESNSA-N 1 1 380.257 2.909 40 0 GFABMO CC(C)(O)c1ccc2c(c1)CCN(c1cc(NCCCO)nc(C3CC3)[nH+]1)C2 ZINC000329029266 570213661 /nfs/dbraw/zinc/21/36/61/570213661.db2.gz PYQUGHONYIIOTP-UHFFFAOYSA-N 1 1 382.508 2.938 40 0 GFABMO Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000019749778 570215110 /nfs/dbraw/zinc/21/51/10/570215110.db2.gz IIOIWRNJHCGQFY-IBGZPJMESA-N 1 1 388.537 2.914 40 0 GFABMO COc1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)cc1 ZINC000096239893 570222190 /nfs/dbraw/zinc/22/21/90/570222190.db2.gz QKEFQEMTDLYMDF-UHFFFAOYSA-N 1 1 395.503 2.845 40 0 GFABMO CC[NH+]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)CC1 ZINC000057523001 570364191 /nfs/dbraw/zinc/36/41/91/570364191.db2.gz KCUKIWKOEWIZDR-UHFFFAOYSA-N 1 1 393.369 2.786 40 0 GFABMO COc1ccccc1OC[C@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000031666910 570505440 /nfs/dbraw/zinc/50/54/40/570505440.db2.gz ZPMJSHVHTXTXRH-GOSISDBHSA-N 1 1 376.884 2.911 40 0 GFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 ZINC000575404309 570520484 /nfs/dbraw/zinc/52/04/84/570520484.db2.gz LNBWNNCORMCSCB-KRWDZBQOSA-N 1 1 396.491 2.700 40 0 GFABMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CO)c3c1[C@H](C2)[N@H+](C)CC3 ZINC000001068989 570537026 /nfs/dbraw/zinc/53/70/26/570537026.db2.gz FRSRMZNTUGSNRW-INIZCTEOSA-N 1 1 385.460 2.965 40 0 GFABMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CO)c3c1[C@H](C2)[N@@H+](C)CC3 ZINC000001068989 570537032 /nfs/dbraw/zinc/53/70/32/570537032.db2.gz FRSRMZNTUGSNRW-INIZCTEOSA-N 1 1 385.460 2.965 40 0 GFABMO CC(=O)N1Cc2ccccc2OC2(CC[NH+](CC(=O)N3CCCCCC3)CC2)C1 ZINC000012365545 570646599 /nfs/dbraw/zinc/64/65/99/570646599.db2.gz VVKKDDNMOQMOGD-UHFFFAOYSA-N 1 1 399.535 2.665 40 0 GFABMO C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004909405 570647787 /nfs/dbraw/zinc/64/77/87/570647787.db2.gz AFAIINPWCJNJJC-BEFAXECRSA-N 1 1 375.488 2.715 40 0 GFABMO C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004909411 570647869 /nfs/dbraw/zinc/64/78/69/570647869.db2.gz AFAIINPWCJNJJC-KXBFYZLASA-N 1 1 375.488 2.715 40 0 GFABMO CCCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019502134 570927364 /nfs/dbraw/zinc/92/73/64/570927364.db2.gz KCEVYYSXRGMEHG-SFTDATJTSA-N 1 1 398.555 2.901 40 0 GFABMO C[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019589864 570927722 /nfs/dbraw/zinc/92/77/22/570927722.db2.gz CAUZJECYGWOBLA-HXUWFJFHSA-N 1 1 396.926 2.906 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106337 570936295 /nfs/dbraw/zinc/93/62/95/570936295.db2.gz XFNFIOBTHWIQRB-SXLOBPIMSA-N 1 1 383.536 2.836 40 0 GFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(N2CCCC2=O)cc1 ZINC000018217047 570951743 /nfs/dbraw/zinc/95/17/43/570951743.db2.gz DBXUKJZYMRWMIP-UHFFFAOYSA-N 1 1 393.487 2.576 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019021802 570955143 /nfs/dbraw/zinc/95/51/43/570955143.db2.gz UHOYGJLSXARWBP-QGZVFWFLSA-N 1 1 381.455 2.696 40 0 GFABMO CC(=O)OCc1ccc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019129282 570958068 /nfs/dbraw/zinc/95/80/68/570958068.db2.gz ZSTMKSHISULAOV-OAHLLOKOSA-N 1 1 383.452 2.656 40 0 GFABMO COc1cc2nc3n(c(=O)c2cc1OC)CC[N@@H+](Cc1sccc1C)CC3 ZINC000019238709 570967660 /nfs/dbraw/zinc/96/76/60/570967660.db2.gz ZGFRQMKIRZUIRZ-UHFFFAOYSA-N 1 1 385.489 2.842 40 0 GFABMO Cc1[nH+]ccn1CCCNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CC1)N2 ZINC000019288147 570970453 /nfs/dbraw/zinc/97/04/53/570970453.db2.gz JJISXKXXCWNZPI-DZGCQCFKSA-N 1 1 396.417 2.906 40 0 GFABMO CSc1nnc([C@@H]2CCCN2C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)n1C ZINC000019289261 570971460 /nfs/dbraw/zinc/97/14/60/570971460.db2.gz LOJWZXJXBIXBNQ-GJZGRUSLSA-N 1 1 377.489 2.643 40 0 GFABMO C[C@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)c2C1 ZINC000019497120 570989946 /nfs/dbraw/zinc/98/99/46/570989946.db2.gz WTRUZKVVUMXTPP-LSDHHAIUSA-N 1 1 395.507 2.597 40 0 GFABMO C[C@@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CC[N@H+](C)C5)CC3)c2C1 ZINC000019497111 570990026 /nfs/dbraw/zinc/99/00/26/570990026.db2.gz BRDVSACZVFASIP-CQSZACIVSA-N 1 1 395.507 2.597 40 0 GFABMO CCc1cc(=O)[nH]c([C@H]2CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019522491 570995238 /nfs/dbraw/zinc/99/52/38/570995238.db2.gz PLGICVPIRPGZQR-HNNXBMFYSA-N 1 1 387.480 2.738 40 0 GFABMO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc1OC ZINC000019533932 570999878 /nfs/dbraw/zinc/99/98/78/570999878.db2.gz RREZKVXKSNYMBL-BHIFYINESA-N 1 1 396.531 2.956 40 0 GFABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)CCN1CCOCC1 ZINC000019589134 571016415 /nfs/dbraw/zinc/01/64/15/571016415.db2.gz VYMXLOFCZIOVNJ-MQSCRBSSSA-N 1 1 385.552 2.578 40 0 GFABMO COc1ccc(OC)c(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1 ZINC000019590707 571018713 /nfs/dbraw/zinc/01/87/13/571018713.db2.gz GVFOQDFOWASSPZ-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(OC)c(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019590707 571018714 /nfs/dbraw/zinc/01/87/14/571018714.db2.gz GVFOQDFOWASSPZ-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)C[C@@H]2Oc3ccccc3NC2=O)CC1 ZINC000019657096 571023823 /nfs/dbraw/zinc/02/38/23/571023823.db2.gz KTWXPXYTXXFKCO-IBGZPJMESA-N 1 1 382.464 2.610 40 0 GFABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 ZINC000019691808 571029782 /nfs/dbraw/zinc/02/97/82/571029782.db2.gz WFSUZKKJWAWWAC-HXUWFJFHSA-N 1 1 395.507 2.509 40 0 GFABMO Cc1cc2cc(C(=O)N3CCc4nnc([C@H]5CCC[N@H+](C)C5)n4CC3)ccc2o1 ZINC000019709262 571033538 /nfs/dbraw/zinc/03/35/38/571033538.db2.gz ZNQKIUGOGPXQRT-KRWDZBQOSA-N 1 1 393.491 2.840 40 0 GFABMO CC(=O)N1CCc2nnc([C@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)n2CC1 ZINC000019710643 571034619 /nfs/dbraw/zinc/03/46/19/571034619.db2.gz XPYKITAQJQEPNU-HXUWFJFHSA-N 1 1 392.507 2.512 40 0 GFABMO CC(=O)N1CCc2nnc([C@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)n2CC1 ZINC000019710643 571034623 /nfs/dbraw/zinc/03/46/23/571034623.db2.gz XPYKITAQJQEPNU-HXUWFJFHSA-N 1 1 392.507 2.512 40 0 GFABMO Cc1c(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4cc(F)ccc4[nH]3)C2)cnn1C ZINC000019715578 571037282 /nfs/dbraw/zinc/03/72/82/571037282.db2.gz BEZWNEMGPUYTDM-AWEZNQCLSA-N 1 1 384.459 2.637 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056052 571097963 /nfs/dbraw/zinc/09/79/63/571097963.db2.gz PGZIJXVLHZJGMJ-JXFKEZNVSA-N 1 1 386.521 2.820 40 0 GFABMO Cc1ccc(C[N@H+]2CCC[C@]3(C(=O)N(C)C)CN(c4ncccn4)C[C@@H]3C2)s1 ZINC000096056104 571098013 /nfs/dbraw/zinc/09/80/13/571098013.db2.gz YTVPIMULLNYZQT-UWJYYQICSA-N 1 1 399.564 2.653 40 0 GFABMO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2)N1CCC[C@H]2CCCC[C@H]21 ZINC000012117933 204373400 /nfs/dbraw/zinc/37/34/00/204373400.db2.gz RISJWZFOBCHBHD-YLJYHZDGSA-N 1 1 396.535 2.815 40 0 GFABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)c3ccc(F)c(F)c3F)cc2)CC1 ZINC000062107121 205185857 /nfs/dbraw/zinc/18/58/57/205185857.db2.gz LOMCDMDZVJSCDE-UHFFFAOYSA-N 1 1 377.366 2.744 40 0 GFABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072357634 205332080 /nfs/dbraw/zinc/33/20/80/205332080.db2.gz MBFQDGRJEISNMU-OAQYLSRUSA-N 1 1 395.503 2.677 40 0 GFABMO COc1ccccc1Cc1cccc([C@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072357634 205332082 /nfs/dbraw/zinc/33/20/82/205332082.db2.gz MBFQDGRJEISNMU-OAQYLSRUSA-N 1 1 395.503 2.677 40 0 GFABMO O=C(c1cc[nH]n1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355191 205332830 /nfs/dbraw/zinc/33/28/30/205332830.db2.gz XWGBNMWZQMJCJL-LJQANCHMSA-N 1 1 375.476 2.622 40 0 GFABMO O=C(c1ccn[nH]1)N1CC[N@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355191 205332835 /nfs/dbraw/zinc/33/28/35/205332835.db2.gz XWGBNMWZQMJCJL-LJQANCHMSA-N 1 1 375.476 2.622 40 0 GFABMO O=C(c1ccn[nH]1)N1CC[N@@H+](Cc2ccccc2)C[C@@H](Cc2ccccn2)C1 ZINC000072355191 205332840 /nfs/dbraw/zinc/33/28/40/205332840.db2.gz XWGBNMWZQMJCJL-LJQANCHMSA-N 1 1 375.476 2.622 40 0 GFABMO COc1ccccc1-c1nccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000072358551 205334142 /nfs/dbraw/zinc/33/41/42/205334142.db2.gz MSYPPIPIPJLPSQ-QGZVFWFLSA-N 1 1 380.492 2.954 40 0 GFABMO Cc1ccc2oc(C(=O)N3CCC[C@@H](c4nnc5n4CC[N@H+](C)CC5)C3)cc2c1 ZINC000072370933 205336156 /nfs/dbraw/zinc/33/61/56/205336156.db2.gz KREUTIFGXAHXRV-MRXNPFEDSA-N 1 1 393.491 2.840 40 0 GFABMO CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399209 205344081 /nfs/dbraw/zinc/34/40/81/205344081.db2.gz RLQMQYYSZBJAFA-KBAYOESNSA-N 1 1 386.540 2.720 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224574556 206024505 /nfs/dbraw/zinc/02/45/05/206024505.db2.gz OYQRUJQARRCWNX-KRWDZBQOSA-N 1 1 384.476 2.611 40 0 GFABMO COCC[N@@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000248046061 206136176 /nfs/dbraw/zinc/13/61/76/206136176.db2.gz WIIGKHDZGCHYPH-MBSDFSHPSA-N 1 1 397.519 2.824 40 0 GFABMO Cc1csc(Nc2cc(C)[nH+]c([C@H]3CN(C(=O)C(C)(C)O)CCO3)c2)n1 ZINC000257213896 206158622 /nfs/dbraw/zinc/15/86/22/206158622.db2.gz CJOQIHHBOUQIQS-OAHLLOKOSA-N 1 1 376.482 2.569 40 0 GFABMO O=C(CC[N@@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000257299308 206174170 /nfs/dbraw/zinc/17/41/70/206174170.db2.gz RPMYKICAIACPQV-OAQYLSRUSA-N 1 1 399.466 2.510 40 0 GFABMO O=C(CC[N@H+]1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000257299308 206174173 /nfs/dbraw/zinc/17/41/73/206174173.db2.gz RPMYKICAIACPQV-OAQYLSRUSA-N 1 1 399.466 2.510 40 0 GFABMO CC[N@@H+](Cc1c(C)onc1-c1ccccc1)C[C@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257242396 206165307 /nfs/dbraw/zinc/16/53/07/206165307.db2.gz ICHIHKRZXVJKEI-NRFANRHFSA-N 1 1 394.479 2.820 40 0 GFABMO COCC[N@H+]1CCC[C@@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257331154 206179312 /nfs/dbraw/zinc/17/93/12/206179312.db2.gz XRPQAISIBXEUIT-LJQANCHMSA-N 1 1 376.526 2.580 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)c1 ZINC000306139382 206204421 /nfs/dbraw/zinc/20/44/21/206204421.db2.gz SVWCZTZYFSVKMK-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](CC1CC1)C[C@H]2c1cccnc1 ZINC000306140244 206204591 /nfs/dbraw/zinc/20/45/91/206204591.db2.gz UNVDHILINJPFTH-FPOVZHCZSA-N 1 1 383.517 2.750 40 0 GFABMO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@H+](Cc2cccc(F)c2)C1 ZINC000306124290 206196416 /nfs/dbraw/zinc/19/64/16/206196416.db2.gz BMCOEOCWSLOGLT-JOCHJYFZSA-N 1 1 376.435 2.992 40 0 GFABMO CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000306124826 206197522 /nfs/dbraw/zinc/19/75/22/206197522.db2.gz CAMFJKHBYNKMEX-OAQYLSRUSA-N 1 1 397.519 2.603 40 0 GFABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306125900 206197756 /nfs/dbraw/zinc/19/77/56/206197756.db2.gz DFDLGRGLDMYOGS-GMAHTHKFSA-N 1 1 395.478 2.828 40 0 GFABMO Cn1cc(C[NH+]2CCC3(CC2)NC(=O)c2sc(-c4ccccc4)nc23)cn1 ZINC000306128634 206198346 /nfs/dbraw/zinc/19/83/46/206198346.db2.gz HGWCUMSSFAJOIP-UHFFFAOYSA-N 1 1 379.489 2.778 40 0 GFABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@H]3C2)n1 ZINC000306138724 206204282 /nfs/dbraw/zinc/20/42/82/206204282.db2.gz SFUASXMBNIUGOK-DLBZAZTESA-N 1 1 388.475 2.538 40 0 GFABMO COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc(OC)c1 ZINC000012121977 221154746 /nfs/dbraw/zinc/15/47/46/221154746.db2.gz SJHDMOPIJPXPPI-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc(OC)c1 ZINC000012121977 221154750 /nfs/dbraw/zinc/15/47/50/221154750.db2.gz SJHDMOPIJPXPPI-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](CC2=Cc4ccccc4OC2)CC3)CC1 ZINC000072389570 136169276 /nfs/dbraw/zinc/16/92/76/136169276.db2.gz XEDYQBMGKOEJCQ-UHFFFAOYSA-N 1 1 392.503 2.840 40 0 GFABMO C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(NC(=O)C[NH+](C)C)nc3[C@@H](C)[C@H]21 ZINC000003840025 560190082 /nfs/dbraw/zinc/19/00/82/560190082.db2.gz JHFPQPTXQSCVTD-IGICUXDGSA-N 1 1 391.537 2.897 40 0 biogenic,in-vitro GFABMO NC(=O)CN1CCCC[C@H]2C[N@@H+](C[C@@]3(O)CC[C@H](c4ccccc4)CC3)CC[C@H]21 ZINC000585282525 570250436 /nfs/dbraw/zinc/25/04/36/570250436.db2.gz FQPVIHBPPPRQGQ-ZPFZUWPUSA-N 1 1 399.579 2.737 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(NS(C)(=O)=O)c(C)c2)cc1 ZINC000216373684 570300043 /nfs/dbraw/zinc/30/00/43/570300043.db2.gz NGRNRTZBEWRYAI-UHFFFAOYSA-N 1 1 398.488 2.791 40 0 GFABMO O=C(Nc1ccccc1)C1CC[NH+]([C@@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000104278514 570300601 /nfs/dbraw/zinc/30/06/01/570300601.db2.gz LLUKCYRLKMDBNX-LJQANCHMSA-N 1 1 377.444 2.669 40 0 GFABMO CCCCN(CCO)c1nc(N(C)C)nc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000057731556 570371827 /nfs/dbraw/zinc/37/18/27/570371827.db2.gz CAFDNJAVCLZHKI-UHFFFAOYSA-N 1 1 383.540 2.700 40 0 GFABMO CCCCN(CCO)c1nc(N(C)C)nc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000057731556 570371828 /nfs/dbraw/zinc/37/18/28/570371828.db2.gz CAFDNJAVCLZHKI-UHFFFAOYSA-N 1 1 383.540 2.700 40 0 GFABMO COc1cc(C)c(C[N@H+](CCN2CCOCC2)Cc2cccnc2)cc1OC ZINC000022931461 570379303 /nfs/dbraw/zinc/37/93/03/570379303.db2.gz JBEAKMFWFVRPBG-UHFFFAOYSA-N 1 1 385.508 2.742 40 0 GFABMO COc1cc(C)c(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)cc1OC ZINC000022931461 570379306 /nfs/dbraw/zinc/37/93/06/570379306.db2.gz JBEAKMFWFVRPBG-UHFFFAOYSA-N 1 1 385.508 2.742 40 0 GFABMO O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224730280 570527410 /nfs/dbraw/zinc/52/74/10/570527410.db2.gz XENKOELONIDWBN-UHFFFAOYSA-N 1 1 394.924 2.792 40 0 GFABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103277 570931603 /nfs/dbraw/zinc/93/16/03/570931603.db2.gz BHJPOOBGRBCKAV-IBGZPJMESA-N 1 1 398.482 2.759 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)cc1F ZINC000585103022 570931761 /nfs/dbraw/zinc/93/17/61/570931761.db2.gz BHGBGFTZRMXRGX-OALUTQOASA-N 1 1 390.499 2.602 40 0 GFABMO COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019134328 570958342 /nfs/dbraw/zinc/95/83/42/570958342.db2.gz PGMCPVQYJBXLBP-GOSISDBHSA-N 1 1 396.491 2.524 40 0 GFABMO COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@H]3CCC[N@H+]3C)ncc2C1 ZINC000019134328 570958347 /nfs/dbraw/zinc/95/83/47/570958347.db2.gz PGMCPVQYJBXLBP-GOSISDBHSA-N 1 1 396.491 2.524 40 0 GFABMO Cc1nn(C[C@@H](C)C(=O)N2CCC[N@H+](Cc3cccc(C)n3)CC2)c(C)c1C ZINC000019236261 570966194 /nfs/dbraw/zinc/96/61/94/570966194.db2.gz UMUJLSMEMHVRKC-MRXNPFEDSA-N 1 1 383.540 2.882 40 0 GFABMO Cc1nn(C[C@@H](C)C(=O)N2CCC[N@@H+](Cc3cccc(C)n3)CC2)c(C)c1C ZINC000019236261 570966201 /nfs/dbraw/zinc/96/62/01/570966201.db2.gz UMUJLSMEMHVRKC-MRXNPFEDSA-N 1 1 383.540 2.882 40 0 GFABMO Cc1nc(C)n(CC(=O)N2CC[C@H](c3ccccc3)[C@@H]3[C@H]2CCCC[N@@H+]3C)n1 ZINC000019285752 570969695 /nfs/dbraw/zinc/96/96/95/570969695.db2.gz HMRKXDWNLDFNDT-KCZVDYSFSA-N 1 1 381.524 2.764 40 0 GFABMO Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)ccc2n1C ZINC000019286521 570969710 /nfs/dbraw/zinc/96/97/10/570969710.db2.gz FEBBBCGNZZCGSB-HXUWFJFHSA-N 1 1 390.491 2.637 40 0 GFABMO Cn1c2ccc(CN3C[C@@H]4CCC[N@H+]4C[C@@H]3Cc3ccccc3)cc2n(C)c1=O ZINC000019289800 570971495 /nfs/dbraw/zinc/97/14/95/570971495.db2.gz KTARSRHFDKLUFI-SFTDATJTSA-N 1 1 390.531 2.768 40 0 GFABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000019530011 570998516 /nfs/dbraw/zinc/99/85/16/570998516.db2.gz AJRANGSYDNTGTF-KKSFZXQISA-N 1 1 390.455 2.943 40 0 GFABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000019530011 570998520 /nfs/dbraw/zinc/99/85/20/570998520.db2.gz AJRANGSYDNTGTF-KKSFZXQISA-N 1 1 390.455 2.943 40 0 GFABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC ZINC000019549737 571000279 /nfs/dbraw/zinc/00/02/79/571000279.db2.gz RUNHHBIRZCFCIT-MRXNPFEDSA-N 1 1 399.491 2.595 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)n1 ZINC000019572834 571010696 /nfs/dbraw/zinc/01/06/96/571010696.db2.gz OHJCCJNDANRXCJ-MSOLQXFVSA-N 1 1 396.539 2.635 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 ZINC000019590337 571017335 /nfs/dbraw/zinc/01/73/35/571017335.db2.gz OUDRCGKXRVVLGI-LJQANCHMSA-N 1 1 380.492 2.963 40 0 GFABMO COc1ccc(CCC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019590390 571018218 /nfs/dbraw/zinc/01/82/18/571018218.db2.gz QYZLCXYERKQKQV-GOSISDBHSA-N 1 1 394.519 2.812 40 0 GFABMO COc1ccc(CN2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590475 571018251 /nfs/dbraw/zinc/01/82/51/571018251.db2.gz AVZUHSNKJCQCFY-KRWDZBQOSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(CN2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(OC)c1 ZINC000019590475 571018252 /nfs/dbraw/zinc/01/82/52/571018252.db2.gz AVZUHSNKJCQCFY-KRWDZBQOSA-N 1 1 382.508 2.861 40 0 GFABMO COc1cc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1 ZINC000019595082 571021000 /nfs/dbraw/zinc/02/10/00/571021000.db2.gz GGOXEPXUGQRIAV-QGZVFWFLSA-N 1 1 392.459 2.839 40 0 GFABMO Fc1ccc(OC[C@H]2CCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019657881 571024440 /nfs/dbraw/zinc/02/44/40/571024440.db2.gz CGVCPTCQODELHR-KRWDZBQOSA-N 1 1 386.471 2.743 40 0 GFABMO Cc1nc(CC(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)cs1 ZINC000019698331 571030876 /nfs/dbraw/zinc/03/08/76/571030876.db2.gz UNBAHOUGOQGNQJ-HXUWFJFHSA-N 1 1 399.564 2.813 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 ZINC000019710972 571034839 /nfs/dbraw/zinc/03/48/39/571034839.db2.gz OQOJKESJEKFFNS-MRXNPFEDSA-N 1 1 394.523 2.744 40 0 GFABMO CN1[C@@H]2CC[N@H+](C3CCCCC3)[C@@H]2C(=O)NC[C@@H]1CCC(=O)Nc1ccccc1 ZINC000035442483 204220570 /nfs/dbraw/zinc/22/05/70/204220570.db2.gz LIOQSNNYIURFNW-VWPQPMDRSA-N 1 1 398.551 2.611 40 0 biogenic,in-vitro GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)(C)O)C2 ZINC000008665387 204283846 /nfs/dbraw/zinc/28/38/46/204283846.db2.gz MKWFKXIKUBABHP-CWMQWSEUSA-N 1 1 399.531 2.910 40 0 GFABMO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012117931 204373409 /nfs/dbraw/zinc/37/34/09/204373409.db2.gz RISJWZFOBCHBHD-XLIONFOSSA-N 1 1 396.535 2.815 40 0 GFABMO COCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(OC)cc2)C3)cn1 ZINC000012329048 204399395 /nfs/dbraw/zinc/39/93/95/204399395.db2.gz CCFYUFOTUDPNGM-QIDMFYOTSA-N 1 1 383.492 2.689 40 0 GFABMO O=C(c1cc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380622 205339122 /nfs/dbraw/zinc/33/91/22/205339122.db2.gz LPYPVIKKBKYMGW-IBGZPJMESA-N 1 1 382.508 2.694 40 0 GFABMO O=C(c1cc([C@H]2CCC[N@H+](CCCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380622 205339125 /nfs/dbraw/zinc/33/91/25/205339125.db2.gz LPYPVIKKBKYMGW-IBGZPJMESA-N 1 1 382.508 2.694 40 0 GFABMO O=C(c1cc([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380622 205339130 /nfs/dbraw/zinc/33/91/30/205339130.db2.gz LPYPVIKKBKYMGW-IBGZPJMESA-N 1 1 382.508 2.694 40 0 GFABMO C[N@H+]1CC[C@@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 ZINC000072391677 205341415 /nfs/dbraw/zinc/34/14/15/205341415.db2.gz PXEMKAYINYRYOD-QGZVFWFLSA-N 1 1 384.528 2.722 40 0 GFABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCOCC2)Oc2ccccc2N1Cc1ccccn1 ZINC000096111864 206116541 /nfs/dbraw/zinc/11/65/41/206116541.db2.gz LMOQZLBBVDVTTC-ICSRJNTNSA-N 1 1 379.460 2.629 40 0 biogenic,in-vitro GFABMO O=C1N(C2CCOCC2)C[C@H]2C[N@H+](Cc3ccc(-c4ccccn4)cc3)CCN12 ZINC000096269145 206121935 /nfs/dbraw/zinc/12/19/35/206121935.db2.gz HESOXJWMZLMUNN-OAQYLSRUSA-N 1 1 392.503 2.849 40 0 biogenic,in-vitro GFABMO O=C1N(C2CCOCC2)C[C@H]2C[N@@H+](Cc3ccc(-c4ccccn4)cc3)CCN12 ZINC000096269145 206121939 /nfs/dbraw/zinc/12/19/39/206121939.db2.gz HESOXJWMZLMUNN-OAQYLSRUSA-N 1 1 392.503 2.849 40 0 biogenic,in-vitro GFABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1cccc(-c2cnc(N)nc2)n1 ZINC000257308861 206176946 /nfs/dbraw/zinc/17/69/46/206176946.db2.gz TYMQBFZJQAYOON-TUXJCPBXSA-N 1 1 392.507 2.598 40 0 GFABMO COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CC[N@H+]3Cc2ccnn2C)cc1 ZINC000257224243 206162923 /nfs/dbraw/zinc/16/29/23/206162923.db2.gz FAXWXGQFYWYNNC-RTWAWAEBSA-N 1 1 382.508 2.974 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](C1CCC1)C[C@@H]2c1cccnc1 ZINC000306141426 206206616 /nfs/dbraw/zinc/20/66/16/206206616.db2.gz VVQFIAMMUKICLE-TZIWHRDSSA-N 1 1 383.517 2.893 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306142918 206207744 /nfs/dbraw/zinc/20/77/44/206207744.db2.gz XOBXXPYKTDDHQV-SFHVURJKSA-N 1 1 379.512 2.926 40 0 GFABMO CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CC[NH+](Cc3ccco3)CC2)O1 ZINC000306124825 206197651 /nfs/dbraw/zinc/19/76/51/206197651.db2.gz CAMFJKHBYNKMEX-NRFANRHFSA-N 1 1 397.519 2.603 40 0 GFABMO C[N@H+]1CC[C@@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 ZINC000306128437 206198447 /nfs/dbraw/zinc/19/84/47/206198447.db2.gz HAHRJJCEBVKIPS-OAQYLSRUSA-N 1 1 391.500 2.829 40 0 GFABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306128071 206198531 /nfs/dbraw/zinc/19/85/31/206198531.db2.gz GPHRUCIVJDEBJQ-FPOVZHCZSA-N 1 1 383.517 2.750 40 0 GFABMO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306130397 206200060 /nfs/dbraw/zinc/20/00/60/206200060.db2.gz JEYKAWNHDUDBPI-HXUWFJFHSA-N 1 1 376.508 2.818 40 0 GFABMO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306130397 206200064 /nfs/dbraw/zinc/20/00/64/206200064.db2.gz JEYKAWNHDUDBPI-HXUWFJFHSA-N 1 1 376.508 2.818 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306131053 206200876 /nfs/dbraw/zinc/20/08/76/206200876.db2.gz JVIAUTCSXBNKOV-SJORKVTESA-N 1 1 391.450 2.974 40 0 GFABMO CN1CCN(C(=O)c2ccncc2)C[C@@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306134398 206203617 /nfs/dbraw/zinc/20/36/17/206203617.db2.gz NLWFYZRMKGQQKX-OAQYLSRUSA-N 1 1 398.470 2.920 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096050255 136183406 /nfs/dbraw/zinc/18/34/06/136183406.db2.gz OJXLQLMMUMNIBL-QFIPXVFZSA-N 1 1 383.467 2.757 40 0 GFABMO C[NH+](C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(C2CC2)n1 ZINC000329010199 563470047 /nfs/dbraw/zinc/47/00/47/563470047.db2.gz LZYUFDLKZLIUSC-UHFFFAOYSA-N 1 1 382.295 2.927 40 0 GFABMO CNC(=O)[C@@]12CCC3(CCN(C(=O)c4ccc(Cl)cc4)CC3)[C@@H]1C[N@@H+](C)C2 ZINC000096143828 570213480 /nfs/dbraw/zinc/21/34/80/570213480.db2.gz WMYKAHXHKZBESV-LAUBAEHRSA-N 1 1 389.927 2.650 40 0 GFABMO Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000019749795 570215127 /nfs/dbraw/zinc/21/51/27/570215127.db2.gz DXIXSPPDEMEBJL-QGZVFWFLSA-N 1 1 392.500 2.912 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)nc(C(C)C)[nH+]1)CC2 ZINC000329067989 570216456 /nfs/dbraw/zinc/21/64/56/570216456.db2.gz YLOOALLAINEKQP-CQSZACIVSA-N 1 1 386.496 2.973 40 0 GFABMO CCc1ccc(CN2CC[C@@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1 ZINC000096225679 570220479 /nfs/dbraw/zinc/22/04/79/570220479.db2.gz RYUIMIWCOVBLAJ-HSZRJFAPSA-N 1 1 398.551 2.522 40 0 GFABMO COc1cc(OC)cc(OCC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000020044488 570237278 /nfs/dbraw/zinc/23/72/78/570237278.db2.gz RADFFVBMUCDGOG-UHFFFAOYSA-N 1 1 381.432 2.893 40 0 GFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270182 570239153 /nfs/dbraw/zinc/23/91/53/570239153.db2.gz HUKZRHOWUQCKSQ-QFIPXVFZSA-N 1 1 385.508 2.570 40 0 GFABMO O=C(c1ccc(CN2CCCC2=O)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020462032 570260655 /nfs/dbraw/zinc/26/06/55/570260655.db2.gz JDQLAPQKEXPHKJ-UHFFFAOYSA-N 1 1 377.488 2.767 40 0 GFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccco1)C2 ZINC000097952810 570261482 /nfs/dbraw/zinc/26/14/82/570261482.db2.gz HBEIRXXOSVVGDZ-QFIPXVFZSA-N 1 1 396.491 2.868 40 0 GFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccco1)C2 ZINC000097952810 570261486 /nfs/dbraw/zinc/26/14/86/570261486.db2.gz HBEIRXXOSVVGDZ-QFIPXVFZSA-N 1 1 396.491 2.868 40 0 GFABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCOCC3)CC2)nn1C ZINC000100687592 570274646 /nfs/dbraw/zinc/27/46/46/570274646.db2.gz HJLGHZBBCJXSRH-HDICACEKSA-N 1 1 376.545 2.783 40 0 GFABMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057731093 570371798 /nfs/dbraw/zinc/37/17/98/570371798.db2.gz CIHMSIAVMKQSTN-IFXJQAMLSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057731093 570371800 /nfs/dbraw/zinc/37/18/00/570371800.db2.gz CIHMSIAVMKQSTN-IFXJQAMLSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057731093 570371803 /nfs/dbraw/zinc/37/18/03/570371803.db2.gz CIHMSIAVMKQSTN-IFXJQAMLSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000057731093 570371805 /nfs/dbraw/zinc/37/18/05/570371805.db2.gz CIHMSIAVMKQSTN-IFXJQAMLSA-N 1 1 387.480 2.741 40 0 GFABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257290070 570488643 /nfs/dbraw/zinc/48/86/43/570488643.db2.gz QBLLRXBAYLIGKI-QHCPKHFHSA-N 1 1 393.531 2.966 40 0 GFABMO Cc1ccccc1C(=O)NC1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000004910119 570648479 /nfs/dbraw/zinc/64/84/79/570648479.db2.gz SPMYQNOVGJSFBR-UHFFFAOYSA-N 1 1 383.467 2.645 40 0 GFABMO COc1ccc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)c(OC)c1 ZINC000013569035 570850571 /nfs/dbraw/zinc/85/05/71/570850571.db2.gz AETOYUSJGMHEOX-UHFFFAOYSA-N 1 1 385.508 2.823 40 0 GFABMO COc1ccc(C[N@H+](CCCN2CCOCC2)Cc2cccnc2)c(OC)c1 ZINC000013569035 570850575 /nfs/dbraw/zinc/85/05/75/570850575.db2.gz AETOYUSJGMHEOX-UHFFFAOYSA-N 1 1 385.508 2.823 40 0 GFABMO COc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)c(OC)c1 ZINC000013569035 570850576 /nfs/dbraw/zinc/85/05/76/570850576.db2.gz AETOYUSJGMHEOX-UHFFFAOYSA-N 1 1 385.508 2.823 40 0 GFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1ccc(OC)cc1 ZINC000016020343 570909791 /nfs/dbraw/zinc/90/97/91/570909791.db2.gz UKXUAQJQENTZMU-GQWLDOHISA-N 1 1 395.503 2.879 40 0 GFABMO CCCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019502135 570927237 /nfs/dbraw/zinc/92/72/37/570927237.db2.gz KCEVYYSXRGMEHG-NHCUHLMSSA-N 1 1 398.555 2.901 40 0 GFABMO CC[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccccc2F)CC1 ZINC000019528084 570928726 /nfs/dbraw/zinc/92/87/26/570928726.db2.gz OINVIKLRPJPNGQ-NRFANRHFSA-N 1 1 394.498 2.782 40 0 GFABMO Cc1ccc(O[C@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019210825 570960391 /nfs/dbraw/zinc/96/03/91/570960391.db2.gz SBIWDTKVUAMUSE-QGZVFWFLSA-N 1 1 394.519 2.946 40 0 GFABMO Cc1cccc(C[N@H+]2CCCN(C(=O)Cc3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000019236272 570966470 /nfs/dbraw/zinc/96/64/70/570966470.db2.gz DTWCOPPXTNFCFM-SFHVURJKSA-N 1 1 379.504 2.990 40 0 GFABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)Cc3ccc4c(c3)C[C@H](C)O4)CC2)n1 ZINC000019236272 570966473 /nfs/dbraw/zinc/96/64/73/570966473.db2.gz DTWCOPPXTNFCFM-SFHVURJKSA-N 1 1 379.504 2.990 40 0 GFABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3cccnc3)C2)no1 ZINC000019339102 570976645 /nfs/dbraw/zinc/97/66/45/570976645.db2.gz LFFHSGLBODOBDS-SFHVURJKSA-N 1 1 377.448 2.774 40 0 GFABMO O=C(N[C@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400506 570982522 /nfs/dbraw/zinc/98/25/22/570982522.db2.gz KURHUPKLZRHODK-WFXMLNOXSA-N 1 1 380.492 2.696 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cnc(C(C)C)nc4)C3)ncc2C1 ZINC000019454068 570986523 /nfs/dbraw/zinc/98/65/23/570986523.db2.gz FJATYRWMMVUPER-GOSISDBHSA-N 1 1 394.523 2.674 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](Cc4cnc(C(C)C)nc4)C3)ncc2C1 ZINC000019454068 570986528 /nfs/dbraw/zinc/98/65/28/570986528.db2.gz FJATYRWMMVUPER-GOSISDBHSA-N 1 1 394.523 2.674 40 0 GFABMO C[C@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)c2C1 ZINC000019497126 570989840 /nfs/dbraw/zinc/98/98/40/570989840.db2.gz IDEOWRDIRPUADZ-GUYCJALGSA-N 1 1 381.480 2.555 40 0 GFABMO C[C@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497028 570989921 /nfs/dbraw/zinc/98/99/21/570989921.db2.gz GZYOBMMZHZPESJ-HNNXBMFYSA-N 1 1 384.480 2.628 40 0 GFABMO CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019501411 570993055 /nfs/dbraw/zinc/99/30/55/570993055.db2.gz UURIZTSXASSXMM-IBGZPJMESA-N 1 1 395.507 2.989 40 0 GFABMO CCCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019501411 570993057 /nfs/dbraw/zinc/99/30/57/570993057.db2.gz UURIZTSXASSXMM-IBGZPJMESA-N 1 1 395.507 2.989 40 0 GFABMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000019589344 571017471 /nfs/dbraw/zinc/01/74/71/571017471.db2.gz GREDHTBMIOQSCM-YLJYHZDGSA-N 1 1 381.451 2.694 40 0 GFABMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)[C@@H](c2ccccc2)C1 ZINC000019589344 571017472 /nfs/dbraw/zinc/01/74/72/571017472.db2.gz GREDHTBMIOQSCM-YLJYHZDGSA-N 1 1 381.451 2.694 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 ZINC000019590394 571017674 /nfs/dbraw/zinc/01/76/74/571017674.db2.gz BXWUTIHUGQVDAL-QGZVFWFLSA-N 1 1 382.483 2.942 40 0 GFABMO CN(CC1(C)COC1)C(=O)Cn1c(C[NH+]2CCCCCC2)nc2ccccc21 ZINC000019663406 571026508 /nfs/dbraw/zinc/02/65/08/571026508.db2.gz NSTKGJVEOMFHNV-UHFFFAOYSA-N 1 1 384.524 2.907 40 0 GFABMO Cn1nc([C@@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)cc1C[NH+](C)C ZINC000019709118 571033636 /nfs/dbraw/zinc/03/36/36/571033636.db2.gz KIDUNZAWIBOYKG-SFHVURJKSA-N 1 1 384.480 2.620 40 0 GFABMO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCC[N@H+](C)C3)C2)c1 ZINC000019710997 571034573 /nfs/dbraw/zinc/03/45/73/571034573.db2.gz XRGVXBPEKKQLJD-KRWDZBQOSA-N 1 1 397.523 2.596 40 0 GFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccoc1)C2 ZINC000096036254 571096123 /nfs/dbraw/zinc/09/61/23/571096123.db2.gz MJMKBXOTMMTJBP-QFIPXVFZSA-N 1 1 396.491 2.868 40 0 GFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccoc1)C2 ZINC000096036254 571096127 /nfs/dbraw/zinc/09/61/27/571096127.db2.gz MJMKBXOTMMTJBP-QFIPXVFZSA-N 1 1 396.491 2.868 40 0 GFABMO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1cccs1)CCC2 ZINC000096056121 571098083 /nfs/dbraw/zinc/09/80/83/571098083.db2.gz CPFPIXKMICEEKZ-UWJYYQICSA-N 1 1 384.549 2.950 40 0 GFABMO COc1ccc([C@@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC ZINC000095533897 655029982 /nfs/dbraw/zinc/02/99/82/655029982.db2.gz ULSAODZKPMHVBU-CYBMUJFWSA-N 1 1 379.214 2.893 40 0 GFABMO COc1ccc2c3c1O[C@@H]1C4(CC[C@H]5[C@H](C2)[N@H+](CC2CC2)CC[C@@]315)OCCO4 ZINC000005158831 204116409 /nfs/dbraw/zinc/11/64/09/204116409.db2.gz ZKNHXBONWOGIMA-KLDKWKSESA-N 1 1 383.488 2.888 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012087361 204370455 /nfs/dbraw/zinc/37/04/55/204370455.db2.gz KOQSCBQTYJGASY-MRXNPFEDSA-N 1 1 397.504 2.731 40 0 GFABMO COc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2ccccn2)cc2c1OCO2 ZINC000012089075 204371257 /nfs/dbraw/zinc/37/12/57/204371257.db2.gz VFDMEHRACQXZFG-AQKKSAQBSA-N 1 1 382.460 2.939 40 0 GFABMO CCn1c(C[NH+]2CCC(O)(c3ccc4c(c3)OCO4)CC2)cnc1SC ZINC000012116811 204372748 /nfs/dbraw/zinc/37/27/48/204372748.db2.gz TZXSZNLGHQFYKC-UHFFFAOYSA-N 1 1 375.494 2.837 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2cnc(OC)nc2OC)c1 ZINC000012181004 204378812 /nfs/dbraw/zinc/37/88/12/204378812.db2.gz GDLZXWLUADCOAV-AQKKSAQBSA-N 1 1 399.491 2.622 40 0 GFABMO CN(C)c1ccc(CC(=O)N2CCCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019709114 204673563 /nfs/dbraw/zinc/67/35/63/204673563.db2.gz XMWLEGUJYINDHZ-NRFANRHFSA-N 1 1 383.540 2.844 40 0 GFABMO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000038772835 205039414 /nfs/dbraw/zinc/03/94/14/205039414.db2.gz GVAABMPUZZINEP-UHFFFAOYSA-N 1 1 384.461 2.618 40 0 GFABMO CNc1cc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370155 205335557 /nfs/dbraw/zinc/33/55/57/205335557.db2.gz FWWXEMZEECSGAQ-LJQANCHMSA-N 1 1 381.524 2.919 40 0 GFABMO CC[NH+]1CCN(C(=O)CCc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 ZINC000225805524 206078174 /nfs/dbraw/zinc/07/81/74/206078174.db2.gz IFDHHXGAUPEEBK-UHFFFAOYSA-N 1 1 382.386 2.852 40 0 GFABMO COC(=O)[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000225901552 206083560 /nfs/dbraw/zinc/08/35/60/206083560.db2.gz MNZJUSUFFPHZGL-WIYYLYMNSA-N 1 1 394.471 2.866 40 0 GFABMO COCC[N@@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000247972164 206134868 /nfs/dbraw/zinc/13/48/68/206134868.db2.gz HSGRKVMRIIHTOE-JTSKRJEESA-N 1 1 385.508 2.757 40 0 GFABMO Cc1c(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCC[N@H+]3C)sc2ncn(C)c(=O)c12 ZINC000257200417 206156968 /nfs/dbraw/zinc/15/69/68/206156968.db2.gz ADFYYJVTBKJHLG-XOBRGWDASA-N 1 1 388.537 2.782 40 0 GFABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 ZINC000257215289 206161191 /nfs/dbraw/zinc/16/11/91/206161191.db2.gz CPMCCBSXOJXFFU-RDJZCZTQSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 ZINC000257215289 206161193 /nfs/dbraw/zinc/16/11/93/206161193.db2.gz CPMCCBSXOJXFFU-RDJZCZTQSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@]12CCCO2 ZINC000257215287 206161608 /nfs/dbraw/zinc/16/16/08/206161608.db2.gz CPMCCBSXOJXFFU-DOTOQJQBSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@]12CCCO2 ZINC000257215287 206161613 /nfs/dbraw/zinc/16/16/13/206161613.db2.gz CPMCCBSXOJXFFU-DOTOQJQBSA-N 1 1 383.286 2.658 40 0 GFABMO C[C@]1(O)C[N@H+](CC(=O)N2CCc3ccccc32)CC[C@@H]1Oc1cccc(F)c1 ZINC000257291618 206172749 /nfs/dbraw/zinc/17/27/49/206172749.db2.gz QHWLEKFSNATYRB-UNMCSNQZSA-N 1 1 384.451 2.619 40 0 GFABMO C[C@]1(O)C[N@@H+](CC(=O)N2CCc3ccccc32)CC[C@@H]1Oc1cccc(F)c1 ZINC000257291618 206172754 /nfs/dbraw/zinc/17/27/54/206172754.db2.gz QHWLEKFSNATYRB-UNMCSNQZSA-N 1 1 384.451 2.619 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2ccc(O)cc2)CC1 ZINC000257306306 206177169 /nfs/dbraw/zinc/17/71/69/206177169.db2.gz STTPRSHOYRFTAT-QHCPKHFHSA-N 1 1 397.519 2.595 40 0 GFABMO Cc1ncc(-c2ccc(C[C@@H]3CCC[N@@H+](CC4(O)CCOCC4)C3)cn2)n1C ZINC000257223950 206162955 /nfs/dbraw/zinc/16/29/55/206162955.db2.gz DZQJMDIUUBGDLH-IBGZPJMESA-N 1 1 384.524 2.587 40 0 GFABMO Cc1nc(-c2cccc(NC(=O)C[N@@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)c2)cs1 ZINC000257244389 206166514 /nfs/dbraw/zinc/16/65/14/206166514.db2.gz ILBPBNKZJFONFU-ICSRJNTNSA-N 1 1 387.505 2.673 40 0 GFABMO Cc1nc(-c2cccc(NC(=O)C[N@H+]3CC[C@@]4(CCCO4)[C@@H](O)C3)c2)cs1 ZINC000257244389 206166517 /nfs/dbraw/zinc/16/65/17/206166517.db2.gz ILBPBNKZJFONFU-ICSRJNTNSA-N 1 1 387.505 2.673 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140246 206204534 /nfs/dbraw/zinc/20/45/34/206204534.db2.gz UNVDHILINJPFTH-TZIWHRDSSA-N 1 1 383.517 2.750 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCCC5)cn4n3)C2)cn1 ZINC000306142917 206206504 /nfs/dbraw/zinc/20/65/04/206206504.db2.gz XOBXXPYKTDDHQV-GOSISDBHSA-N 1 1 379.512 2.926 40 0 GFABMO CN1CC[N@H+](Cc2ccncc2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306141583 206207620 /nfs/dbraw/zinc/20/76/20/206207620.db2.gz WBAVHBSAAKGJRS-HXUWFJFHSA-N 1 1 376.508 2.818 40 0 GFABMO CN1CC[N@@H+](Cc2ccncc2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306141583 206207624 /nfs/dbraw/zinc/20/76/24/206207624.db2.gz WBAVHBSAAKGJRS-HXUWFJFHSA-N 1 1 376.508 2.818 40 0 GFABMO CC(C)n1ccc(-c2nc(C(=O)NCCC[NH+]3CCOCC3)c3ccccn32)c1 ZINC000306125247 206196193 /nfs/dbraw/zinc/19/61/93/206196193.db2.gz CKHMJCPPAKXBBW-UHFFFAOYSA-N 1 1 395.507 2.836 40 0 GFABMO O=C(NCc1cccnc1)c1ncc2n1C[C@H]1C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306129122 206199593 /nfs/dbraw/zinc/19/95/93/206199593.db2.gz HVCBCEUSPKROKP-IEBWSBKVSA-N 1 1 391.450 2.576 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306133255 206200942 /nfs/dbraw/zinc/20/09/42/206200942.db2.gz MGUDTYBXZFRPQL-CABCVRRESA-N 1 1 379.489 2.896 40 0 GFABMO CCNC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134131 206202750 /nfs/dbraw/zinc/20/27/50/206202750.db2.gz NEBFHRAJPYSJBH-CTNGQTDRSA-N 1 1 391.512 2.624 40 0 GFABMO CCNC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134131 206202751 /nfs/dbraw/zinc/20/27/51/206202751.db2.gz NEBFHRAJPYSJBH-CTNGQTDRSA-N 1 1 391.512 2.624 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)cc1 ZINC000306135769 206203072 /nfs/dbraw/zinc/20/30/72/206203072.db2.gz PADGUJWXOZCWEE-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)cc1 ZINC000306135769 206203075 /nfs/dbraw/zinc/20/30/75/206203075.db2.gz PADGUJWXOZCWEE-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO O=C1CO[C@H]2C[N@H+](Cc3c[nH]c4ccccc34)C[C@H]2N1Cc1ccc(F)cc1 ZINC000067897181 222167292 /nfs/dbraw/zinc/16/72/92/222167292.db2.gz JWPHLGPHPITXMG-RTWAWAEBSA-N 1 1 379.435 2.919 40 0 biogenic,in-vitro GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 ZINC000034406449 560087114 /nfs/dbraw/zinc/08/71/14/560087114.db2.gz HXFDWGKUUFPMRG-CWMQWSEUSA-N 1 1 397.515 2.686 40 0 biogenic,in-vitro GFABMO Cn1nc(C(=O)N2CCC[C@]3(C2)COCC[N@@H+](CC2CC2)C3)c2ccccc21 ZINC000096228792 570221399 /nfs/dbraw/zinc/22/13/99/570221399.db2.gz RXKIBWDDAYBQNB-QFIPXVFZSA-N 1 1 382.508 2.538 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244250 570223531 /nfs/dbraw/zinc/22/35/31/570223531.db2.gz POMVQNIOTSQTOU-OAQYLSRUSA-N 1 1 377.448 2.817 40 0 GFABMO Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)Nc2ccccc2)c1 ZINC000096251068 570224422 /nfs/dbraw/zinc/22/44/22/570224422.db2.gz CKQJZEJJBZSUSU-NJDAHSKKSA-N 1 1 398.528 2.869 40 0 GFABMO Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)Nc2ccccc2)c1 ZINC000096251068 570224425 /nfs/dbraw/zinc/22/44/25/570224425.db2.gz CKQJZEJJBZSUSU-NJDAHSKKSA-N 1 1 398.528 2.869 40 0 GFABMO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(S(=O)(=O)c1ccccc1)CC2 ZINC000096255949 570225310 /nfs/dbraw/zinc/22/53/10/570225310.db2.gz XALLDSWKWMLWEA-UHFFFAOYSA-N 1 1 388.537 2.807 40 0 GFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3cccc(F)c3)CC2)cc1 ZINC000585274784 570243890 /nfs/dbraw/zinc/24/38/90/570243890.db2.gz ZORSGNMIOFZQON-UHFFFAOYSA-N 1 1 386.467 2.656 40 0 GFABMO CCN1C[C@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000097952787 570261466 /nfs/dbraw/zinc/26/14/66/570261466.db2.gz RXXMMQACVFTBDX-HXUWFJFHSA-N 1 1 377.554 2.595 40 0 GFABMO C[C@@H]1CC[N@@H+](CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000022588531 570322115 /nfs/dbraw/zinc/32/21/15/570322115.db2.gz DXHCKJUCLLXPRL-HXUWFJFHSA-N 1 1 396.531 2.882 40 0 GFABMO C[C@@H]1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000022588531 570322117 /nfs/dbraw/zinc/32/21/17/570322117.db2.gz DXHCKJUCLLXPRL-HXUWFJFHSA-N 1 1 396.531 2.882 40 0 GFABMO C[C@@H]1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000022588531 570322121 /nfs/dbraw/zinc/32/21/21/570322121.db2.gz DXHCKJUCLLXPRL-HXUWFJFHSA-N 1 1 396.531 2.882 40 0 GFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101370364 570715312 /nfs/dbraw/zinc/71/53/12/570715312.db2.gz FIYSNFKLNQPDMP-CEXWTWQISA-N 1 1 396.535 2.803 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100262 570923860 /nfs/dbraw/zinc/92/38/60/570923860.db2.gz JDRQVBWUEDYOCU-HSZRJFAPSA-N 1 1 399.535 2.665 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1F ZINC000585104899 570934220 /nfs/dbraw/zinc/93/42/20/570934220.db2.gz WJZJLGLGULKKHW-OALUTQOASA-N 1 1 390.499 2.602 40 0 GFABMO O=C(c1ccccc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106309 570936269 /nfs/dbraw/zinc/93/62/69/570936269.db2.gz QROVNEITNYHZBZ-RTWAWAEBSA-N 1 1 389.499 2.539 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585106312 570936461 /nfs/dbraw/zinc/93/64/61/570936461.db2.gz SEJPQSXDYPFOBN-SXLOBPIMSA-N 1 1 383.536 2.836 40 0 GFABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000585109793 570938619 /nfs/dbraw/zinc/93/86/19/570938619.db2.gz URAPNRKVMLTZQX-QNWVGRARSA-N 1 1 380.488 2.736 40 0 GFABMO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107895 570939787 /nfs/dbraw/zinc/93/97/87/570939787.db2.gz CQQMRIZIHURUTE-FXAWDEMLSA-N 1 1 378.538 2.970 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019079324 570955606 /nfs/dbraw/zinc/95/56/06/570955606.db2.gz QCHREHBMHBYQFG-MGPUTAFESA-N 1 1 396.491 2.604 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019079324 570955610 /nfs/dbraw/zinc/95/56/10/570955610.db2.gz QCHREHBMHBYQFG-MGPUTAFESA-N 1 1 396.491 2.604 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)c2nccnc21 ZINC000019213926 570961299 /nfs/dbraw/zinc/96/12/99/570961299.db2.gz LRNALZJKJIVDSZ-IBGZPJMESA-N 1 1 392.507 2.569 40 0 GFABMO Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019236042 570966580 /nfs/dbraw/zinc/96/65/80/570966580.db2.gz LFBDPYHAELTWKF-GOSISDBHSA-N 1 1 394.519 2.866 40 0 GFABMO Cc1ccccc1CC(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019237067 570966965 /nfs/dbraw/zinc/96/69/65/570966965.db2.gz DHMATQGMYYVBSO-HXUWFJFHSA-N 1 1 394.519 2.751 40 0 GFABMO COc1cccc(C[N@H+]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC ZINC000019239186 570968417 /nfs/dbraw/zinc/96/84/17/570968417.db2.gz SLPMWGBHFGUDMX-HNNXBMFYSA-N 1 1 381.436 2.842 40 0 GFABMO Cc1nc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)ccc2n1C ZINC000019286519 570969575 /nfs/dbraw/zinc/96/95/75/570969575.db2.gz FEBBBCGNZZCGSB-FQEVSTJZSA-N 1 1 390.491 2.637 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019288058 570970626 /nfs/dbraw/zinc/97/06/26/570970626.db2.gz AVLWEOOUUBKIGO-GCJKJVERSA-N 1 1 396.491 2.603 40 0 GFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3cccc(F)c3F)C[C@H]2c2cccc(F)c2)N1 ZINC000019294279 570973432 /nfs/dbraw/zinc/97/34/32/570973432.db2.gz SRVHZLQEHKPZKJ-UWJYYQICSA-N 1 1 390.405 2.979 40 0 GFABMO O=C1CCOC[C@]2(C[N@H+](Cc3cccc(F)c3F)C[C@H]2c2cccc(F)c2)N1 ZINC000019294279 570973438 /nfs/dbraw/zinc/97/34/38/570973438.db2.gz SRVHZLQEHKPZKJ-UWJYYQICSA-N 1 1 390.405 2.979 40 0 GFABMO CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)[nH]n1 ZINC000019447407 570984266 /nfs/dbraw/zinc/98/42/66/570984266.db2.gz YAXULIYNOJXTMZ-IBGZPJMESA-N 1 1 382.512 2.754 40 0 GFABMO CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n[nH]1 ZINC000019447407 570984270 /nfs/dbraw/zinc/98/42/70/570984270.db2.gz YAXULIYNOJXTMZ-IBGZPJMESA-N 1 1 382.512 2.754 40 0 GFABMO CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)n[nH]1 ZINC000019447407 570984274 /nfs/dbraw/zinc/98/42/74/570984274.db2.gz YAXULIYNOJXTMZ-IBGZPJMESA-N 1 1 382.512 2.754 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 ZINC000019448299 570984942 /nfs/dbraw/zinc/98/49/42/570984942.db2.gz HPFMJTIDJJHBJI-GOSISDBHSA-N 1 1 384.455 2.653 40 0 GFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N4CCC[C@H](C)C4)ccc3c(=O)n2CC1 ZINC000019496477 570989330 /nfs/dbraw/zinc/98/93/30/570989330.db2.gz SGOVPTADLNHBAA-INIZCTEOSA-N 1 1 382.508 2.535 40 0 GFABMO Cc1c(C[N@@H+]2CCC[C@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C ZINC000019553650 571002097 /nfs/dbraw/zinc/00/20/97/571002097.db2.gz UOSKGSDQLDNTMQ-KRWDZBQOSA-N 1 1 385.512 2.968 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560834 571005538 /nfs/dbraw/zinc/00/55/38/571005538.db2.gz YQLRXRUOAUIFNF-KRWDZBQOSA-N 1 1 392.459 2.839 40 0 GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)n1 ZINC000019572956 571010771 /nfs/dbraw/zinc/01/07/71/571010771.db2.gz RAUMBXGHZARRDO-ROUUACIJSA-N 1 1 396.539 2.635 40 0 GFABMO CN(C)c1cccc(C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019590695 571018652 /nfs/dbraw/zinc/01/86/52/571018652.db2.gz PTXHRILZJVERMV-UHFFFAOYSA-N 1 1 379.508 2.550 40 0 GFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccoc1)CC3 ZINC000096036323 571096168 /nfs/dbraw/zinc/09/61/68/571096168.db2.gz JJITZYSDJBPLBS-WMZHIEFXSA-N 1 1 399.535 2.856 40 0 GFABMO Cc1nc(CN2CCOC[C@]3(C[N@H+](Cc4cccs4)CCO3)C2)cs1 ZINC000096049805 571097345 /nfs/dbraw/zinc/09/73/45/571097345.db2.gz CKKXNDVIUVXYQS-GOSISDBHSA-N 1 1 379.551 2.616 40 0 GFABMO Cc1nc(CN2CCOC[C@]3(C[N@@H+](Cc4cccs4)CCO3)C2)cs1 ZINC000096049805 571097347 /nfs/dbraw/zinc/09/73/47/571097347.db2.gz CKKXNDVIUVXYQS-GOSISDBHSA-N 1 1 379.551 2.616 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccc(C)o1)CCC2 ZINC000096056057 571098138 /nfs/dbraw/zinc/09/81/38/571098138.db2.gz QZXPRXVVQQJGSR-UWJYYQICSA-N 1 1 384.480 2.660 40 0 GFABMO COc1ccc2[nH]c([C@H]3CC[N@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000035446823 204226192 /nfs/dbraw/zinc/22/61/92/204226192.db2.gz WYHCQLWYRFUULF-HNNXBMFYSA-N 1 1 385.489 2.965 40 0 biogenic,in-vitro GFABMO COc1ccc2[nH]c([C@H]3CC[N@@H+](Cc4ccc(S(C)(=O)=O)cc4)C3)nc2c1 ZINC000035446823 204226197 /nfs/dbraw/zinc/22/61/97/204226197.db2.gz WYHCQLWYRFUULF-HNNXBMFYSA-N 1 1 385.489 2.965 40 0 biogenic,in-vitro GFABMO CC[C@@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188615 204379083 /nfs/dbraw/zinc/37/90/83/204379083.db2.gz ZXLXAZGQEUYWNL-HXUWFJFHSA-N 1 1 383.492 2.693 40 0 GFABMO CC[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188615 204379085 /nfs/dbraw/zinc/37/90/85/204379085.db2.gz ZXLXAZGQEUYWNL-HXUWFJFHSA-N 1 1 383.492 2.693 40 0 GFABMO Cc1nc(C)c(C(=O)NCC[NH+]2CCC(O)(c3ccc(F)cc3)CC2)s1 ZINC000012326172 204396791 /nfs/dbraw/zinc/39/67/91/204396791.db2.gz HUJNQTMSCCCNMS-UHFFFAOYSA-N 1 1 377.485 2.612 40 0 GFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000072339855 205328307 /nfs/dbraw/zinc/32/83/07/205328307.db2.gz VQUVFWPEHFCQSL-UHFFFAOYSA-N 1 1 384.443 2.988 40 0 GFABMO O=c1[nH]c(-c2cccnc2)nc2c1C[N@@H+](Cc1cccn1-c1cccnc1)CC2 ZINC000072339855 205328312 /nfs/dbraw/zinc/32/83/12/205328312.db2.gz VQUVFWPEHFCQSL-UHFFFAOYSA-N 1 1 384.443 2.988 40 0 GFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000225618553 206060016 /nfs/dbraw/zinc/06/00/16/206060016.db2.gz FCUDICJRXRDPNG-INIZCTEOSA-N 1 1 382.526 2.715 40 0 GFABMO COc1ccc(CN2C[C@H]3C[N@H+](Cc4ccccc4OC)CCN3C2=O)cc1 ZINC000096269124 206121954 /nfs/dbraw/zinc/12/19/54/206121954.db2.gz IKUYYONSOHYCLN-LJQANCHMSA-N 1 1 381.476 2.826 40 0 biogenic,in-vitro GFABMO COc1ccc(CN2C[C@H]3C[N@@H+](Cc4ccccc4OC)CCN3C2=O)cc1 ZINC000096269124 206121957 /nfs/dbraw/zinc/12/19/57/206121957.db2.gz IKUYYONSOHYCLN-LJQANCHMSA-N 1 1 381.476 2.826 40 0 biogenic,in-vitro GFABMO COC[C@H]1CN(C(=O)c2ccco2)CC12CC[NH+](Cc1nccs1)CC2 ZINC000247884144 206137017 /nfs/dbraw/zinc/13/70/17/206137017.db2.gz RBYVMQXHHQGNMH-OAHLLOKOSA-N 1 1 375.494 2.737 40 0 GFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@]2(C[C@@H](Oc3cccc(F)c3)CO2)C1 ZINC000257309689 206176436 /nfs/dbraw/zinc/17/64/36/206176436.db2.gz UBYITQXZKJRMKO-WIYYLYMNSA-N 1 1 387.455 2.814 40 0 GFABMO Cc1cccc(C[NH+]2CCN(c3nccn4c(-c5cccnc5)cnc34)CC2)n1 ZINC000306143949 206207352 /nfs/dbraw/zinc/20/73/52/206207352.db2.gz YRQBXEVXEQKAFD-UHFFFAOYSA-N 1 1 385.475 2.817 40 0 GFABMO CC(C)N1C[C@]2(CC[N@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306125201 206196656 /nfs/dbraw/zinc/19/66/56/206196656.db2.gz CJAYXMIBSWRJLX-HXUWFJFHSA-N 1 1 387.505 2.518 40 0 GFABMO CC(C)N1C[C@]2(CC[N@@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306125201 206196660 /nfs/dbraw/zinc/19/66/60/206196660.db2.gz CJAYXMIBSWRJLX-HXUWFJFHSA-N 1 1 387.505 2.518 40 0 GFABMO CN(C)C(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306130013 206199771 /nfs/dbraw/zinc/19/97/71/206199771.db2.gz ITYQRUFEZCBNLH-MRXNPFEDSA-N 1 1 381.455 2.950 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306131087 206201353 /nfs/dbraw/zinc/20/13/53/206201353.db2.gz JWDBWYNCCMBXFT-UONOGXRCSA-N 1 1 381.411 2.567 40 0 GFABMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264303 206219281 /nfs/dbraw/zinc/21/92/81/206219281.db2.gz HCEAKIKVACDQQZ-VOQZNFBZSA-N 1 1 390.524 2.985 40 0 GFABMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264303 206219283 /nfs/dbraw/zinc/21/92/83/206219283.db2.gz HCEAKIKVACDQQZ-VOQZNFBZSA-N 1 1 390.524 2.985 40 0 GFABMO NCC1(C[NH3+])[C@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218473807 553053800 /nfs/dbraw/zinc/05/38/00/553053800.db2.gz KVUJHVCOAZYBNB-CVEARBPZSA-N 1 1 385.316 2.837 40 0 GFABMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)(C)O)C2 ZINC000166641571 560044313 /nfs/dbraw/zinc/04/43/13/560044313.db2.gz HXFDWGKUUFPMRG-VWUQPSBSSA-N 1 1 397.515 2.686 40 0 biogenic,in-vitro GFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4)C[C@@H]3C2)cc1F ZINC000096080850 570210078 /nfs/dbraw/zinc/21/00/78/570210078.db2.gz WMXUYNRALCOTFV-CALCHBBNSA-N 1 1 390.480 2.587 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](C)CO)[nH+]c(C3CC3)n1)CC2 ZINC000329043627 570214888 /nfs/dbraw/zinc/21/48/88/570214888.db2.gz SSSGVDSQOXGXJB-ZDUSSCGKSA-N 1 1 384.480 2.727 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](C)CO)nc(C3CC3)[nH+]1)CC2 ZINC000329043627 570214891 /nfs/dbraw/zinc/21/48/91/570214891.db2.gz SSSGVDSQOXGXJB-ZDUSSCGKSA-N 1 1 384.480 2.727 40 0 GFABMO Cn1nc(C(=O)N2CCC[C@@]3(C2)COCC[N@@H+](CC2CC2)C3)c2ccccc21 ZINC000096228793 570221426 /nfs/dbraw/zinc/22/14/26/570221426.db2.gz RXKIBWDDAYBQNB-JOCHJYFZSA-N 1 1 382.508 2.538 40 0 GFABMO CC(C)NC(=O)c1cc2c(nc1N(C)C)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260342 570225387 /nfs/dbraw/zinc/22/53/87/570225387.db2.gz CNZCKYOKSKOZBM-UHFFFAOYSA-N 1 1 380.536 2.929 40 0 GFABMO Cc1cc(C)cc(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585288073 570258998 /nfs/dbraw/zinc/25/89/98/570258998.db2.gz VLYMCZNCUOEMGC-UNMCSNQZSA-N 1 1 377.525 2.565 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2nc3cc(Br)ccc3[nH]2)CC1 ZINC000020765400 570282913 /nfs/dbraw/zinc/28/29/13/570282913.db2.gz ZKTLEWWVGLHDQY-UHFFFAOYSA-N 1 1 397.342 2.972 40 0 GFABMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000057731187 570371725 /nfs/dbraw/zinc/37/17/25/570371725.db2.gz CFUBRAONLUWDQV-IFXJQAMLSA-N 1 1 387.480 2.598 40 0 GFABMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000057731187 570371727 /nfs/dbraw/zinc/37/17/27/570371727.db2.gz CFUBRAONLUWDQV-IFXJQAMLSA-N 1 1 387.480 2.598 40 0 GFABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)CC1 ZINC000000920698 570536578 /nfs/dbraw/zinc/53/65/78/570536578.db2.gz RZNIZYBQXXLNPY-UHFFFAOYSA-N 1 1 393.553 2.968 40 0 GFABMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CO)c3c1[C@@H](C2)[N@H+](C)CC3 ZINC000001068991 570537186 /nfs/dbraw/zinc/53/71/86/570537186.db2.gz FRSRMZNTUGSNRW-MRXNPFEDSA-N 1 1 385.460 2.965 40 0 GFABMO COc1cc2c(cc1OC)-c1c(OC)c(OC)c(CO)c3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000001068991 570537187 /nfs/dbraw/zinc/53/71/87/570537187.db2.gz FRSRMZNTUGSNRW-MRXNPFEDSA-N 1 1 385.460 2.965 40 0 GFABMO CCC[N@H+]1C[C@H](NC(=O)Cc2ccc3c(c2)OCO3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364772 570646729 /nfs/dbraw/zinc/64/67/29/570646729.db2.gz KFOYXHFCBZKNLV-UXHICEINSA-N 1 1 396.487 2.961 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)cc1F ZINC000585103018 570931651 /nfs/dbraw/zinc/93/16/51/570931651.db2.gz BHGBGFTZRMXRGX-MOPGFXCFSA-N 1 1 390.499 2.602 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585106311 570936337 /nfs/dbraw/zinc/93/63/37/570936337.db2.gz SEJPQSXDYPFOBN-RLLQIKCJSA-N 1 1 383.536 2.836 40 0 GFABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CCOc3cccc(F)c3)C[C@@H]21 ZINC000585109796 570938728 /nfs/dbraw/zinc/93/87/28/570938728.db2.gz VDCVYPRRYNTXRO-JAXLGGSGSA-N 1 1 384.451 2.737 40 0 GFABMO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019014526 570954164 /nfs/dbraw/zinc/95/41/64/570954164.db2.gz IFKPUVIUSVTEBX-MRXNPFEDSA-N 1 1 384.524 2.577 40 0 GFABMO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019078495 570955796 /nfs/dbraw/zinc/95/57/96/570955796.db2.gz RPDOHJNRDBCLNW-HZPDHXFCSA-N 1 1 398.482 2.777 40 0 GFABMO CSc1nnc([C@@H]2CCCN2C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)n1C ZINC000019289263 570971442 /nfs/dbraw/zinc/97/14/42/570971442.db2.gz LOJWZXJXBIXBNQ-LSDHHAIUSA-N 1 1 377.489 2.643 40 0 GFABMO CC(C)c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc(N3CCCC3=O)cc1)CC2 ZINC000019453759 570986618 /nfs/dbraw/zinc/98/66/18/570986618.db2.gz UKENSTYUDIQRMI-UHFFFAOYSA-N 1 1 380.492 2.621 40 0 GFABMO CCN1CC[NH+](CCCNc2ncc(-c3cnccn3)c(-c3ccco3)n2)CC1 ZINC000019528194 570998129 /nfs/dbraw/zinc/99/81/29/570998129.db2.gz OBVTZGGLTZYQLP-UHFFFAOYSA-N 1 1 393.495 2.633 40 0 GFABMO CCOc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019532823 570999329 /nfs/dbraw/zinc/99/93/29/570999329.db2.gz YIFGGZYBIJEEME-UHFFFAOYSA-N 1 1 394.519 2.812 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552206 571001275 /nfs/dbraw/zinc/00/12/75/571001275.db2.gz JEBWQWJFFQZYIR-QGZVFWFLSA-N 1 1 392.459 2.839 40 0 GFABMO COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1C ZINC000019571077 571009635 /nfs/dbraw/zinc/00/96/35/571009635.db2.gz LPMSWQCTNDCYDD-UHFFFAOYSA-N 1 1 394.519 2.730 40 0 GFABMO COc1ncc(C[N@@H+]2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019572124 571010297 /nfs/dbraw/zinc/01/02/97/571010297.db2.gz NVEPPHORIAFPBH-AWEZNQCLSA-N 1 1 383.477 2.677 40 0 in-vitro GFABMO COc1ncc(C[N@H+]2CCC[C@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019572124 571010301 /nfs/dbraw/zinc/01/03/01/571010301.db2.gz NVEPPHORIAFPBH-AWEZNQCLSA-N 1 1 383.477 2.677 40 0 in-vitro GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)n1 ZINC000019572728 571010606 /nfs/dbraw/zinc/01/06/06/571010606.db2.gz WKWUZCRYGOZGCC-KRWDZBQOSA-N 1 1 396.539 2.635 40 0 GFABMO COc1cccc(C[N@@H+]2CCN(C(=O)CCn3nnc4ccccc43)[C@@H](C)C2)c1 ZINC000019575576 571011489 /nfs/dbraw/zinc/01/14/89/571011489.db2.gz LPAICYDKISVQMB-KRWDZBQOSA-N 1 1 393.491 2.563 40 0 GFABMO COc1cccc(C[N@H+]2CCN(C(=O)CCn3nnc4ccccc43)[C@@H](C)C2)c1 ZINC000019575576 571011495 /nfs/dbraw/zinc/01/14/95/571011495.db2.gz LPAICYDKISVQMB-KRWDZBQOSA-N 1 1 393.491 2.563 40 0 GFABMO C[N@H+]1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)CCCN1CCOCC1 ZINC000019590178 571016983 /nfs/dbraw/zinc/01/69/83/571016983.db2.gz QDDOWJWSEWKEEQ-CQOQZXRMSA-N 1 1 399.579 2.968 40 0 GFABMO COc1ccc(CN2CCN(C3CCCC3)C(=O)C2)cc1Cn1cc[nH+]c1C ZINC000019656818 571023842 /nfs/dbraw/zinc/02/38/42/571023842.db2.gz LSXTUETWBFQFOB-UHFFFAOYSA-N 1 1 382.508 2.835 40 0 GFABMO c1ccc2[nH]c(C[C@H]3CCC[N@@H+](Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 ZINC000019657873 571024539 /nfs/dbraw/zinc/02/45/39/571024539.db2.gz RDBMPZKJVUTKEL-QGZVFWFLSA-N 1 1 392.507 2.644 40 0 GFABMO Cc1c(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccs3)CC2)cnn1C ZINC000019553724 204654139 /nfs/dbraw/zinc/65/41/39/204654139.db2.gz CSBYONGNMSMNAA-IBGZPJMESA-N 1 1 383.521 2.589 40 0 GFABMO COc1ccc(CCC(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000047276342 205109452 /nfs/dbraw/zinc/10/94/52/205109452.db2.gz BFDVZTNHGQIUEL-UHFFFAOYSA-N 1 1 398.503 2.785 40 0 GFABMO CCn1c(CCCC(=O)N[C@@H]2CC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257322941 206179405 /nfs/dbraw/zinc/17/94/05/206179405.db2.gz WIDHPFUUGLPLDN-SFGWALBWSA-N 1 1 395.507 2.765 40 0 GFABMO CCNC(=O)NC[C@H]1CC[C@]2(COCC[N@@H+](CC[C@H](C)c3ccc(C)o3)C2)O1 ZINC000306140747 206205726 /nfs/dbraw/zinc/20/57/26/206205726.db2.gz VDBFUCMHONFVSL-CDXJDZJCSA-N 1 1 393.528 2.651 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000306124315 206196326 /nfs/dbraw/zinc/19/63/26/206196326.db2.gz BMMYKKYWDIUCNR-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000306124315 206196331 /nfs/dbraw/zinc/19/63/31/206196331.db2.gz BMMYKKYWDIUCNR-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306128073 206199734 /nfs/dbraw/zinc/19/97/34/206199734.db2.gz GPHRUCIVJDEBJQ-TZIWHRDSSA-N 1 1 383.517 2.750 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3ccco3)C2)Oc2ccccc2S1(=O)=O ZINC000306134536 206202684 /nfs/dbraw/zinc/20/26/84/206202684.db2.gz NQOWHFLIKUGEQQ-IBGZPJMESA-N 1 1 376.478 2.716 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3ccco3)C2)Oc2ccccc2S1(=O)=O ZINC000306134536 206202686 /nfs/dbraw/zinc/20/26/86/206202686.db2.gz NQOWHFLIKUGEQQ-IBGZPJMESA-N 1 1 376.478 2.716 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(c2ccccc2)C(=O)CN3C(C)=O)cc1 ZINC000096050146 136183383 /nfs/dbraw/zinc/18/33/83/136183383.db2.gz PWHPAHJULAFVRP-HSZRJFAPSA-N 1 1 393.487 2.535 40 0 GFABMO CN(C)C(=O)[C@]12C[N@@H+](Cc3cccc(Cl)c3)C[C@H]1N(c1ncccn1)CCC2 ZINC000096251157 136185677 /nfs/dbraw/zinc/18/56/77/136185677.db2.gz ICGWCGNKOMVNGH-WIYYLYMNSA-N 1 1 399.926 2.689 40 0 GFABMO Cc1nc(N2CCc3ccc(S(N)(=O)=O)cc3C2)cc(Nc2ccccc2)[nH+]1 ZINC000329049527 570215224 /nfs/dbraw/zinc/21/52/24/570215224.db2.gz UPHHTNUDADZFPE-UHFFFAOYSA-N 1 1 395.488 2.739 40 0 GFABMO CC(C)c1ccc(CN2CC[C@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1 ZINC000096225592 570220503 /nfs/dbraw/zinc/22/05/03/570220503.db2.gz IZJNOFFGHOJYAE-QHCPKHFHSA-N 1 1 398.551 2.743 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244214 570223541 /nfs/dbraw/zinc/22/35/41/570223541.db2.gz IIHJBTYHCOJUTN-OAQYLSRUSA-N 1 1 395.463 2.960 40 0 GFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000020105644 570239734 /nfs/dbraw/zinc/23/97/34/570239734.db2.gz BDPYAAFNWLNOJI-SFHVURJKSA-N 1 1 382.526 2.547 40 0 GFABMO COC(=O)c1ccc(CS(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000020111958 570241070 /nfs/dbraw/zinc/24/10/70/570241070.db2.gz UAEAAPLCDZJTNB-UHFFFAOYSA-N 1 1 399.472 2.587 40 0 GFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)cc1 ZINC000585272963 570241482 /nfs/dbraw/zinc/24/14/82/570241482.db2.gz LTZBPUOWMLCQCY-UHFFFAOYSA-N 1 1 386.467 2.656 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(Cc3ccc(C)c(C)c3)o2)CC1 ZINC000020196957 570247036 /nfs/dbraw/zinc/24/70/36/570247036.db2.gz GUEAKGZWJBSUOL-UHFFFAOYSA-N 1 1 388.537 2.924 40 0 GFABMO CC(=O)N1CC[N@H+](C2CCCCCC2)C[C@@](O)(COc2cccc(F)c2)C1 ZINC000585284692 570253889 /nfs/dbraw/zinc/25/38/89/570253889.db2.gz ZAAOSVBDEFTKMS-OAQYLSRUSA-N 1 1 378.488 2.823 40 0 GFABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CC3=CCCOC3)CC2)nn1C ZINC000100687634 570274615 /nfs/dbraw/zinc/27/46/15/570274615.db2.gz DHYVXMABIDGJFU-PUZFROQSSA-N 1 1 388.556 2.951 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2n[nH]c(-c3ccc(Cl)cc3)n2)CC1 ZINC000020763714 570283039 /nfs/dbraw/zinc/28/30/39/570283039.db2.gz KWTGBZOJJCZFNJ-UHFFFAOYSA-N 1 1 379.917 2.771 40 0 GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](CCCc2ccccc2)CC[C@@]1(C)O ZINC000604382370 570353486 /nfs/dbraw/zinc/35/34/86/570353486.db2.gz PLPVTHQDPLTIIS-KMDXXIMOSA-N 1 1 396.531 2.948 40 0 biogenic,in-vitro GFABMO O=C(NC1CCCCC1)NC1(C(=O)N2CC[N@H+]3CCC[C@H]3C2)CCCCC1 ZINC000004356358 570421291 /nfs/dbraw/zinc/42/12/91/570421291.db2.gz NYYWDZXFMPIOHW-SFHVURJKSA-N 1 1 376.545 2.628 40 0 GFABMO COc1ccc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2cnc(N(C)C)nc2)C3)cc1 ZINC000012361658 570645707 /nfs/dbraw/zinc/64/57/07/570645707.db2.gz VKAVXIZDPXYJMJ-QIDMFYOTSA-N 1 1 382.508 2.671 40 0 GFABMO CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@H](Cn2cnc3ccccc3c2=O)CC1 ZINC000101370362 570715470 /nfs/dbraw/zinc/71/54/70/570715470.db2.gz FIYSNFKLNQPDMP-OTWHNJEPSA-N 1 1 396.535 2.803 40 0 GFABMO COc1ccccc1[C@@H]1[NH+]=C(NCc2ccccc2)Nc2nc(C)cc(=O)n21 ZINC000009287529 570774862 /nfs/dbraw/zinc/77/48/62/570774862.db2.gz RVRFWJHPCWYKKN-LJQANCHMSA-N 1 1 375.432 2.679 40 0 GFABMO Cc1cccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103669 570929247 /nfs/dbraw/zinc/92/92/47/570929247.db2.gz IAJKDPGQRAJEKT-HLAWJBBLSA-N 1 1 386.536 2.709 40 0 GFABMO O=C(C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2)N1CCCC1 ZINC000585102355 570930595 /nfs/dbraw/zinc/93/05/95/570930595.db2.gz YBAARWKVSMFATI-HSZRJFAPSA-N 1 1 392.503 2.538 40 0 GFABMO O=C(C[N@H+]1CC[C@@]12CCCN(C(=O)c1nccc3ccccc31)C2)N1CCCC1 ZINC000585102355 570930596 /nfs/dbraw/zinc/93/05/96/570930596.db2.gz YBAARWKVSMFATI-HSZRJFAPSA-N 1 1 392.503 2.538 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106281 570936287 /nfs/dbraw/zinc/93/62/87/570936287.db2.gz NEYCLNTUSSROSE-OAGGEKHMSA-N 1 1 375.538 2.589 40 0 GFABMO COCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cc(OC)ccc3F)C[C@@H]21 ZINC000585109615 570938238 /nfs/dbraw/zinc/93/82/38/570938238.db2.gz FBXCBGHQAKJEAF-CNNODRBYSA-N 1 1 384.451 2.867 40 0 GFABMO CSc1nnc([C@H]2CCCN2C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)n1C ZINC000019289262 570971485 /nfs/dbraw/zinc/97/14/85/570971485.db2.gz LOJWZXJXBIXBNQ-CABCVRRESA-N 1 1 377.489 2.643 40 0 GFABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3cccnc3)C2)no1 ZINC000019339098 570976575 /nfs/dbraw/zinc/97/65/75/570976575.db2.gz LFFHSGLBODOBDS-GOSISDBHSA-N 1 1 377.448 2.774 40 0 GFABMO OC1(c2ccccn2)[C@@H]2CCC[C@H]1C[N@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC000019401113 570982973 /nfs/dbraw/zinc/98/29/73/570982973.db2.gz JDJDYCZHWJXEGX-DETIRCLXSA-N 1 1 393.535 2.982 40 0 GFABMO CC(C)C[N@H+]1CCC[C@@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019447195 570984573 /nfs/dbraw/zinc/98/45/73/570984573.db2.gz OVIIRBADKTYCMM-LJQANCHMSA-N 1 1 384.528 2.726 40 0 GFABMO CCn1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523943 570996432 /nfs/dbraw/zinc/99/64/32/570996432.db2.gz YYGCXNQRHMSLEF-KRWDZBQOSA-N 1 1 384.528 2.665 40 0 GFABMO CCCn1nc(C)c(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)c1C ZINC000019525849 570997436 /nfs/dbraw/zinc/99/74/36/570997436.db2.gz RAMPQOGQPNYVNZ-FDFHNCONSA-N 1 1 382.552 2.772 40 0 GFABMO COc1cc(C)c(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1OC ZINC000019567094 571008066 /nfs/dbraw/zinc/00/80/66/571008066.db2.gz JMLXGFHLHDHSIB-UHFFFAOYSA-N 1 1 392.459 2.716 40 0 GFABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019593567 571019778 /nfs/dbraw/zinc/01/97/78/571019778.db2.gz QFZAPTSLCGOJTQ-KRWDZBQOSA-N 1 1 394.475 2.979 40 0 GFABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCn2c(nnc2[C@H]2CCC[N@H+](C)C2)C1 ZINC000019710991 571034631 /nfs/dbraw/zinc/03/46/31/571034631.db2.gz PSQIZKMVIHAZAX-AWEZNQCLSA-N 1 1 396.470 2.672 40 0 GFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)C[N@@H+](Cc1ccccc1)CC2 ZINC000012158350 204376669 /nfs/dbraw/zinc/37/66/69/204376669.db2.gz WFCAVMYUTVKPKP-UHFFFAOYSA-N 1 1 394.519 2.559 40 0 GFABMO C[N@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000012147148 204377107 /nfs/dbraw/zinc/37/71/07/204377107.db2.gz VCUAVJREWRTRAK-UHFFFAOYSA-N 1 1 382.508 2.922 40 0 GFABMO C[N@@H+](Cc1[nH]nc2c1CCCC2)Cc1ccc(OCC(=O)N2CCCC2)cc1 ZINC000012147148 204377109 /nfs/dbraw/zinc/37/71/09/204377109.db2.gz VCUAVJREWRTRAK-UHFFFAOYSA-N 1 1 382.508 2.922 40 0 GFABMO CCOc1cc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)ccc1O ZINC000012275491 204388055 /nfs/dbraw/zinc/38/80/55/204388055.db2.gz MKBYGCBZKBBJCS-KRWDZBQOSA-N 1 1 394.479 2.752 40 0 GFABMO Cn1cnc2cc(C(=O)N[C@@H](CC[NH+]3CCOCC3)c3ccccc3)ccc21 ZINC000019718649 204677123 /nfs/dbraw/zinc/67/71/23/204677123.db2.gz MVLJNDVOGRVLEW-IBGZPJMESA-N 1 1 378.476 2.767 40 0 GFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000044948586 205090857 /nfs/dbraw/zinc/09/08/57/205090857.db2.gz IHWJLTHAMFANQE-KRWDZBQOSA-N 1 1 393.553 2.746 40 0 GFABMO Cc1ccc([C@@H](C)CC[N@H+]2CCOC[C@@]3(CC[C@H](CN4CCOCC4)O3)C2)o1 ZINC000247892784 206136078 /nfs/dbraw/zinc/13/60/78/206136078.db2.gz GGFJRLASEJGKRN-CZTZKLFOSA-N 1 1 392.540 2.664 40 0 GFABMO CC(=O)NCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@@H]2Cc1ccccc1 ZINC000257208207 206159667 /nfs/dbraw/zinc/15/96/67/206159667.db2.gz BLDQNEHAYRORIH-HVJVJISESA-N 1 1 383.536 2.598 40 0 GFABMO CCn1c(CCC(=O)N(C)[C@@H]2CC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257266040 206169132 /nfs/dbraw/zinc/16/91/32/206169132.db2.gz MBIGBHOJKQCGCM-WOIUINJBSA-N 1 1 395.507 2.717 40 0 GFABMO O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)C[N@H+]2Cc1ccccc1 ZINC000257319231 206178199 /nfs/dbraw/zinc/17/81/99/206178199.db2.gz VRKDMQZBSCXKOT-WFXMLNOXSA-N 1 1 386.442 2.774 40 0 GFABMO CC(=O)N[C@]12C[N@@H+](Cc3ccccc3)[C@H](c3ccccc3)[C@H]1CCN(C(C)=O)C2 ZINC000257275841 206170921 /nfs/dbraw/zinc/17/09/21/206170921.db2.gz NREFPMQDBKDQCR-WXFUMESZSA-N 1 1 391.515 2.987 40 0 GFABMO Cn1cc(CN2CCC[C@]3(C2)C[N@@H+](C)Cc2c(-c4ccccc4)ncn23)cn1 ZINC000306143189 206206231 /nfs/dbraw/zinc/20/62/31/206206231.db2.gz XVNOKLACECYZDA-JOCHJYFZSA-N 1 1 376.508 2.720 40 0 GFABMO Cn1cc(C[N@@H+]2CCC[C@@]3(CN(C)Cc4c(-c5ccccc5)ncn43)C2)cn1 ZINC000306143189 206206234 /nfs/dbraw/zinc/20/62/34/206206234.db2.gz XVNOKLACECYZDA-JOCHJYFZSA-N 1 1 376.508 2.720 40 0 GFABMO Cn1cc(C[N@H+]2CCC[C@@]3(CN(C)Cc4c(-c5ccccc5)ncn43)C2)cn1 ZINC000306143189 206206236 /nfs/dbraw/zinc/20/62/36/206206236.db2.gz XVNOKLACECYZDA-JOCHJYFZSA-N 1 1 376.508 2.720 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306124013 206197266 /nfs/dbraw/zinc/19/72/66/206197266.db2.gz BDBPGRQWSJNXBW-CABCVRRESA-N 1 1 385.899 2.518 40 0 GFABMO Fc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131808 206201153 /nfs/dbraw/zinc/20/11/53/206201153.db2.gz KQAVRXRYFIRLOA-KRWDZBQOSA-N 1 1 381.455 2.695 40 0 GFABMO C[NH+](C)Cc1ccc(C[N@@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000012122591 221156003 /nfs/dbraw/zinc/15/60/03/221156003.db2.gz UADJCHPVINUKJR-UHFFFAOYSA-N 1 1 375.476 2.864 40 0 GFABMO C[NH+](C)Cc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[n-]c(=O)c3C2)cc1 ZINC000012122591 221156005 /nfs/dbraw/zinc/15/60/05/221156005.db2.gz UADJCHPVINUKJR-UHFFFAOYSA-N 1 1 375.476 2.864 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(N4CCC[C@@H](C)C4)[nH]c(=O)c3C2)cc1 ZINC000072389573 136169148 /nfs/dbraw/zinc/16/91/48/136169148.db2.gz LKVLJUUEFGGIMM-OAHLLOKOSA-N 1 1 395.507 2.523 40 0 GFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](CC2CCCCC2)CC[C@@]1(C)O ZINC000514289703 560031779 /nfs/dbraw/zinc/03/17/79/560031779.db2.gz BPWUVHNKJYJBAX-SLFFLAALSA-N 1 1 380.554 2.957 40 0 biogenic,in-vitro GFABMO Cc1nc(N)c2ccc([C@H]3CCC[N@H+](CC(=O)N(C)C4CCCCC4)C3)nc2n1 ZINC000019743317 570212497 /nfs/dbraw/zinc/21/24/97/570212497.db2.gz IAJVUPMYCGDHCO-INIZCTEOSA-N 1 1 396.539 2.886 40 0 GFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240540 570222194 /nfs/dbraw/zinc/22/21/94/570222194.db2.gz WTKUHAUXRWMBPI-XLIONFOSSA-N 1 1 388.537 2.875 40 0 GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000001639160 570266435 /nfs/dbraw/zinc/26/64/35/570266435.db2.gz KRWAWNXEYPCCLG-JOKRRQDLSA-N 1 1 383.488 2.729 40 0 GFABMO O=S(=O)(Cc1ccccc1Cl)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000116700853 570345182 /nfs/dbraw/zinc/34/51/82/570345182.db2.gz FUQFHCRFWXSHRH-UHFFFAOYSA-N 1 1 394.924 2.792 40 0 GFABMO C[NH+]1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)CC1 ZINC000008091793 570462961 /nfs/dbraw/zinc/46/29/61/570462961.db2.gz FXLKDRILUNURAF-UHFFFAOYSA-N 1 1 387.480 2.766 40 0 GFABMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000000902295 570514345 /nfs/dbraw/zinc/51/43/45/570514345.db2.gz NSUPOSXSXVIISN-KRWDZBQOSA-N 1 1 393.553 2.922 40 0 GFABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000000902295 570514347 /nfs/dbraw/zinc/51/43/47/570514347.db2.gz NSUPOSXSXVIISN-KRWDZBQOSA-N 1 1 393.553 2.922 40 0 GFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106032 570935996 /nfs/dbraw/zinc/93/59/96/570935996.db2.gz GFAGEKPXIQXZHI-LZQZEXGQSA-N 1 1 387.499 2.524 40 0 GFABMO O=C(c1cccs1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106249 570936380 /nfs/dbraw/zinc/93/63/80/570936380.db2.gz IERWUHWQSUCYNM-SJORKVTESA-N 1 1 387.549 2.591 40 0 GFABMO CC(C)CC[N@H+]1CC[C@@H]2[C@@H](CO[C@H]2CC(=O)N2CCC3(CCOC3)CC2)C1 ZINC000585109447 570941565 /nfs/dbraw/zinc/94/15/65/570941565.db2.gz PPIUQHAAWAORCV-AQNXPRMDSA-N 1 1 378.557 2.789 40 0 GFABMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019078096 570955367 /nfs/dbraw/zinc/95/53/67/570955367.db2.gz VUBRITNJHUERHP-HNNXBMFYSA-N 1 1 398.482 2.777 40 0 GFABMO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019078093 570955416 /nfs/dbraw/zinc/95/54/16/570955416.db2.gz VUBRITNJHUERHP-OAHLLOKOSA-N 1 1 398.482 2.777 40 0 GFABMO Cc1cccc(C)c1OCCO[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000027530927 570963812 /nfs/dbraw/zinc/96/38/12/570963812.db2.gz KDRYWTJLQOOGNH-JOCHJYFZSA-N 1 1 384.520 2.835 40 0 GFABMO COc1cccc(C[N@H+]2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)c1OC ZINC000019239185 570968321 /nfs/dbraw/zinc/96/83/21/570968321.db2.gz SLPMWGBHFGUDMX-OAHLLOKOSA-N 1 1 381.436 2.842 40 0 GFABMO COc1cc(C(=O)N2CC[C@@H]([N@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000238874566 570981500 /nfs/dbraw/zinc/98/15/00/570981500.db2.gz NSLAIJNVHLOKGA-LJQANCHMSA-N 1 1 396.487 2.985 40 0 GFABMO CCc1c(C)nc([C@H]2CCC[N@@H+](Cc3cc4c(cc3OC)OCO4)C2)[nH]c1=O ZINC000019521543 570994650 /nfs/dbraw/zinc/99/46/50/570994650.db2.gz VGZSNTXMKBSMOP-AWEZNQCLSA-N 1 1 385.464 2.758 40 0 GFABMO CCc1c(C)sc2ncn(C3CC[NH+](CC(=O)N4CCCC4)CC3)c(=O)c12 ZINC000019521835 570995006 /nfs/dbraw/zinc/99/50/06/570995006.db2.gz PIRKXMALCVTWAR-UHFFFAOYSA-N 1 1 388.537 2.588 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019555155 571003075 /nfs/dbraw/zinc/00/30/75/571003075.db2.gz VCSWDTDOUOQIFC-KRWDZBQOSA-N 1 1 399.491 2.660 40 0 GFABMO COc1ccccc1C[N@H+]1CCC[C@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019570282 571009803 /nfs/dbraw/zinc/00/98/03/571009803.db2.gz SOJCDNKLNDMMOY-INIZCTEOSA-N 1 1 399.491 2.660 40 0 GFABMO COc1ccc(OC)c(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590431 571017860 /nfs/dbraw/zinc/01/78/60/571017860.db2.gz CQACSZQEPFLLJC-HNNXBMFYSA-N 1 1 396.491 2.502 40 0 GFABMO COc1ccc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)[nH]c2c1 ZINC000019590549 571018158 /nfs/dbraw/zinc/01/81/58/571018158.db2.gz BQIGQRSISSGSME-FQEVSTJZSA-N 1 1 391.475 2.932 40 0 GFABMO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@H]3Cn3cccn3)sc2c1 ZINC000019657954 571024256 /nfs/dbraw/zinc/02/42/56/571024256.db2.gz JTWFUJKAMDTLML-AWEZNQCLSA-N 1 1 385.493 2.995 40 0 GFABMO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@H]3Cn3cccn3)sc2c1 ZINC000019657954 571024258 /nfs/dbraw/zinc/02/42/58/571024258.db2.gz JTWFUJKAMDTLML-AWEZNQCLSA-N 1 1 385.493 2.995 40 0 GFABMO CCOc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H]3Cn3cccn3)sc2c1 ZINC000019657952 571024332 /nfs/dbraw/zinc/02/43/32/571024332.db2.gz JTWFUJKAMDTLML-CQSZACIVSA-N 1 1 385.493 2.995 40 0 GFABMO CCOc1ccc2nc(NC(=O)C[N@H+]3CCC[C@@H]3Cn3cccn3)sc2c1 ZINC000019657952 571024335 /nfs/dbraw/zinc/02/43/35/571024335.db2.gz JTWFUJKAMDTLML-CQSZACIVSA-N 1 1 385.493 2.995 40 0 GFABMO C[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC(c2ccccc2F)=NO1 ZINC000019714012 571035510 /nfs/dbraw/zinc/03/55/10/571035510.db2.gz ORGSPOXEQOXNLS-QFIPXVFZSA-N 1 1 396.466 2.838 40 0 GFABMO C[C@@]1(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC(c2ccccc2F)=NO1 ZINC000019714012 571035511 /nfs/dbraw/zinc/03/55/11/571035511.db2.gz ORGSPOXEQOXNLS-QFIPXVFZSA-N 1 1 396.466 2.838 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715544 571037461 /nfs/dbraw/zinc/03/74/61/571037461.db2.gz IQHQSMBMVKZEJT-INIZCTEOSA-N 1 1 380.496 2.742 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](c2nc3ccccc3n2C)C1 ZINC000019715544 571037468 /nfs/dbraw/zinc/03/74/68/571037468.db2.gz IQHQSMBMVKZEJT-INIZCTEOSA-N 1 1 380.496 2.742 40 0 GFABMO CCN1CCn2c(-c3cnn(C)c3)cnc2C12CC[NH+](Cc1nccs1)CC2 ZINC000096037016 571096589 /nfs/dbraw/zinc/09/65/89/571096589.db2.gz SKCUDYXDGQHIBZ-UHFFFAOYSA-N 1 1 397.552 2.567 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056054 571097971 /nfs/dbraw/zinc/09/79/71/571097971.db2.gz FRCWCSMHJCYLLJ-PXNSSMCTSA-N 1 1 386.521 2.820 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccccn1)CCC2 ZINC000096056047 571098045 /nfs/dbraw/zinc/09/80/45/571098045.db2.gz HVQAHSNQGHKAKQ-AVRDEDQJSA-N 1 1 380.492 2.758 40 0 GFABMO CN1CCC([N@@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425761 204194067 /nfs/dbraw/zinc/19/40/67/204194067.db2.gz SFWIWXHMMSLTMT-KRWDZBQOSA-N 1 1 379.468 2.548 40 0 biogenic,in-vitro GFABMO CN1CCC([N@H+]2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)CC1 ZINC000035425761 204194070 /nfs/dbraw/zinc/19/40/70/204194070.db2.gz SFWIWXHMMSLTMT-KRWDZBQOSA-N 1 1 379.468 2.548 40 0 biogenic,in-vitro GFABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccc(F)cc3)C2(C)C)no1 ZINC000067890209 204266086 /nfs/dbraw/zinc/26/60/86/204266086.db2.gz DAGWLYVHNNRZHG-ACJLOTCBSA-N 1 1 395.500 2.811 40 0 biogenic,in-vitro GFABMO CCC[N@H+]1C[C@H](NC(=O)c2n[nH]c3c2CCCC3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012117073 204372305 /nfs/dbraw/zinc/37/23/05/204372305.db2.gz WJKAUCJLKDAMBH-QUCCMNQESA-N 1 1 382.508 2.905 40 0 GFABMO CCC[N@@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCCC3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012117073 204372308 /nfs/dbraw/zinc/37/23/08/204372308.db2.gz WJKAUCJLKDAMBH-QUCCMNQESA-N 1 1 382.508 2.905 40 0 GFABMO CCC[N@H+]1C[C@H](NC(=O)c2[nH]nc3c2CCCC3)[C@@H](c2ccc(OC)cc2)C1 ZINC000012117073 204372312 /nfs/dbraw/zinc/37/23/12/204372312.db2.gz WJKAUCJLKDAMBH-QUCCMNQESA-N 1 1 382.508 2.905 40 0 GFABMO O=C(NCCc1nc(-c2ccncc2)n[nH]1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000012115841 204373076 /nfs/dbraw/zinc/37/30/76/204373076.db2.gz BVAVAUJYNRQUQP-UHFFFAOYSA-N 1 1 390.491 2.825 40 0 GFABMO COc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2ccc(Cl)cc2)CC1 ZINC000031666908 204903973 /nfs/dbraw/zinc/90/39/73/204903973.db2.gz ZPMJSHVHTXTXRH-SFHVURJKSA-N 1 1 376.884 2.911 40 0 GFABMO CNc1nc([C@H]2CCC[N@H+]2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072345870 205329186 /nfs/dbraw/zinc/32/91/86/205329186.db2.gz MYVCQTGAKRBVLJ-HXUWFJFHSA-N 1 1 379.508 2.803 40 0 GFABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)ncn1 ZINC000072377653 205338871 /nfs/dbraw/zinc/33/88/71/205338871.db2.gz GGLQGWILAGNNLQ-OAHLLOKOSA-N 1 1 376.468 2.827 40 0 GFABMO N[C@@H]1C[C@@H](Oc2cccc(F)c2)[C@H](O)[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000257304533 206177431 /nfs/dbraw/zinc/17/74/31/206177431.db2.gz SMCIIAKCEOYZBY-LUKWVAJMSA-N 1 1 384.495 2.988 40 0 GFABMO C[C@]12C[C@@H](Cc3ccccc3)[N@@H+](CC(=O)N3CCCC3)[C@H]1CCCCC(=O)N2 ZINC000257283296 206170879 /nfs/dbraw/zinc/17/08/79/206170879.db2.gz OXRUPPYTRSAZNQ-QTEQDKRBSA-N 1 1 383.536 2.743 40 0 GFABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)CCCNc3ncccn3)CC[C@H]21 ZINC000257274043 206170966 /nfs/dbraw/zinc/17/09/66/206170966.db2.gz NJIAONKLSBAEII-VAMGGRTRSA-N 1 1 379.508 2.615 40 0 GFABMO C[C@]12CC[N@@H+](CC(N)=O)[C@H]1CCCCC(=O)N2Cc1cccc(C(F)(F)F)c1 ZINC000257330764 206179629 /nfs/dbraw/zinc/17/96/29/206179629.db2.gz XPVNZQKQGLLBNL-LPHOPBHVSA-N 1 1 397.441 2.926 40 0 GFABMO COCCOCC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2C ZINC000257338063 206181154 /nfs/dbraw/zinc/18/11/54/206181154.db2.gz YVQJKGHVMVAMDW-MKQKURRLSA-N 1 1 386.536 2.734 40 0 GFABMO COc1ccc(CNC2=[NH+][C@@H](c3ccc(C)cc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000101983071 533658002 /nfs/dbraw/zinc/65/80/02/533658002.db2.gz YEHPMXPUVMGYJC-HXUWFJFHSA-N 1 1 389.459 2.987 40 0 GFABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCC[N@@H+]3CC3CC3)nc2n(C)c1=O ZINC000019743656 570213133 /nfs/dbraw/zinc/21/31/33/570213133.db2.gz TWHWAHUWLLGVHI-CQSZACIVSA-N 1 1 396.413 2.588 40 0 GFABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@H]3CCCC[N@H+]3CC3CC3)nc2n(C)c1=O ZINC000019743656 570213135 /nfs/dbraw/zinc/21/31/35/570213135.db2.gz TWHWAHUWLLGVHI-CQSZACIVSA-N 1 1 396.413 2.588 40 0 GFABMO CCN1[C@H]2CC[N@H+](Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145732 570213883 /nfs/dbraw/zinc/21/38/83/570213883.db2.gz ZCTFXWWCTIVVAI-ROUUACIJSA-N 1 1 387.505 2.518 40 0 GFABMO CCN1[C@H]2CC[N@@H+](Cc3ccccn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145732 570213884 /nfs/dbraw/zinc/21/38/84/570213884.db2.gz ZCTFXWWCTIVVAI-ROUUACIJSA-N 1 1 387.505 2.518 40 0 GFABMO O=C(c1cscn1)N1CCC2(C[NH+](C3CCN(Cc4ccccc4)CC3)C2)C1 ZINC000096202447 570219092 /nfs/dbraw/zinc/21/90/92/570219092.db2.gz HVCRQUGREQHYNY-UHFFFAOYSA-N 1 1 396.560 2.956 40 0 GFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCCc3ccccc3)CC2)cc1 ZINC000585273061 570241307 /nfs/dbraw/zinc/24/13/07/570241307.db2.gz NFBNMLVJEBDBIJ-UHFFFAOYSA-N 1 1 382.504 2.560 40 0 GFABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)CC1 ZINC000000902129 570514273 /nfs/dbraw/zinc/51/42/73/570514273.db2.gz VKOBYAAPOXPSGF-UHFFFAOYSA-N 1 1 379.526 2.532 40 0 GFABMO O=C([C@@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040428063 570758385 /nfs/dbraw/zinc/75/83/85/570758385.db2.gz BTCFYBGAGRFWHK-GOSISDBHSA-N 1 1 381.451 2.523 40 0 GFABMO CC[N@@H+](C)[C@@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C2(C1)CCCCC2 ZINC000019704006 570896334 /nfs/dbraw/zinc/89/63/34/570896334.db2.gz JODYUUMDZLYGAU-SFHVURJKSA-N 1 1 392.565 2.888 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccs2)CC1 ZINC000585106282 570936465 /nfs/dbraw/zinc/93/64/65/570936465.db2.gz NEYCLNTUSSROSE-XHSDSOJGSA-N 1 1 375.538 2.589 40 0 GFABMO C[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccccc2Cl)CC1 ZINC000020142354 570941944 /nfs/dbraw/zinc/94/19/44/570941944.db2.gz LGYPWORODCTCEQ-HXUWFJFHSA-N 1 1 396.926 2.906 40 0 GFABMO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)C[N@H+](C2CCCC2)CC3)C1 ZINC000019014527 570954068 /nfs/dbraw/zinc/95/40/68/570954068.db2.gz IFKPUVIUSVTEBX-INIZCTEOSA-N 1 1 384.524 2.577 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c2cccnc21 ZINC000019234945 570965473 /nfs/dbraw/zinc/96/54/73/570965473.db2.gz CRVQSFQOOCHHTA-IBGZPJMESA-N 1 1 377.492 2.865 40 0 GFABMO Cc1cccc(C[N@H+]2C[C@@H](c3ccc(F)c(F)c3)[C@]3(C2)COCCC(=O)N3)n1 ZINC000019236335 570966271 /nfs/dbraw/zinc/96/62/71/570966271.db2.gz IRNHPWCMNBQHSI-UWJYYQICSA-N 1 1 387.430 2.543 40 0 GFABMO Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019236043 570966284 /nfs/dbraw/zinc/96/62/84/570966284.db2.gz LFBDPYHAELTWKF-SFHVURJKSA-N 1 1 394.519 2.866 40 0 GFABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172760 570997701 /nfs/dbraw/zinc/99/77/01/570997701.db2.gz JYMUQQWBQXQDEW-NRFANRHFSA-N 1 1 393.531 2.942 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 ZINC000019565118 571007519 /nfs/dbraw/zinc/00/75/19/571007519.db2.gz LGBURAPANSMIAJ-KRWDZBQOSA-N 1 1 399.491 2.660 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@H](c3cc(C(=O)NC4CC4)on3)C2)c1OC ZINC000019567824 571008876 /nfs/dbraw/zinc/00/88/76/571008876.db2.gz DOKRXHTWHRXIQR-AWEZNQCLSA-N 1 1 385.464 2.964 40 0 GFABMO CC(C)(C)c1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccccc2)nn1 ZINC000008298183 291119217 /nfs/dbraw/zinc/11/92/17/291119217.db2.gz VCIZSLVZNNZCPT-OTWHNJEPSA-N 1 1 381.524 2.602 40 0 biogenic,in-vitro GFABMO Cc1nc(NCCCO)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000328974329 206239291 /nfs/dbraw/zinc/23/92/91/206239291.db2.gz FFQLVGROEKMDLQ-UHFFFAOYSA-N 1 1 377.286 2.905 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306140049 209107197 /nfs/dbraw/zinc/10/71/97/209107197.db2.gz UIFQRKLAPBZBPY-YOEHRIQHSA-N 1 1 398.532 2.597 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(Cc4ccccn4)CCN3C(C)(C)C2)cc1 ZINC000253403426 206283467 /nfs/dbraw/zinc/28/34/67/206283467.db2.gz PVEJNEQTVCGEDV-NRFANRHFSA-N 1 1 380.536 2.871 40 0 biogenic,in-vitro GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000001639161 206388007 /nfs/dbraw/zinc/38/80/07/206388007.db2.gz KRWAWNXEYPCCLG-KOCOEAGCSA-N 1 1 383.488 2.729 40 0 GFABMO Cc1nc(C)n(CCC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@@H+]3C)n1 ZINC000019286003 207112577 /nfs/dbraw/zinc/11/25/77/207112577.db2.gz MPROMORZNQLCBI-SFHLNBCPSA-N 1 1 385.487 2.513 40 0 GFABMO Cn1ccnc1-c1nc(NCCC[NH+]2CCOCC2)ncc1-c1ccc(F)cc1 ZINC000019291659 207114819 /nfs/dbraw/zinc/11/48/19/207114819.db2.gz UWHNCYBOZPJVHG-UHFFFAOYSA-N 1 1 396.470 2.817 40 0 GFABMO O[C@@H](C[NH+]1CCN(c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCCCO2 ZINC000019345601 207116005 /nfs/dbraw/zinc/11/60/05/207116005.db2.gz OFYLEEIPLVZSNH-IBGZPJMESA-N 1 1 390.430 2.982 40 0 GFABMO C[C@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)ccc2O1 ZINC000019497940 207125114 /nfs/dbraw/zinc/12/51/14/207125114.db2.gz BRKMZUWTHFBZSO-LIRRHRJNSA-N 1 1 378.476 2.765 40 0 GFABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000019496196 207126025 /nfs/dbraw/zinc/12/60/25/207126025.db2.gz OZOZBCWDVAWQBC-OXJNMPFZSA-N 1 1 389.515 2.948 40 0 GFABMO CCc1c(C)nc([C@@H]2CCC[N@@H+](Cc3cc4c(cc3OC)OCO4)C2)[nH]c1=O ZINC000019521542 207127054 /nfs/dbraw/zinc/12/70/54/207127054.db2.gz VGZSNTXMKBSMOP-CQSZACIVSA-N 1 1 385.464 2.758 40 0 GFABMO CCc1[nH+]ccn1CC1(O)CCN(CC(=O)c2c[nH]c3cc(C)ccc23)CC1 ZINC000019523620 207128619 /nfs/dbraw/zinc/12/86/19/207128619.db2.gz BUSBVKSTJFLZOS-UHFFFAOYSA-N 1 1 380.492 2.945 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552204 207133362 /nfs/dbraw/zinc/13/33/62/207133362.db2.gz UNWMUYPBVGVDMH-KRWDZBQOSA-N 1 1 392.459 2.839 40 0 GFABMO COCCNC(=O)c1cc([C@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019593530 207144162 /nfs/dbraw/zinc/14/41/62/207144162.db2.gz SYHXLFMSMQNHJQ-AWEZNQCLSA-N 1 1 379.407 2.709 40 0 GFABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019593530 207144167 /nfs/dbraw/zinc/14/41/67/207144167.db2.gz SYHXLFMSMQNHJQ-AWEZNQCLSA-N 1 1 379.407 2.709 40 0 GFABMO Cc1nn([C@H](C)CC(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)c(C)c1C ZINC000019758422 207158840 /nfs/dbraw/zinc/15/88/40/207158840.db2.gz PBFXGZVOTFDAJB-CYBMUJFWSA-N 1 1 384.528 2.921 40 0 GFABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1F ZINC000030857693 207374836 /nfs/dbraw/zinc/37/48/36/207374836.db2.gz DMZFTKZMTVRWAG-UHFFFAOYSA-N 1 1 375.425 2.807 40 0 GFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240539 208293727 /nfs/dbraw/zinc/29/37/27/208293727.db2.gz WTKUHAUXRWMBPI-PXNSSMCTSA-N 1 1 388.537 2.875 40 0 GFABMO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](Cc1cccnc1)CC2 ZINC000096260572 208295556 /nfs/dbraw/zinc/29/55/56/208295556.db2.gz GKRNPPFZMOFITF-UHFFFAOYSA-N 1 1 379.508 2.601 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306138053 209104337 /nfs/dbraw/zinc/10/43/37/209104337.db2.gz RNUSJYDWUFQHLY-OALUTQOASA-N 1 1 387.487 2.877 40 0 GFABMO CCNC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134133 209101722 /nfs/dbraw/zinc/10/17/22/209101722.db2.gz NEBFHRAJPYSJBH-PZJWPPBQSA-N 1 1 391.512 2.624 40 0 GFABMO CCNC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134133 209101725 /nfs/dbraw/zinc/10/17/25/209101725.db2.gz NEBFHRAJPYSJBH-PZJWPPBQSA-N 1 1 391.512 2.624 40 0 GFABMO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)c1cnoc1)CC2 ZINC000247829176 209027491 /nfs/dbraw/zinc/02/74/91/209027491.db2.gz GWXQEMGWUYSXPN-QGZVFWFLSA-N 1 1 375.494 2.737 40 0 GFABMO CCN1CC[N@@H+](CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3F)cc2)C1=O ZINC000257202554 209055260 /nfs/dbraw/zinc/05/52/60/209055260.db2.gz AMHRPHSFWLZTJC-IBGZPJMESA-N 1 1 397.494 2.691 40 0 GFABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257246488 209060034 /nfs/dbraw/zinc/06/00/34/209060034.db2.gz IUHNSSAYCMUEEV-OAQYLSRUSA-N 1 1 383.496 2.788 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257299465 209071799 /nfs/dbraw/zinc/07/17/99/209071799.db2.gz RQDTXIHHSJWHAE-QFIPXVFZSA-N 1 1 399.539 2.807 40 0 GFABMO CC[N@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000257299465 209071804 /nfs/dbraw/zinc/07/18/04/209071804.db2.gz RQDTXIHHSJWHAE-QFIPXVFZSA-N 1 1 399.539 2.807 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000257299465 209071805 /nfs/dbraw/zinc/07/18/05/209071805.db2.gz RQDTXIHHSJWHAE-QFIPXVFZSA-N 1 1 399.539 2.807 40 0 GFABMO Cc1ccc(C[N@H+]2CC[C@]3(C2)COCc2c(C)nc(N4CCOCC4)nc23)cc1 ZINC000096244563 136185801 /nfs/dbraw/zinc/18/58/01/136185801.db2.gz MBQAQYFUUHLNCA-QHCPKHFHSA-N 1 1 394.519 2.604 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000257329277 209075803 /nfs/dbraw/zinc/07/58/03/209075803.db2.gz XJDYGICVASPXDH-MRXNPFEDSA-N 1 1 395.511 2.928 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000257329277 209075804 /nfs/dbraw/zinc/07/58/04/209075804.db2.gz XJDYGICVASPXDH-MRXNPFEDSA-N 1 1 395.511 2.928 40 0 GFABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000072345980 222232465 /nfs/dbraw/zinc/23/24/65/222232465.db2.gz UMZOYTIWHZKSBE-KRWDZBQOSA-N 1 1 388.475 2.599 40 0 GFABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000072348719 222234426 /nfs/dbraw/zinc/23/44/26/222234426.db2.gz JUUVNQJIKAWEMO-SFHVURJKSA-N 1 1 383.467 2.926 40 0 GFABMO O=C(C[N@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1 ZINC000072348732 222235368 /nfs/dbraw/zinc/23/53/68/222235368.db2.gz SFAQEQJMMPWKTN-LJQANCHMSA-N 1 1 397.494 2.850 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1 ZINC000072348732 222235369 /nfs/dbraw/zinc/23/53/69/222235369.db2.gz SFAQEQJMMPWKTN-LJQANCHMSA-N 1 1 397.494 2.850 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000072390877 222246912 /nfs/dbraw/zinc/24/69/12/222246912.db2.gz DQYYJNVVXCENJI-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@H]32)c(OC)n1 ZINC000072392587 222249528 /nfs/dbraw/zinc/24/95/28/222249528.db2.gz HKHGAQLKFOXYMO-JNAXZKDPSA-N 1 1 389.883 2.877 40 0 GFABMO CCOC(=O)c1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1Cl ZINC000225585928 553059409 /nfs/dbraw/zinc/05/94/09/553059409.db2.gz CPSOJXHKSCKQDY-UHFFFAOYSA-N 1 1 385.917 2.525 40 0 GFABMO CC[C@@H]1C[N@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000004692658 560199770 /nfs/dbraw/zinc/19/97/70/560199770.db2.gz DAXYUDFNWXHGBE-WMLLIFGASA-N 1 1 384.476 2.700 40 0 biogenic,in-vitro GFABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585282116 570249989 /nfs/dbraw/zinc/24/99/89/570249989.db2.gz AMWVIGGAXQRBJQ-SFTDATJTSA-N 1 1 389.515 2.632 40 0 GFABMO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c([S@](C)=O)c2)cc1 ZINC000005735014 570454148 /nfs/dbraw/zinc/45/41/48/570454148.db2.gz PAQZZCOZHPGCFW-VZOJFVKJSA-N 1 1 377.506 2.783 40 0 in-man GFABMO COc1ccc(F)cc1S(=O)(=O)NCc1ccc(-n2cc[nH+]c2C)cc1 ZINC000223712618 570480607 /nfs/dbraw/zinc/48/06/07/570480607.db2.gz RNGRPDFJJGCPIR-UHFFFAOYSA-N 1 1 375.425 2.807 40 0 GFABMO C[NH+]1CCN(NC(=O)CSc2nc3ccccc3c(-c3ccccc3)n2)CC1 ZINC000006490430 570481511 /nfs/dbraw/zinc/48/15/11/570481511.db2.gz HTUSJSXZKDRLJD-UHFFFAOYSA-N 1 1 393.516 2.668 40 0 GFABMO Cc1nc2cc(NC(=O)C[N@H+]3[C@@H]4CC[C@H]3CC(O)(c3ccco3)C4)ccc2[nH]1 ZINC000012114585 570610151 /nfs/dbraw/zinc/61/01/51/570610151.db2.gz UDWOAMXGLDJPDC-GWTOYCKXSA-N 1 1 380.448 2.917 40 0 GFABMO Cc1nc2cc(NC(=O)C[N@@H+]3[C@@H]4CC[C@H]3CC(O)(c3ccco3)C4)ccc2[nH]1 ZINC000012114585 570610153 /nfs/dbraw/zinc/61/01/53/570610153.db2.gz UDWOAMXGLDJPDC-GWTOYCKXSA-N 1 1 380.448 2.917 40 0 GFABMO Cc1cc(-c2c[nH]nc2C2CC[NH+](CC(=O)NCc3cccs3)CC2)on1 ZINC000012118758 570612690 /nfs/dbraw/zinc/61/26/90/570612690.db2.gz QHAXAHKKGXJCGF-UHFFFAOYSA-N 1 1 385.493 2.930 40 0 GFABMO O=C(C[NH+]1CCC(NC(=O)c2ccccc2Cl)CC1)NCc1ccccc1 ZINC000004908588 570647832 /nfs/dbraw/zinc/64/78/32/570647832.db2.gz BRBFUYPGVUEPQK-UHFFFAOYSA-N 1 1 385.895 2.851 40 0 GFABMO COc1ccc(CNC(=O)C[NH+]2CCC(NC(=O)c3ccccc3C)CC2)cc1 ZINC000004910056 570648311 /nfs/dbraw/zinc/64/83/11/570648311.db2.gz YVZABHWPYSVCRX-UHFFFAOYSA-N 1 1 395.503 2.514 40 0 GFABMO COc1cc2c(cc1S(=O)(=O)NCCC[N@H+]1CCC[C@H](C)C1)CCCC2 ZINC000260746453 570702023 /nfs/dbraw/zinc/70/20/23/570702023.db2.gz XRPPJKPNDFOLHY-INIZCTEOSA-N 1 1 380.554 2.974 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257237055 570766804 /nfs/dbraw/zinc/76/68/04/570766804.db2.gz HEYIOGVGLDXCLK-HNNXBMFYSA-N 1 1 381.484 2.917 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257237055 570766808 /nfs/dbraw/zinc/76/68/08/570766808.db2.gz HEYIOGVGLDXCLK-HNNXBMFYSA-N 1 1 381.484 2.917 40 0 GFABMO COC(=O)N1CC[NH+](C[C@@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000041690401 570900079 /nfs/dbraw/zinc/90/00/79/570900079.db2.gz VTXJJLTYZGRSCM-OAQYLSRUSA-N 1 1 398.503 2.580 40 0 GFABMO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585101710 570927229 /nfs/dbraw/zinc/92/72/29/570927229.db2.gz AOKZISPLNXBFRT-QAPCUYQASA-N 1 1 383.414 2.960 40 0 GFABMO C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103099 570931511 /nfs/dbraw/zinc/93/15/11/570931511.db2.gz DAUUMTSXCGXEHK-MOPGFXCFSA-N 1 1 392.565 2.978 40 0 GFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106245 570936401 /nfs/dbraw/zinc/93/64/01/570936401.db2.gz ZATBMMSMDQQSQN-QGTPRVQTSA-N 1 1 387.524 2.595 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106192 570936469 /nfs/dbraw/zinc/93/64/69/570936469.db2.gz BEPGMPGMSAIRTD-IPELMVKDSA-N 1 1 387.499 2.667 40 0 GFABMO Cc1cccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c1 ZINC000409239786 231185344 /nfs/dbraw/zinc/18/53/44/231185344.db2.gz QHPXBASCVAWAGW-UHFFFAOYSA-N 1 1 383.517 2.935 40 0 GFABMO CC(C)(C)OC(=O)N1CC[NH2+][C@@]2(CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000306145994 209109367 /nfs/dbraw/zinc/10/93/67/209109367.db2.gz YKJPAXIHYKTYKE-HXUWFJFHSA-N 1 1 375.469 2.608 40 0 GFABMO CC1(C)CN(C(=O)c2ccc(Cl)cc2)C[C@@H]2C[N@H+](C3CCOCC3)CCN21 ZINC000253396224 206281378 /nfs/dbraw/zinc/28/13/78/206281378.db2.gz DJDWMBVUQUHZEV-IBGZPJMESA-N 1 1 391.943 2.740 40 0 biogenic,in-vitro GFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(C(=O)C4CCCC4)CCN3C(C)(C)C2)cc1 ZINC000253409163 206283069 /nfs/dbraw/zinc/28/30/69/206283069.db2.gz ZQPKAYDNNIFXPS-HXUWFJFHSA-N 1 1 385.552 2.992 40 0 biogenic,in-vitro GFABMO C[NH+](C)CCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000010111458 206807761 /nfs/dbraw/zinc/80/77/61/206807761.db2.gz LYSHYPNBFSMPMK-UHFFFAOYSA-N 1 1 395.912 2.822 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@H+](C1CCC1)C[C@H]2c1cccnc1 ZINC000306141425 209106016 /nfs/dbraw/zinc/10/60/16/209106016.db2.gz VVQFIAMMUKICLE-PZJWPPBQSA-N 1 1 383.517 2.893 40 0 GFABMO COc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccc(C)cn4)[C@@H]3C1)OCO2 ZINC000019215798 207107198 /nfs/dbraw/zinc/10/71/98/207107198.db2.gz HFLYJMIGXCCOCN-JIGPKXGUSA-N 1 1 382.460 2.857 40 0 GFABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1C ZINC000019214018 207107977 /nfs/dbraw/zinc/10/79/77/207107977.db2.gz SZZLBALWNPKHHG-IAGOWNOFSA-N 1 1 382.508 2.559 40 0 GFABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1C ZINC000019214018 207107981 /nfs/dbraw/zinc/10/79/81/207107981.db2.gz SZZLBALWNPKHHG-IAGOWNOFSA-N 1 1 382.508 2.559 40 0 GFABMO Cc1[nH+]ccn1CCCNC(=O)c1cc2nccc(-c3ccc(F)cc3)n2n1 ZINC000019288151 207112596 /nfs/dbraw/zinc/11/25/96/207112596.db2.gz KTZLUBBBPUOYLV-UHFFFAOYSA-N 1 1 378.411 2.860 40 0 GFABMO Cc1nc(C)n(CC(=O)N2C[C@@H](c3ccccc3)[C@H]3[C@H]2CCCCC[N@@H+]3C)n1 ZINC000019285764 207113961 /nfs/dbraw/zinc/11/39/61/207113961.db2.gz IIJHLJMCBYUQSX-VWPQPMDRSA-N 1 1 381.524 2.764 40 0 GFABMO O=C(C1CC1)N1CCC[C@@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343587 207116875 /nfs/dbraw/zinc/11/68/75/207116875.db2.gz URYFFRUGANFMJG-OAHLLOKOSA-N 1 1 398.532 2.506 40 0 GFABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019561199 207134801 /nfs/dbraw/zinc/13/48/01/207134801.db2.gz RUDDOYFGAWEYDH-PCCBWWKXSA-N 1 1 382.504 2.566 40 0 GFABMO COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4cc(C[NH+](C)C)n(C)n4)C3)cc21 ZINC000019709048 207151133 /nfs/dbraw/zinc/15/11/33/207151133.db2.gz LAOPSSKGFUWIBD-HNNXBMFYSA-N 1 1 395.507 2.991 40 0 GFABMO c1ccc(N2CCCCC2)c(C[N@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711055 207151463 /nfs/dbraw/zinc/15/14/63/207151463.db2.gz HMGFCMBLJKWMEQ-IBGZPJMESA-N 1 1 380.540 2.751 40 0 GFABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)n2CC1 ZINC000019710773 207152547 /nfs/dbraw/zinc/15/25/47/207152547.db2.gz XPYHPVFIURQDGM-KRWDZBQOSA-N 1 1 398.511 2.779 40 0 GFABMO Cc1nc(NC2CCCC2)cc(CC2CCN(C(=O)c3nccn3C)CC2)[nH+]1 ZINC000072356216 208001871 /nfs/dbraw/zinc/00/18/71/208001871.db2.gz PGGFINHWEFINMM-UHFFFAOYSA-N 1 1 382.512 2.968 40 0 GFABMO COc1cccc(-c2nccnc2[C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358553 208003613 /nfs/dbraw/zinc/00/36/13/208003613.db2.gz CLFLFKGBJDAPDR-GOSISDBHSA-N 1 1 380.492 2.954 40 0 GFABMO Cc1ccc(C[N@@H+]2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)s1 ZINC000096049818 208256960 /nfs/dbraw/zinc/25/69/60/208256960.db2.gz OUOQSTNJVGBPLZ-IBGZPJMESA-N 1 1 393.578 2.925 40 0 GFABMO Cc1ccc(C[N@H+]2CCO[C@@]3(C2)COCCN(Cc2csc(C)n2)C3)s1 ZINC000096049818 208256967 /nfs/dbraw/zinc/25/69/67/208256967.db2.gz OUOQSTNJVGBPLZ-IBGZPJMESA-N 1 1 393.578 2.925 40 0 GFABMO CCOC(=O)[C@@]12C[N@@H+](Cc3ccoc3)C[C@@H]1CN(Cc1cccnc1)CCC2 ZINC000096056035 208257755 /nfs/dbraw/zinc/25/77/55/208257755.db2.gz AOHGXHAWFVSNQE-UNMCSNQZSA-N 1 1 383.492 2.952 40 0 GFABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@H+](Cc1cccnc1)CCC2 ZINC000096056035 208257759 /nfs/dbraw/zinc/25/77/59/208257759.db2.gz AOHGXHAWFVSNQE-UNMCSNQZSA-N 1 1 383.492 2.952 40 0 GFABMO CCOC(=O)[C@@]12CN(Cc3ccoc3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096056035 208257763 /nfs/dbraw/zinc/25/77/63/208257763.db2.gz AOHGXHAWFVSNQE-UNMCSNQZSA-N 1 1 383.492 2.952 40 0 GFABMO COCC[N@@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096228481 208290588 /nfs/dbraw/zinc/29/05/88/208290588.db2.gz HSGRKVMRIIHTOE-VGOFRKELSA-N 1 1 385.508 2.757 40 0 GFABMO CSc1ccccc1N1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000101163514 208386649 /nfs/dbraw/zinc/38/66/49/208386649.db2.gz SRVIXTSKUWYWAS-LJQANCHMSA-N 1 1 395.528 2.858 40 0 GFABMO Cc1ccsc1C[N@H+]1C[C@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@@H]2C1 ZINC000306128370 209099844 /nfs/dbraw/zinc/09/98/44/209099844.db2.gz GYQOAJMPIUDIPW-GDBMZVCRSA-N 1 1 397.504 2.790 40 0 GFABMO CC(C)CS(=O)(=O)N[C@H]1CCCC[C@@]12C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123910 209097317 /nfs/dbraw/zinc/09/73/17/209097317.db2.gz BAHBELYJQDXKMC-HSALFYBXSA-N 1 1 384.586 2.932 40 0 GFABMO O[C@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000041690264 209094680 /nfs/dbraw/zinc/09/46/80/209094680.db2.gz HFNJROXTWOJDHL-SFHVURJKSA-N 1 1 392.446 2.543 40 0 GFABMO Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(C=Cc3ccccc3)n2)n[nH]1 ZINC000299803724 209093876 /nfs/dbraw/zinc/09/38/76/209093876.db2.gz YGUOFTXYGIBCOT-CMDGGOBGSA-N 1 1 375.480 2.989 40 0 GFABMO COC[C@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247885406 209027391 /nfs/dbraw/zinc/02/73/91/209027391.db2.gz RJYPPELGTYRUJK-OAHLLOKOSA-N 1 1 375.494 2.737 40 0 GFABMO COc1cc(C[N@H+]2CCOC[C@H](CC(=O)N3CCCC3)[C@H]2C)cc(OC)c1 ZINC000249691162 209033073 /nfs/dbraw/zinc/03/30/73/209033073.db2.gz LFVBNIYFQRLHNK-AEFFLSMTSA-N 1 1 376.497 2.553 40 0 GFABMO CCCc1cc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccc(OC)cc2)C[N@H+]3C)n(C)n1 ZINC000257216931 209058188 /nfs/dbraw/zinc/05/81/88/209058188.db2.gz CWSYVKIIHWQJRQ-NJDAHSKKSA-N 1 1 396.535 2.941 40 0 GFABMO COc1ccc([C@H]2C[N@@H+](Cc3ccccc3)[C@@H]3CCN(C(=O)CO)C[C@@H]32)cc1 ZINC000257306754 209072044 /nfs/dbraw/zinc/07/20/44/209072044.db2.gz SVROLNCAFBXUCM-YPAWHYETSA-N 1 1 380.488 2.504 40 0 GFABMO CC[NH+]1CCN(C(=O)[C@H]2C[C@H]3CC[C@]2(C)C[C@@]32Nc3ccccc3C(=O)N2)CC1 ZINC000072326502 222227845 /nfs/dbraw/zinc/22/78/45/222227845.db2.gz UNHQNJAZFOTXBR-ZDZLMVPKSA-N 1 1 396.535 2.529 40 0 GFABMO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](Cc2ccccc2F)CC1 ZINC000225467872 560043393 /nfs/dbraw/zinc/04/33/93/560043393.db2.gz IRPSEJGPJUKVSY-UHFFFAOYSA-N 1 1 391.512 2.598 40 0 biogenic,in-vitro GFABMO CC(=O)N1CCN(c2cc(-c3noc([C@@H]4CCC[N@@H+]4CC(C)C)n3)ccn2)CC1 ZINC000049154970 560083973 /nfs/dbraw/zinc/08/39/73/560083973.db2.gz ZZDIFAHVVQROPE-SFHVURJKSA-N 1 1 398.511 2.593 40 0 biogenic,in-vitro GFABMO CC[NH+](CC)[C@H]1[C@@H]2OC[C@@H](O2)[C@@H](NCc2ccc(-c3ccccc3)cc2)[C@@H]1O ZINC000012483555 560212292 /nfs/dbraw/zinc/21/22/92/560212292.db2.gz QKAFKKVUHTUHPF-FWKCKQQBSA-N 1 1 382.504 2.638 40 0 biogenic,in-vitro GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)[nH+]c(C3CC3)n1)CC2 ZINC000329043625 570214822 /nfs/dbraw/zinc/21/48/22/570214822.db2.gz SSSGVDSQOXGXJB-CYBMUJFWSA-N 1 1 384.480 2.727 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@H](C)CO)nc(C3CC3)[nH+]1)CC2 ZINC000329043625 570214824 /nfs/dbraw/zinc/21/48/24/570214824.db2.gz SSSGVDSQOXGXJB-CYBMUJFWSA-N 1 1 384.480 2.727 40 0 GFABMO Cc1ccc(Cl)c(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCC3)CC[C@@H]2O)c1 ZINC000585281357 570249268 /nfs/dbraw/zinc/24/92/68/570249268.db2.gz INHHZERXNKEJCD-ICSRJNTNSA-N 1 1 383.916 2.520 40 0 GFABMO Cc1cccc(N2CCC(O)(C[N@H+]3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)c1 ZINC000585282306 570250085 /nfs/dbraw/zinc/25/00/85/570250085.db2.gz DCHPFIIJEXPSOK-UNMCSNQZSA-N 1 1 385.552 2.850 40 0 GFABMO C[C@]12CC[N@@H+](CC3(O)CCN(c4ccc(F)cc4)CC3)[C@H]1CCCCC(=O)N2 ZINC000585284654 570253828 /nfs/dbraw/zinc/25/38/28/570253828.db2.gz UOEFQMOEHBDTBP-FPOVZHCZSA-N 1 1 389.515 2.680 40 0 GFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 ZINC000072227681 570318961 /nfs/dbraw/zinc/31/89/61/570318961.db2.gz JVUFMAVHLVFNIB-CVEARBPZSA-N 1 1 375.222 2.636 40 0 GFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)s2)cc1OC ZINC000072227062 570319125 /nfs/dbraw/zinc/31/91/25/570319125.db2.gz LZJVMQOMDCTPKE-HUUCEWRRSA-N 1 1 397.294 2.939 40 0 GFABMO COc1cccc(-c2cc3nc(C)cc(NCCC[NH+]4CCOCC4)n3n2)c1 ZINC000035314440 570468574 /nfs/dbraw/zinc/46/85/74/570468574.db2.gz OZDOGXOOFYOBMG-UHFFFAOYSA-N 1 1 381.480 2.848 40 0 GFABMO O=C(C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 ZINC000000902293 570514423 /nfs/dbraw/zinc/51/44/23/570514423.db2.gz IAAMHVZEYKSOTN-UHFFFAOYSA-N 1 1 379.526 2.676 40 0 GFABMO O=C(NC[C@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225278404 570561040 /nfs/dbraw/zinc/56/10/40/570561040.db2.gz ZVLSTRCBPUVZAW-MJGOQNOKSA-N 1 1 384.451 2.994 40 0 GFABMO CCOCc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)ccc1OC ZINC000012147613 570617218 /nfs/dbraw/zinc/61/72/18/570617218.db2.gz CUTVSSYHTUOOGY-QIDMFYOTSA-N 1 1 385.508 2.980 40 0 GFABMO Cc1c(C(=O)NC(C)(C)C[N@@H+]2CCC[C@@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012203313 570625119 /nfs/dbraw/zinc/62/51/19/570625119.db2.gz ZFJHFUNXTZRKMQ-GFCCVEGCSA-N 1 1 376.526 2.544 40 0 GFABMO COc1cc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc(OC)c1 ZINC000004929006 570649135 /nfs/dbraw/zinc/64/91/35/570649135.db2.gz MBJPKWOIKGJZAD-VSOVRNOCSA-N 1 1 397.475 2.552 40 0 GFABMO COc1cc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2cccnc2)C3)cc(OC)c1 ZINC000004929006 570649138 /nfs/dbraw/zinc/64/91/38/570649138.db2.gz MBJPKWOIKGJZAD-VSOVRNOCSA-N 1 1 397.475 2.552 40 0 GFABMO CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)C[NH+]2CCCC2)cc1 ZINC000004968569 570655114 /nfs/dbraw/zinc/65/51/14/570655114.db2.gz KUHZCSFEVNUNDQ-UHFFFAOYSA-N 1 1 387.505 2.542 40 0 GFABMO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@@H+]4CC(=O)N4CCCC4)C3)CC2)cc1 ZINC000585102058 570928020 /nfs/dbraw/zinc/92/80/20/570928020.db2.gz OYKKWGIWJKHDOE-QHCPKHFHSA-N 1 1 395.547 2.716 40 0 GFABMO Cc1ccc(C2(C(=O)N3CCC[C@]4(CC[N@H+]4CC(=O)N4CCCC4)C3)CC2)cc1 ZINC000585102058 570928024 /nfs/dbraw/zinc/92/80/24/570928024.db2.gz OYKKWGIWJKHDOE-QHCPKHFHSA-N 1 1 395.547 2.716 40 0 GFABMO COc1ccc(C[N@H+]2CCOC[C@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC000585103321 570931951 /nfs/dbraw/zinc/93/19/51/570931951.db2.gz BFSFJWLLXRWMTC-HSZRJFAPSA-N 1 1 380.488 2.946 40 0 GFABMO O=C(c1cccs1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000585106303 570936362 /nfs/dbraw/zinc/93/63/62/570936362.db2.gz PYTBPWNKEOAQSO-MSOLQXFVSA-N 1 1 395.528 2.601 40 0 GFABMO O=C(NC1CCCCC1)NC1(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)CCCCC1 ZINC000004356356 206260131 /nfs/dbraw/zinc/26/01/31/206260131.db2.gz NYYWDZXFMPIOHW-GOSISDBHSA-N 1 1 376.545 2.628 40 0 GFABMO Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019210827 207105996 /nfs/dbraw/zinc/10/59/96/207105996.db2.gz SBIWDTKVUAMUSE-KRWDZBQOSA-N 1 1 394.519 2.946 40 0 GFABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@H](n2nc(-c3ccco3)ccc2=O)C1 ZINC000019287696 207113063 /nfs/dbraw/zinc/11/30/63/207113063.db2.gz XYSOTIJHGHPEFS-RDJZCZTQSA-N 1 1 395.463 2.508 40 0 GFABMO O=C(NC1CC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019372459 207119235 /nfs/dbraw/zinc/11/92/35/207119235.db2.gz WPQLYEIRGCLWLB-PMACEKPBSA-N 1 1 391.519 2.571 40 0 GFABMO CCc1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019523392 207128207 /nfs/dbraw/zinc/12/82/07/207128207.db2.gz LUHPXIGUFGJWRD-INIZCTEOSA-N 1 1 376.464 2.564 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524536 207129282 /nfs/dbraw/zinc/12/92/82/207129282.db2.gz GZGASSFHLNUCCY-QGZVFWFLSA-N 1 1 384.528 2.665 40 0 GFABMO CCOc1ncc(C2(O)CC[NH+](Cc3ccc(CC)o3)CC2)c(OCC)n1 ZINC000019522918 207129341 /nfs/dbraw/zinc/12/93/41/207129341.db2.gz YLAOFEBAAMLNHB-UHFFFAOYSA-N 1 1 375.469 2.913 40 0 GFABMO Cc1nn(CCC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019557107 207131989 /nfs/dbraw/zinc/13/19/89/207131989.db2.gz SALMJRJVUCBAFB-HXUWFJFHSA-N 1 1 396.539 2.730 40 0 GFABMO C[N@H+]1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)CCCn1cncn1 ZINC000019589072 207142111 /nfs/dbraw/zinc/14/21/11/207142111.db2.gz WQENQRUERBYBNF-VWPQPMDRSA-N 1 1 381.524 2.927 40 0 GFABMO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019708709 207150927 /nfs/dbraw/zinc/15/09/27/207150927.db2.gz SWISFKFOTDJDHC-IBGZPJMESA-N 1 1 393.535 2.845 40 0 GFABMO Cc1ccc2oc(C(=O)N3CCc4nnc([C@H]5CCC[N@H+](C)C5)n4CC3)cc2c1 ZINC000019709274 207151210 /nfs/dbraw/zinc/15/12/10/207151210.db2.gz UNSCLXHBTLAHJQ-INIZCTEOSA-N 1 1 393.491 2.840 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)c2cc(OC)ccc21 ZINC000019710973 207152645 /nfs/dbraw/zinc/15/26/45/207152645.db2.gz OQOJKESJEKFFNS-INIZCTEOSA-N 1 1 394.523 2.744 40 0 GFABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2CC1 ZINC000019710791 207152925 /nfs/dbraw/zinc/15/29/25/207152925.db2.gz MJSZCLKFPPKFEK-SFHVURJKSA-N 1 1 385.487 2.592 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 ZINC000019711018 207153099 /nfs/dbraw/zinc/15/30/99/207153099.db2.gz MFKQJTZALIJZEK-OAHLLOKOSA-N 1 1 382.487 2.875 40 0 GFABMO CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000072372130 208004676 /nfs/dbraw/zinc/00/46/76/208004676.db2.gz IVWOFVJHEDGPLP-SFHVURJKSA-N 1 1 390.491 2.568 40 0 GFABMO COc1cc2c(cc1CN1CCc3nnc([C@@H]4CCC[NH2+]C4)n3CC1)CCCC2 ZINC000072370900 208004899 /nfs/dbraw/zinc/00/48/99/208004899.db2.gz NWVIHVDQOUHBOW-LJQANCHMSA-N 1 1 395.551 2.691 40 0 GFABMO O=C(C[NH+]1CCC(c2cncc(Oc3cccnc3)n2)CC1)N1CCCCC1 ZINC000072383553 208012127 /nfs/dbraw/zinc/01/21/27/208012127.db2.gz ZWNADGLKECENLD-UHFFFAOYSA-N 1 1 381.480 2.856 40 0 GFABMO CC(C)n1nc(C[NH+]2CCCC2)c2c1CN(S(=O)(=O)c1cccs1)CC2 ZINC000096255950 208295940 /nfs/dbraw/zinc/29/59/40/208295940.db2.gz QCXXUNBQWBKEOG-UHFFFAOYSA-N 1 1 394.566 2.868 40 0 GFABMO O=C(c1cccnc1)N1CCC2(CC1)[NH2+]CCn1c(-c3ccc(F)cc3)cnc12 ZINC000096263398 208297476 /nfs/dbraw/zinc/29/74/76/208297476.db2.gz WZZGKVYMWJAFDP-UHFFFAOYSA-N 1 1 391.450 2.819 40 0 GFABMO COCC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137218 209104517 /nfs/dbraw/zinc/10/45/17/209104517.db2.gz QPIMXOQZBNOCAC-ICSRJNTNSA-N 1 1 378.538 2.685 40 0 GFABMO COCC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137218 209104520 /nfs/dbraw/zinc/10/45/20/209104520.db2.gz QPIMXOQZBNOCAC-ICSRJNTNSA-N 1 1 378.538 2.685 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)cs1 ZINC000306133605 209102980 /nfs/dbraw/zinc/10/29/80/209102980.db2.gz MQPYFGJHYIKPHX-RTBURBONSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccncc4)C[C@H]32)cs1 ZINC000306133605 209102984 /nfs/dbraw/zinc/10/29/84/209102984.db2.gz MQPYFGJHYIKPHX-RTBURBONSA-N 1 1 379.489 2.730 40 0 GFABMO O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CC[C@@]21CC[N@@H+](CC2CC2)C1 ZINC000306130466 209098989 /nfs/dbraw/zinc/09/89/89/209098989.db2.gz JHHDIBHJEJQBPR-XMMPIXPASA-N 1 1 390.531 2.559 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306124016 209097648 /nfs/dbraw/zinc/09/76/48/209097648.db2.gz BDBPGRQWSJNXBW-LSDHHAIUSA-N 1 1 385.899 2.518 40 0 GFABMO CN1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111835 209008398 /nfs/dbraw/zinc/00/83/98/209008398.db2.gz ZPHCGUDEJVQXJF-FPOVZHCZSA-N 1 1 392.503 2.544 40 0 biogenic,in-vitro GFABMO CN1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2cccnc2)c2ccccc2O3)CC1 ZINC000096111835 209008402 /nfs/dbraw/zinc/00/84/02/209008402.db2.gz ZPHCGUDEJVQXJF-FPOVZHCZSA-N 1 1 392.503 2.544 40 0 biogenic,in-vitro GFABMO O=C(Cc1cccc(O)c1)N1CCC[C@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257248037 209060168 /nfs/dbraw/zinc/06/01/68/209060168.db2.gz JBTKEMJPTBKULM-XMMPIXPASA-N 1 1 394.515 2.737 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2cn(C)cn2)C1 ZINC000257257832 209061137 /nfs/dbraw/zinc/06/11/37/209061137.db2.gz KRGUBKPUSLCEAD-INIZCTEOSA-N 1 1 395.511 2.928 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2cn(C)cn2)C1 ZINC000257257832 209061140 /nfs/dbraw/zinc/06/11/40/209061140.db2.gz KRGUBKPUSLCEAD-INIZCTEOSA-N 1 1 395.511 2.928 40 0 GFABMO O=C(C[NH+]1CCC(C(=O)c2ccccc2)CC1)N1CCN(c2ccccc2)CC1 ZINC000004858898 136194192 /nfs/dbraw/zinc/19/41/92/136194192.db2.gz MRRJZOKWTDNGML-UHFFFAOYSA-N 1 1 391.515 2.930 40 0 GFABMO CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC000257318081 209075038 /nfs/dbraw/zinc/07/50/38/209075038.db2.gz VMKKKWKKKXFYGJ-LJQANCHMSA-N 1 1 380.492 2.599 40 0 GFABMO CNc1nc([C@@H]2CCC[N@H+]2CCc2ccccc2)nc2c1CCN(C(C)=O)C2 ZINC000072345869 222232885 /nfs/dbraw/zinc/23/28/85/222232885.db2.gz MYVCQTGAKRBVLJ-FQEVSTJZSA-N 1 1 379.508 2.803 40 0 GFABMO CC(C)C[N@H+]1CCC[C@H]1c1nc(-c2ccnc(N3CCC(C(N)=O)CC3)c2)no1 ZINC000035424689 560081141 /nfs/dbraw/zinc/08/11/41/560081141.db2.gz SLYLSGBTVIYPPM-KRWDZBQOSA-N 1 1 398.511 2.626 40 0 biogenic,in-vitro GFABMO COc1cccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224738673 570528237 /nfs/dbraw/zinc/52/82/37/570528237.db2.gz WJMDARGWOTWRCF-KRWDZBQOSA-N 1 1 384.476 2.611 40 0 GFABMO CN1CC[NH+](CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 ZINC000038757299 570582581 /nfs/dbraw/zinc/58/25/81/570582581.db2.gz ORXPUAULNONFGI-UHFFFAOYSA-N 1 1 390.380 2.980 40 0 GFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](CC2=Cc4ccccc4OC2)CC3)C1 ZINC000012183133 570620052 /nfs/dbraw/zinc/62/00/52/570620052.db2.gz BWJHSXLTUNWNNR-INIZCTEOSA-N 1 1 392.503 2.840 40 0 GFABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365923 570646834 /nfs/dbraw/zinc/64/68/34/570646834.db2.gz SXFXWQJKJNUXOK-UMEYKSNOSA-N 1 1 380.492 2.912 40 0 GFABMO CCSc1ncc(CN2CCc3nc(-c4cccnc4)[n-]c(=O)c3C2)cn1 ZINC000072339882 570880080 /nfs/dbraw/zinc/88/00/80/570880080.db2.gz JHXPLHCFBGANNP-UHFFFAOYSA-N 1 1 380.477 2.705 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N3CC(=O)N3CCCC3)CC2)cc1 ZINC000585100263 570924239 /nfs/dbraw/zinc/92/42/39/570924239.db2.gz JDRQVBWUEDYOCU-QHCPKHFHSA-N 1 1 399.535 2.665 40 0 GFABMO Cc1cc(C[N@H+]2CCC[C@]3(CCCN3C(=O)c3snnc3C)CC2)n(C)n1 ZINC000585100608 570924654 /nfs/dbraw/zinc/92/46/54/570924654.db2.gz PMAIICMHUKGROH-IBGZPJMESA-N 1 1 388.541 2.549 40 0 GFABMO Cc1nc(NCCCO)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329027136 206241224 /nfs/dbraw/zinc/24/12/24/206241224.db2.gz PRFYSEOQFLZKCR-UHFFFAOYSA-N 1 1 377.286 2.905 40 0 GFABMO Cc1cccc(OCCC[NH+]2CCN(C(=O)c3ccc(C)n(C)c3=O)CC2)c1C ZINC000019235725 207109768 /nfs/dbraw/zinc/10/97/68/207109768.db2.gz COIZQHLPMGXENT-UHFFFAOYSA-N 1 1 397.519 2.537 40 0 GFABMO Cc1nc2cc(C(=O)N3CCc4nc([C@@H]5CCC[N@@H+]5C)ncc4C3)ccc2n1C ZINC000019286530 207112454 /nfs/dbraw/zinc/11/24/54/207112454.db2.gz XEBGMGRZDZQKCB-FQEVSTJZSA-N 1 1 390.491 2.637 40 0 GFABMO Cc1nc2cc(C(=O)N3CCc4nc([C@@H]5CCC[N@H+]5C)ncc4C3)ccc2n1C ZINC000019286530 207112459 /nfs/dbraw/zinc/11/24/59/207112459.db2.gz XEBGMGRZDZQKCB-FQEVSTJZSA-N 1 1 390.491 2.637 40 0 GFABMO Cc1ncc2c(n1)[C@]1(CCC[N@H+](Cc3cnc(N4CCCCC4)nc3)C1)OCC2 ZINC000019287408 207112833 /nfs/dbraw/zinc/11/28/33/207112833.db2.gz ZDNUZKSVBRWNCL-JOCHJYFZSA-N 1 1 394.523 2.629 40 0 GFABMO Cc1ncc2c(n1)[C@]1(CCC[N@@H+](Cc3cnc(N4CCCCC4)nc3)C1)OCC2 ZINC000019287408 207112838 /nfs/dbraw/zinc/11/28/38/207112838.db2.gz ZDNUZKSVBRWNCL-JOCHJYFZSA-N 1 1 394.523 2.629 40 0 GFABMO O=S(=O)(Cc1ccc(Cl)cc1)N1C[C@H]2CCC[C@@H](C1)C2[NH+]1CCOCC1 ZINC000019334768 207117399 /nfs/dbraw/zinc/11/73/99/207117399.db2.gz NXXUDMOADSIQBA-JJTKIYQPSA-N 1 1 398.956 2.603 40 0 GFABMO O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349243 207118355 /nfs/dbraw/zinc/11/83/55/207118355.db2.gz RQZASVBYNQMENG-LJQANCHMSA-N 1 1 396.466 2.541 40 0 GFABMO O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349243 207118359 /nfs/dbraw/zinc/11/83/59/207118359.db2.gz RQZASVBYNQMENG-LJQANCHMSA-N 1 1 396.466 2.541 40 0 GFABMO C[C@@H](Cc1ccc2c(c1)OCO2)C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019456825 207124200 /nfs/dbraw/zinc/12/42/00/207124200.db2.gz SYDAEWCUVSDSSI-IBGZPJMESA-N 1 1 397.519 2.823 40 0 GFABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc(OC)c1OC ZINC000019549739 207130957 /nfs/dbraw/zinc/13/09/57/207130957.db2.gz RUNHHBIRZCFCIT-INIZCTEOSA-N 1 1 399.491 2.595 40 0 GFABMO CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)[nH]n1 ZINC000019447405 207121190 /nfs/dbraw/zinc/12/11/90/207121190.db2.gz YAXULIYNOJXTMZ-LJQANCHMSA-N 1 1 382.512 2.754 40 0 GFABMO CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@@H+](C)C3)n[nH]1 ZINC000019447405 207121195 /nfs/dbraw/zinc/12/11/95/207121195.db2.gz YAXULIYNOJXTMZ-LJQANCHMSA-N 1 1 382.512 2.754 40 0 GFABMO CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)n[nH]1 ZINC000019447405 207121200 /nfs/dbraw/zinc/12/12/00/207121200.db2.gz YAXULIYNOJXTMZ-LJQANCHMSA-N 1 1 382.512 2.754 40 0 GFABMO CCOc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)ccc1OC ZINC000019532125 207131491 /nfs/dbraw/zinc/13/14/91/207131491.db2.gz ZIZCOJSYSHHRJK-BHIFYINESA-N 1 1 396.531 2.956 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552208 207132427 /nfs/dbraw/zinc/13/24/27/207132427.db2.gz JEBWQWJFFQZYIR-KRWDZBQOSA-N 1 1 392.459 2.839 40 0 GFABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cnc(C)nc2C)[nH+]1 ZINC000019698344 207148662 /nfs/dbraw/zinc/14/86/62/207148662.db2.gz YBWJMZLPSOQLRT-NRFANRHFSA-N 1 1 394.523 2.526 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 ZINC000019590239 207141818 /nfs/dbraw/zinc/14/18/18/207141818.db2.gz QIPDZSRJIIWDFN-QGZVFWFLSA-N 1 1 380.492 2.509 40 0 GFABMO Cn1nc([C@@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)cc1C[NH+](C)C ZINC000019709043 207150498 /nfs/dbraw/zinc/15/04/98/207150498.db2.gz KKTYGVXDZLNOSU-QGZVFWFLSA-N 1 1 394.523 2.628 40 0 GFABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1OC ZINC000020112244 207179546 /nfs/dbraw/zinc/17/95/46/207179546.db2.gz ZWZFTSSAFUNQDZ-UHFFFAOYSA-N 1 1 387.461 2.676 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(CN3CCOCC3)c2)cc1 ZINC000020459607 207194570 /nfs/dbraw/zinc/19/45/70/207194570.db2.gz RCTNHNUVBYLWOD-UHFFFAOYSA-N 1 1 390.487 2.943 40 0 GFABMO CO[C@H](c1ccccc1)[C@H](O)CN1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000022862000 207263561 /nfs/dbraw/zinc/26/35/61/207263561.db2.gz VSTNNAYSCJQCQI-DNVJHFABSA-N 1 1 384.520 2.740 40 0 in-man GFABMO Cc1cc(C)c(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c(C)c1 ZINC000047266701 207680845 /nfs/dbraw/zinc/68/08/45/207680845.db2.gz JVJMIKPRBWIBHW-UHFFFAOYSA-N 1 1 388.533 2.923 40 0 GFABMO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)ncn1 ZINC000072377625 208007957 /nfs/dbraw/zinc/00/79/57/208007957.db2.gz QZHRJQBTOHWLQR-INIZCTEOSA-N 1 1 376.468 2.827 40 0 GFABMO Cc1cccnc1Nc1nccc([C@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072377585 208010004 /nfs/dbraw/zinc/01/00/04/208010004.db2.gz DAFVRNPVCJSEBF-KRWDZBQOSA-N 1 1 380.496 2.725 40 0 GFABMO Cc1cccnc1Nc1nccc([C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072377585 208010011 /nfs/dbraw/zinc/01/00/11/208010011.db2.gz DAFVRNPVCJSEBF-KRWDZBQOSA-N 1 1 380.496 2.725 40 0 GFABMO Cc1[nH+]ccn1-c1cncc([C@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072378748 208010375 /nfs/dbraw/zinc/01/03/75/208010375.db2.gz PWDZOFDCIYJAKT-QGZVFWFLSA-N 1 1 387.440 2.636 40 0 GFABMO CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@H]4C[C@H]4C)CC3)n2)C1 ZINC000072399207 208014435 /nfs/dbraw/zinc/01/44/35/208014435.db2.gz RLQMQYYSZBJAFA-NXHRZFHOSA-N 1 1 386.540 2.720 40 0 GFABMO CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1CN(Cc1ccc(F)cc1)CCC2 ZINC000096055963 208258674 /nfs/dbraw/zinc/25/86/74/208258674.db2.gz XPPPHMCGAXXDBQ-RXVVDRJESA-N 1 1 378.488 2.549 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ncccn3)C[C@@H]1C[N@@H+](Cc1ccc(F)cc1)CCC2 ZINC000096056059 208259899 /nfs/dbraw/zinc/25/98/99/208259899.db2.gz DTGRRXGYANOVKT-AVRDEDQJSA-N 1 1 398.482 2.897 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)COCc1cnc(NCc3ccco3)nc12 ZINC000096244215 208292371 /nfs/dbraw/zinc/29/23/71/208292371.db2.gz IIHJBTYHCOJUTN-NRFANRHFSA-N 1 1 395.463 2.960 40 0 GFABMO CCOCC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(CC(C)C)[C@H]2CC1 ZINC000096263905 208298050 /nfs/dbraw/zinc/29/80/50/208298050.db2.gz GITXWLXWXHTXOR-ROUUACIJSA-N 1 1 396.553 2.595 40 0 GFABMO CC(C)N1c2sc(-c3ccsc3)nc2C[C@@H]1C(=O)N1CC[NH+](C)CC1 ZINC000096264472 208298648 /nfs/dbraw/zinc/29/86/48/208298648.db2.gz YPUHLZAECKZLCH-OAHLLOKOSA-N 1 1 376.551 2.785 40 0 GFABMO CSc1ccc(S(=O)(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000145820737 208486938 /nfs/dbraw/zinc/48/69/38/208486938.db2.gz KOAIJHOXQLKRAL-UHFFFAOYSA-N 1 1 392.546 2.719 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306134745 209102955 /nfs/dbraw/zinc/10/29/55/209102955.db2.gz NXBRFGVAZMRDIU-DLBZAZTESA-N 1 1 391.450 2.974 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000306134103 209102328 /nfs/dbraw/zinc/10/23/28/209102328.db2.gz NDOACNRXYQNQMM-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000306134103 209102331 /nfs/dbraw/zinc/10/23/31/209102331.db2.gz NDOACNRXYQNQMM-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306134102 209101416 /nfs/dbraw/zinc/10/14/16/209101416.db2.gz NDOACNRXYQNQMM-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306134102 209101419 /nfs/dbraw/zinc/10/14/19/209101419.db2.gz NDOACNRXYQNQMM-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO c1c([C@@H]2C[N@H+](CC3CC3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306131311 209100807 /nfs/dbraw/zinc/10/08/07/209100807.db2.gz KBHFIFMFOVFVII-NRFANRHFSA-N 1 1 395.551 2.650 40 0 GFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4cc(F)cc(F)c4)C[C@H]32)c(OC)n1 ZINC000072392608 222249778 /nfs/dbraw/zinc/24/97/78/222249778.db2.gz SOLZYSCQPFICIL-WSXQUGQNSA-N 1 1 391.418 2.502 40 0 GFABMO FC(F)(F)c1nc(-c2cncc([C@@H]3CCC[N@@H+](Cc4cncnc4)C3)n2)no1 ZINC000585291008 570259446 /nfs/dbraw/zinc/25/94/46/570259446.db2.gz ZCIAFSDBRWMTRT-GFCCVEGCSA-N 1 1 391.357 2.715 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(COc3cccc(C)c3)o2)CC1 ZINC000020760079 570281310 /nfs/dbraw/zinc/28/13/10/570281310.db2.gz ZLFCLXZZSFLIGJ-UHFFFAOYSA-N 1 1 390.509 2.603 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cccc(NS(C)(=O)=O)c2C)cc1 ZINC000216186760 570296722 /nfs/dbraw/zinc/29/67/22/570296722.db2.gz NCGKBYBVXMDAOO-UHFFFAOYSA-N 1 1 398.488 2.791 40 0 GFABMO CC[NH+]1CCN([C@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000035310868 570465741 /nfs/dbraw/zinc/46/57/41/570465741.db2.gz RHNTXWMAOWIHMY-GOSISDBHSA-N 1 1 386.500 2.649 40 0 GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42CC[C@@]1(OC)[C@H](C(C)(C)O)C2 ZINC000008665386 570536919 /nfs/dbraw/zinc/53/69/19/570536919.db2.gz MKWFKXIKUBABHP-MVMBAIFLSA-N 1 1 399.531 2.910 40 0 GFABMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000036056953 570560259 /nfs/dbraw/zinc/56/02/59/570560259.db2.gz MCHFBOWIQTZUNS-UONOGXRCSA-N 1 1 391.393 2.925 40 0 GFABMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)Nc1ccc(C(F)(F)F)cc1 ZINC000036056953 570560263 /nfs/dbraw/zinc/56/02/63/570560263.db2.gz MCHFBOWIQTZUNS-UONOGXRCSA-N 1 1 391.393 2.925 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1 ZINC000012183074 570619844 /nfs/dbraw/zinc/61/98/44/570619844.db2.gz XJPRCFDKBLIFEL-UHFFFAOYSA-N 1 1 395.507 2.523 40 0 GFABMO CCn1cc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)cn1 ZINC000012185472 570620517 /nfs/dbraw/zinc/62/05/17/570620517.db2.gz GVHJZKKOXSSDMZ-UHFFFAOYSA-N 1 1 378.436 2.778 40 0 GFABMO CCn1cc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)cn1 ZINC000012185472 570620521 /nfs/dbraw/zinc/62/05/21/570620521.db2.gz GVHJZKKOXSSDMZ-UHFFFAOYSA-N 1 1 378.436 2.778 40 0 GFABMO Cc1c(C[N@H+]2C[C@@H](c3ccccc3)C3(C2)CCCCC3)c(=O)n(C)c(=O)n1C ZINC000012228080 570629122 /nfs/dbraw/zinc/62/91/22/570629122.db2.gz FMTZDHHVGVTVMX-FQEVSTJZSA-N 1 1 381.520 2.942 40 0 GFABMO CCC[N@H+]1C[C@H](NC(=O)c2nn(C)cc2Cl)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364788 570646662 /nfs/dbraw/zinc/64/66/62/570646662.db2.gz NPDSPNDDZFIRNM-WBVHZDCISA-N 1 1 376.888 2.690 40 0 GFABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000072341145 570880895 /nfs/dbraw/zinc/88/08/95/570880895.db2.gz CFECCYGMHUMAFX-MGPUTAFESA-N 1 1 393.491 2.630 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(COc3ccc(C)cc3)o2)CC1 ZINC000025854883 570906361 /nfs/dbraw/zinc/90/63/61/570906361.db2.gz MHKFUCYIFWFWDY-UHFFFAOYSA-N 1 1 390.509 2.603 40 0 GFABMO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CC[N@H+]2C[C@H]2CCCO2)C1 ZINC000585101708 570926880 /nfs/dbraw/zinc/92/68/80/570926880.db2.gz AOKZISPLNXBFRT-CRAIPNDOSA-N 1 1 383.414 2.960 40 0 GFABMO C[N@H+](Cc1cccnc1)C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2 ZINC000585103418 570931966 /nfs/dbraw/zinc/93/19/66/570931966.db2.gz GEYSRUSFIHHMBS-OAQYLSRUSA-N 1 1 395.503 2.931 40 0 GFABMO CC(C)CC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106019 570936009 /nfs/dbraw/zinc/93/60/09/570936009.db2.gz FCILCPAGBWOSQT-MOPGFXCFSA-N 1 1 387.499 2.524 40 0 GFABMO COc1cccc(S(=O)(=O)N2CC[C@H]3[C@@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107896 570939542 /nfs/dbraw/zinc/93/95/42/570939542.db2.gz CQQMRIZIHURUTE-PXNSSMCTSA-N 1 1 378.538 2.970 40 0 GFABMO CC(C)NC(=O)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299212 291119244 /nfs/dbraw/zinc/11/92/44/291119244.db2.gz KNSKKFWVERUHCL-POAQFYNOSA-N 1 1 399.564 2.805 40 0 biogenic,in-vitro GFABMO CC[N@H+]1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC ZINC000004217021 206260563 /nfs/dbraw/zinc/26/05/63/206260563.db2.gz VBWVFQIJCNAECD-GOSISDBHSA-N 1 1 386.565 2.936 40 0 GFABMO COc1c(C)cccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019235831 207110082 /nfs/dbraw/zinc/11/00/82/207110082.db2.gz CLWOUHQWJJYUBK-MRXNPFEDSA-N 1 1 380.492 2.801 40 0 GFABMO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019078500 207101749 /nfs/dbraw/zinc/10/17/49/207101749.db2.gz RPDOHJNRDBCLNW-CVEARBPZSA-N 1 1 398.482 2.777 40 0 GFABMO Cc1cccc(-n2cccc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)n1 ZINC000019236401 207109610 /nfs/dbraw/zinc/10/96/10/207109610.db2.gz VBHQYFDUMCRMSI-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO Cc1cccc(-n2cccc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)n1 ZINC000019236401 207109613 /nfs/dbraw/zinc/10/96/13/207109613.db2.gz VBHQYFDUMCRMSI-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO CC(=O)N1CC[C@H](c2ncc3c(n2)CC[N@@H+](CCCOc2ccccc2C)C3)C1 ZINC000019237409 207112123 /nfs/dbraw/zinc/11/21/23/207112123.db2.gz WROXZKJJPUQVAG-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO CC(=O)N1CC[C@H](c2ncc3c(n2)CC[N@H+](CCCOc2ccccc2C)C3)C1 ZINC000019237409 207112128 /nfs/dbraw/zinc/11/21/28/207112128.db2.gz WROXZKJJPUQVAG-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)CCc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000019287856 207113928 /nfs/dbraw/zinc/11/39/28/207113928.db2.gz QHVWDIVFJMMWKE-MRXNPFEDSA-N 1 1 383.492 2.501 40 0 GFABMO COc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285519 207110679 /nfs/dbraw/zinc/11/06/79/207110679.db2.gz BXSDOEIXGJPPND-VQTJNVASSA-N 1 1 376.460 2.865 40 0 GFABMO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019498845 207125402 /nfs/dbraw/zinc/12/54/02/207125402.db2.gz GYCPOGQNYFSDJS-GOSISDBHSA-N 1 1 381.480 2.599 40 0 GFABMO CCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019498845 207125406 /nfs/dbraw/zinc/12/54/06/207125406.db2.gz GYCPOGQNYFSDJS-GOSISDBHSA-N 1 1 381.480 2.599 40 0 GFABMO CCn1ncc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccc(OC)cc4)C[C@@H]32)c1C ZINC000019523968 207128311 /nfs/dbraw/zinc/12/83/11/207128311.db2.gz LUXWGRNAAKHRTI-NQIIRXRSSA-N 1 1 382.508 2.957 40 0 GFABMO CCc1nc(N2CCN(C(=O)c3ccc(C)c(-n4cccn4)c3)CC2)cc(C)[nH+]1 ZINC000019523144 207129263 /nfs/dbraw/zinc/12/92/63/207129263.db2.gz QDVWTBUAYUCXLZ-UHFFFAOYSA-N 1 1 390.491 2.804 40 0 GFABMO COc1cc2c(cc1C[N@H+]1CC[C@]3(C1)CCc1ccccc1C(=O)N3)OCCO2 ZINC000019550563 207130549 /nfs/dbraw/zinc/13/05/49/207130549.db2.gz NHGLISCFMUQMQT-QHCPKHFHSA-N 1 1 394.471 2.787 40 0 GFABMO Cc1nc(N(C)C)ncc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000019552769 207133255 /nfs/dbraw/zinc/13/32/55/207133255.db2.gz USXFHUFUEGVIBG-IBGZPJMESA-N 1 1 385.487 2.947 40 0 GFABMO Cc1cc(C)cc(C2(C(=O)NC[C@@H](C(C)C)[NH+]3CCOCC3)CCOCC2)c1 ZINC000019662085 207147734 /nfs/dbraw/zinc/14/77/34/207147734.db2.gz JWMKJNLJYPNEQW-NRFANRHFSA-N 1 1 388.552 2.825 40 0 GFABMO COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)cc21 ZINC000019590543 207141627 /nfs/dbraw/zinc/14/16/27/207141627.db2.gz GADKYYBKGXNWNW-IBGZPJMESA-N 1 1 391.475 2.932 40 0 GFABMO Cc1[nH+]ccn1Cc1cccc(NC(=O)Cn2c(C)nc3ccccc3c2=O)c1 ZINC000019715211 207151671 /nfs/dbraw/zinc/15/16/71/207151671.db2.gz RMNIBFAWTSEURF-UHFFFAOYSA-N 1 1 387.443 2.897 40 0 GFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000019711446 207152480 /nfs/dbraw/zinc/15/24/80/207152480.db2.gz HFAYJWWKWYVXQX-MRXNPFEDSA-N 1 1 395.507 2.535 40 0 GFABMO O=C(C[N@@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1)NCc1ccccn1 ZINC000019715560 207153742 /nfs/dbraw/zinc/15/37/42/207153742.db2.gz IIBHVGHBMRYYEV-OAHLLOKOSA-N 1 1 381.455 2.668 40 0 GFABMO Cc1cc2c(cc1C[N@@H+](C)Cc1ccccc1N1CCOCC1)n(C)c(=O)n2C ZINC000019715791 207154693 /nfs/dbraw/zinc/15/46/93/207154693.db2.gz XCPBGZCZFIXCIO-UHFFFAOYSA-N 1 1 394.519 2.654 40 0 GFABMO CO[C@H](C[NH+]1CCN(C[C@H](O)[C@@H](OC)c2ccccc2)CC1)c1ccccc1 ZINC000030691540 207373641 /nfs/dbraw/zinc/37/36/41/207373641.db2.gz VSTNNAYSCJQCQI-ZRBLBEILSA-N 1 1 384.520 2.740 40 0 in-man GFABMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@H]12 ZINC000096058467 208258372 /nfs/dbraw/zinc/25/83/72/208258372.db2.gz GGCXBVIXFUQBIV-RBUKOAKNSA-N 1 1 376.547 2.926 40 0 GFABMO Cc1noc(C)c1C(=O)N1CCC2(C[C@H]([N@@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096220883 208285629 /nfs/dbraw/zinc/28/56/29/208285629.db2.gz BBMNTVDYPGICQV-SFHVURJKSA-N 1 1 384.480 2.582 40 0 GFABMO COc1ncccc1C[N@H+]1CC[C@@]2(C[C@H](OCc3csc(C)n3)CO2)C1 ZINC000096218477 208286267 /nfs/dbraw/zinc/28/62/67/208286267.db2.gz BGLHLMKQWQPXGM-PKOBYXMFSA-N 1 1 375.494 2.805 40 0 GFABMO Cc1ccccc1C[N@@H+]1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251929 208295159 /nfs/dbraw/zinc/29/51/59/208295159.db2.gz DXVVGYLDPLPEMG-RBUKOAKNSA-N 1 1 398.532 2.503 40 0 GFABMO Cc1ccccc1C[N@H+]1C[C@@H]2c3nc(NCC4CC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC000096251929 208295163 /nfs/dbraw/zinc/29/51/63/208295163.db2.gz DXVVGYLDPLPEMG-RBUKOAKNSA-N 1 1 398.532 2.503 40 0 GFABMO CCc1ccc(C[N@H+]2CCOC[C@]3(CC[C@H](CNc4ncccn4)O3)C2)cc1 ZINC000306127580 209097522 /nfs/dbraw/zinc/09/75/22/209097522.db2.gz GCPWITIYXUUKQD-IRLDBZIGSA-N 1 1 382.508 2.901 40 0 GFABMO CN(C)C(=O)c1sc2nccnc2c1C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000257217623 209058286 /nfs/dbraw/zinc/05/82/86/209058286.db2.gz CZUREKRTDQJTDK-UHFFFAOYSA-N 1 1 387.553 2.667 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000257250706 209060402 /nfs/dbraw/zinc/06/04/02/209060402.db2.gz JNRUDQBCAHELSL-HSZRJFAPSA-N 1 1 397.519 2.595 40 0 GFABMO O=C(CO)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)C[N@H+]2Cc1ccccc1 ZINC000257282209 209067198 /nfs/dbraw/zinc/06/71/98/209067198.db2.gz OSWJNYYRMQYJGH-BJLQDIEVSA-N 1 1 386.442 2.774 40 0 GFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@]12CCCO2 ZINC000257284685 209068109 /nfs/dbraw/zinc/06/81/09/209068109.db2.gz PDUKEHYXRBOHBE-WBVHZDCISA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@]12CCCO2 ZINC000257284685 209068114 /nfs/dbraw/zinc/06/81/14/209068114.db2.gz PDUKEHYXRBOHBE-WBVHZDCISA-N 1 1 383.286 2.658 40 0 GFABMO CCn1c(CCC(=O)N[C@@H]2CCC[C@@H](n3cc[nH+]c3C)[C@@H]2O)nc2ccccc21 ZINC000257296004 209071472 /nfs/dbraw/zinc/07/14/72/209071472.db2.gz RAURNYQWVOXRIG-SFGWALBWSA-N 1 1 395.507 2.765 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)Cn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257308422 209072362 /nfs/dbraw/zinc/07/23/62/209072362.db2.gz TWQUNWBGZGFUQQ-YFVAEKQCSA-N 1 1 395.507 2.936 40 0 GFABMO Cc1ccccc1C[N@H+]1CC[C@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244579 136185742 /nfs/dbraw/zinc/18/57/42/136185742.db2.gz UKRVARDUBIEVTF-QHCPKHFHSA-N 1 1 394.519 2.604 40 0 GFABMO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@H+](Cc3cccc(C)n3)[C@@H]2C1 ZINC000257322146 209074584 /nfs/dbraw/zinc/07/45/84/209074584.db2.gz WETIXYJJVJFRRB-AFXVXQJMSA-N 1 1 379.504 2.587 40 0 GFABMO C[NH+](C)Cc1cc(CC2(NCc3ccc(OC(F)(F)F)cc3)COC2)no1 ZINC000067897785 222167087 /nfs/dbraw/zinc/16/70/87/222167087.db2.gz OVMXRKCLUWORMI-UHFFFAOYSA-N 1 1 385.386 2.736 40 0 biogenic,in-vitro GFABMO COCCOc1cc(C[N@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)ccc1OC ZINC000072343316 222233031 /nfs/dbraw/zinc/23/30/31/222233031.db2.gz LHTSPDYUIIYRMI-GHTZIAJQSA-N 1 1 382.460 2.955 40 0 GFABMO COCCOc1cc(C[N@@H+]2C[C@@H]3C(c4ccccc4)=NO[C@@H]3C2)ccc1OC ZINC000072343316 222233033 /nfs/dbraw/zinc/23/30/33/222233033.db2.gz LHTSPDYUIIYRMI-GHTZIAJQSA-N 1 1 382.460 2.955 40 0 GFABMO CC(C)(O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3ccc(F)c(F)c3)C2)cc1 ZINC000585273407 570241497 /nfs/dbraw/zinc/24/14/97/570241497.db2.gz UQDRCHUODXRBFS-PMACEKPBSA-N 1 1 393.430 2.739 40 0 GFABMO CC(C)(O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3ccc(F)cc3)C2)cc1 ZINC000585273471 570241793 /nfs/dbraw/zinc/24/17/93/570241793.db2.gz VULYTXZFKYIPML-PMACEKPBSA-N 1 1 375.440 2.600 40 0 GFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1OC ZINC000072227056 570319205 /nfs/dbraw/zinc/31/92/05/570319205.db2.gz GKKFWSBKQFYQAP-DLBZAZTESA-N 1 1 391.265 2.877 40 0 GFABMO C[N@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@H](O)COc1ccccc1 ZINC000257266366 570487839 /nfs/dbraw/zinc/48/78/39/570487839.db2.gz MCRJGJOFKFEQBW-FQEVSTJZSA-N 1 1 381.476 2.834 40 0 GFABMO COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)c2ccc(O)c([S@@](C)=O)c2)cc1 ZINC000011726814 570581055 /nfs/dbraw/zinc/58/10/55/570581055.db2.gz PAQZZCOZHPGCFW-JIEZPPNFSA-N 1 1 377.506 2.783 40 0 in-man GFABMO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCC[C@H]2CCCC[C@H]21 ZINC000012145793 570616284 /nfs/dbraw/zinc/61/62/84/570616284.db2.gz LQVWFXMHUDNVNB-IEBWSBKVSA-N 1 1 397.519 2.782 40 0 GFABMO COc1ccc2cc(C(=O)N3CCN(c4cc(C)[nH+]c(C)n4)CC3)n(C)c2c1 ZINC000012223024 570628569 /nfs/dbraw/zinc/62/85/69/570628569.db2.gz DSVQDQNPXAWEIA-UHFFFAOYSA-N 1 1 379.464 2.556 40 0 GFABMO COc1cccc(NC(=O)C[NH+]2CCC(n3nnc4cc(F)ccc43)CC2)c1 ZINC000004895550 570637201 /nfs/dbraw/zinc/63/72/01/570637201.db2.gz OCEBOTRNDSRKQX-UHFFFAOYSA-N 1 1 383.427 2.855 40 0 GFABMO C[NH+]1CCN(C(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)CC1 ZINC000044886029 570639042 /nfs/dbraw/zinc/63/90/42/570639042.db2.gz JPEDUGUCJPFTQF-UHFFFAOYSA-N 1 1 393.896 2.528 40 0 GFABMO COc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366336 570647233 /nfs/dbraw/zinc/64/72/33/570647233.db2.gz ZXDHHSAMJPHRST-LIMIJEPZSA-N 1 1 395.503 2.687 40 0 GFABMO Nc1cc(-c2cn[nH]c2[C@@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)ccn1 ZINC000257243651 570768761 /nfs/dbraw/zinc/76/87/61/570768761.db2.gz IHYBEMFFKQODMO-OAHLLOKOSA-N 1 1 395.438 2.978 40 0 GFABMO Cc1cccc(C(=O)NC2CC[NH+](CC(=O)NCc3ccccc3F)CC2)c1 ZINC000015935845 570908870 /nfs/dbraw/zinc/90/88/70/570908870.db2.gz YSIKLXFTLFTMLF-UHFFFAOYSA-N 1 1 383.467 2.645 40 0 GFABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2cccc(Cl)c2)C1 ZINC000585099073 570925166 /nfs/dbraw/zinc/92/51/66/570925166.db2.gz HXCFQVNSXVDWQZ-KRWDZBQOSA-N 1 1 375.900 2.926 40 0 GFABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000585099073 570925169 /nfs/dbraw/zinc/92/51/69/570925169.db2.gz HXCFQVNSXVDWQZ-KRWDZBQOSA-N 1 1 375.900 2.926 40 0 GFABMO Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)c1 ZINC000585106258 570936475 /nfs/dbraw/zinc/93/64/75/570936475.db2.gz ZSROCFNICQUBSD-RTWAWAEBSA-N 1 1 395.547 2.838 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306144179 209108552 /nfs/dbraw/zinc/10/85/52/209108552.db2.gz YYCRLPCVRVYQQC-NVXWUHKLSA-N 1 1 398.532 2.597 40 0 GFABMO COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)n2cccc2C(=O)N3Cc2ccccn2)cc1 ZINC000306142031 209108219 /nfs/dbraw/zinc/10/82/19/209108219.db2.gz WNKDGLRNSUPCJZ-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](C)CO)nc(C(C)C)[nH+]1)C2 ZINC000328999386 206240428 /nfs/dbraw/zinc/24/04/28/206240428.db2.gz JWYGHGPUZZURLN-AWEZNQCLSA-N 1 1 384.480 2.742 40 0 GFABMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccccc2Cl)CC1 ZINC000024171323 206254313 /nfs/dbraw/zinc/25/43/13/206254313.db2.gz SNDSGFCKAMAYJC-MRXNPFEDSA-N 1 1 376.884 2.911 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306140047 209107054 /nfs/dbraw/zinc/10/70/54/209107054.db2.gz UIFQRKLAPBZBPY-RHSMWYFYSA-N 1 1 398.532 2.597 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306140319 209105873 /nfs/dbraw/zinc/10/58/73/209105873.db2.gz UPRKFLVGQDOYPL-CABCVRRESA-N 1 1 385.899 2.518 40 0 GFABMO Cc1ccc([C@H](C)C(=O)N2CCC[C@@H](c3nc4c(c(=O)[nH]3)C[N@@H+](C)CC4)C2)cc1 ZINC000019135911 207104508 /nfs/dbraw/zinc/10/45/08/207104508.db2.gz SCTPXFWAHVPNQQ-FUHWJXTLSA-N 1 1 394.519 2.576 40 0 GFABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@@H+](CCOc2cccc(C)c2)C3)C1 ZINC000019235201 207108746 /nfs/dbraw/zinc/10/87/46/207108746.db2.gz YXHQXTQUDDXMFT-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO CC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](CCOc2cccc(C)c2)C3)C1 ZINC000019235201 207108751 /nfs/dbraw/zinc/10/87/51/207108751.db2.gz YXHQXTQUDDXMFT-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC ZINC000019239175 207110892 /nfs/dbraw/zinc/11/08/92/207110892.db2.gz TXOSSLDRUXFTOW-HNNXBMFYSA-N 1 1 381.436 2.842 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)n1 ZINC000019572899 207137692 /nfs/dbraw/zinc/13/76/92/207137692.db2.gz IWZCHNXLAKDKNH-YLJYHZDGSA-N 1 1 396.539 2.983 40 0 GFABMO COc1ccc(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)cc1 ZINC000019554827 207132314 /nfs/dbraw/zinc/13/23/14/207132314.db2.gz FNRUVFAZGGOKCC-OAQYLSRUSA-N 1 1 398.507 2.503 40 0 GFABMO COc1ccc(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@H]2CCCO2)cc1 ZINC000019554827 207132319 /nfs/dbraw/zinc/13/23/19/207132319.db2.gz FNRUVFAZGGOKCC-OAQYLSRUSA-N 1 1 398.507 2.503 40 0 GFABMO COc1cccc(C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1OC ZINC000019590697 207140700 /nfs/dbraw/zinc/14/07/00/207140700.db2.gz LRLYKAHBYSSGEZ-UHFFFAOYSA-N 1 1 396.491 2.502 40 0 GFABMO COc1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1OC ZINC000019590454 207142163 /nfs/dbraw/zinc/14/21/63/207142163.db2.gz HSCHTLIFZBLGOY-OAHLLOKOSA-N 1 1 396.491 2.502 40 0 GFABMO Cc1ccc2cc(C(=O)N3CCc4nnc([C@H]5CCC[N@H+](C)C5)n4CC3)[nH]c2c1 ZINC000019709260 207150335 /nfs/dbraw/zinc/15/03/35/207150335.db2.gz GJKOMFQYHNGYIM-KRWDZBQOSA-N 1 1 392.507 2.576 40 0 GFABMO CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCCc3ccccn3)n1)CC[N@@H+](C)C2 ZINC000019708655 207151031 /nfs/dbraw/zinc/15/10/31/207151031.db2.gz KPZLGLYORJWFNB-HXUWFJFHSA-N 1 1 394.523 2.588 40 0 GFABMO CC(=O)N1CCCC[C@@H]1c1nc2c(c(NCCc3ccccn3)n1)CC[N@H+](C)C2 ZINC000019708655 207151034 /nfs/dbraw/zinc/15/10/34/207151034.db2.gz KPZLGLYORJWFNB-HXUWFJFHSA-N 1 1 394.523 2.588 40 0 GFABMO Cc1cccc2[nH]c(C(=O)N3CCC(c4nnc5n4CC[N@H+](C)CC5)CC3)cc21 ZINC000019709402 207151332 /nfs/dbraw/zinc/15/13/32/207151332.db2.gz BNYMYLWJJCATSA-UHFFFAOYSA-N 1 1 392.507 2.576 40 0 GFABMO Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@H]3CCC[N@H+](C)C3)C2)ccc1F ZINC000019711125 207152775 /nfs/dbraw/zinc/15/27/75/207152775.db2.gz OVPKBGKVRXYYFF-SFHVURJKSA-N 1 1 399.514 2.900 40 0 GFABMO CCOCc1ccc(C(=O)N2CCCC[C@@H]2c2nnc3n2CC[N@H+](C)C3)cc1 ZINC000072373988 208007629 /nfs/dbraw/zinc/00/76/29/208007629.db2.gz QBOFZIOUJFRCHM-GOSISDBHSA-N 1 1 383.496 2.627 40 0 GFABMO CC(C)c1ccc(CN2CC[C@@]3(CC(C(=O)NCC[NH+]4CCCC4)=NO3)C2)cc1 ZINC000096225593 208287876 /nfs/dbraw/zinc/28/78/76/208287876.db2.gz IZJNOFFGHOJYAE-HSZRJFAPSA-N 1 1 398.551 2.743 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306133256 209101632 /nfs/dbraw/zinc/10/16/32/209101632.db2.gz MGUDTYBXZFRPQL-GJZGRUSLSA-N 1 1 379.489 2.896 40 0 GFABMO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1cccc(Cl)c1 ZINC000257302699 209071747 /nfs/dbraw/zinc/07/17/47/209071747.db2.gz SDYMFDPRFXCHIO-MJGOQNOKSA-N 1 1 377.916 2.804 40 0 GFABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096050143 136183375 /nfs/dbraw/zinc/18/33/75/136183375.db2.gz BZIGGYLHNBMFLW-QFIPXVFZSA-N 1 1 381.451 2.666 40 0 GFABMO C[N@@H+]1CCC[C@@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn43)s2)C1 ZINC000585263123 565104018 /nfs/dbraw/zinc/10/40/18/565104018.db2.gz MWRKTKAVSSSKHK-GFCCVEGCSA-N 1 1 375.885 2.935 40 0 GFABMO C[N@H+]1CCC[C@@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn43)s2)C1 ZINC000585263123 565104022 /nfs/dbraw/zinc/10/40/22/565104022.db2.gz MWRKTKAVSSSKHK-GFCCVEGCSA-N 1 1 375.885 2.935 40 0 GFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1C[N@@H+](Cc1ccccc1)CC2 ZINC000585261348 570228048 /nfs/dbraw/zinc/22/80/48/570228048.db2.gz LSUHQMCIWBRIOL-WXFUMESZSA-N 1 1 391.515 2.987 40 0 GFABMO CC(=O)N1CC[N@H+](C2CCCCC2)C[C@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284224 570253477 /nfs/dbraw/zinc/25/34/77/570253477.db2.gz VWDRGDOXPCPPSE-NRFANRHFSA-N 1 1 378.488 2.741 40 0 GFABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585285535 570254597 /nfs/dbraw/zinc/25/45/97/570254597.db2.gz ZETOWGFKJSDDMZ-VXKWHMMOSA-N 1 1 385.552 2.802 40 0 GFABMO CN1CC[NH+](CCCNC(=O)CSCc2c(Cl)cccc2Cl)CC1 ZINC000022829377 570377489 /nfs/dbraw/zinc/37/74/89/570377489.db2.gz OFESSDCZGOHLCF-UHFFFAOYSA-N 1 1 390.380 2.980 40 0 GFABMO CC[NH+]1CCN([C@@H](c2cccs2)c2nnnn2Cc2ccc(F)cc2)CC1 ZINC000035310867 570465700 /nfs/dbraw/zinc/46/57/00/570465700.db2.gz RHNTXWMAOWIHMY-SFHVURJKSA-N 1 1 386.500 2.649 40 0 GFABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734386 570568664 /nfs/dbraw/zinc/56/86/64/570568664.db2.gz ZHQHRAXXBPQXFL-PXNSSMCTSA-N 1 1 390.524 2.852 40 0 GFABMO CCOC(=O)N1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038836314 570587179 /nfs/dbraw/zinc/58/71/79/570587179.db2.gz OMNZALSRRKNOKR-KRWDZBQOSA-N 1 1 393.915 2.853 40 0 GFABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](c2nc(C)ncc2-c2ccncc2)C1 ZINC000012115925 570610677 /nfs/dbraw/zinc/61/06/77/570610677.db2.gz OBPZMKPLUNVMIC-SFHVURJKSA-N 1 1 376.464 2.758 40 0 GFABMO COCCn1c(C)cc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)c1C ZINC000012122488 570612973 /nfs/dbraw/zinc/61/29/73/570612973.db2.gz WSZRXHMEQICJFT-UHFFFAOYSA-N 1 1 393.491 2.867 40 0 GFABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)CC3=CCCOC3)CC2)nn1C ZINC000257219738 570889899 /nfs/dbraw/zinc/88/98/99/570889899.db2.gz DHYVXMABIDGJFU-KESTWPANSA-N 1 1 388.556 2.951 40 0 GFABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccccc2F)CC1 ZINC000019528091 570928733 /nfs/dbraw/zinc/92/87/33/570928733.db2.gz PHEXIPXQIOLREB-FQEVSTJZSA-N 1 1 380.471 2.587 40 0 GFABMO COCC[N@H+]1C[C@H](COCC2CC2)C2(C1)CCN(Cc1cc(C)on1)CC2 ZINC000585102701 570931103 /nfs/dbraw/zinc/93/11/03/570931103.db2.gz BBGSWBSPXVMBOY-LJQANCHMSA-N 1 1 377.529 2.570 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(NCCCO)nc(C3CC3)[nH+]1)CC2 ZINC000328968411 571048067 /nfs/dbraw/zinc/04/80/67/571048067.db2.gz CYPRNGNUKTZBPX-UHFFFAOYSA-N 1 1 384.480 2.728 40 0 GFABMO CC(C)[C@H]1COC[C@](CO)(CNC(=O)OC(C)(C)C)[N@@H+]1Cc1ccccc1 ZINC000306145846 209109219 /nfs/dbraw/zinc/10/92/19/209109219.db2.gz SGWAHZVWQHERSB-WIYYLYMNSA-N 1 1 378.513 2.799 40 0 GFABMO CC(C)[C@H]1COC[C@](CO)(CNC(=O)OC(C)(C)C)[N@H+]1Cc1ccccc1 ZINC000306145846 209109224 /nfs/dbraw/zinc/10/92/24/209109224.db2.gz SGWAHZVWQHERSB-WIYYLYMNSA-N 1 1 378.513 2.799 40 0 GFABMO Cc1nc(N[C@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329031190 206242835 /nfs/dbraw/zinc/24/28/35/206242835.db2.gz QHISMVKXFPLMND-LLVKDONJSA-N 1 1 377.286 2.903 40 0 GFABMO Cc1cccc(C)c1OCCO[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000027530929 206253595 /nfs/dbraw/zinc/25/35/95/206253595.db2.gz KDRYWTJLQOOGNH-QFIPXVFZSA-N 1 1 384.520 2.835 40 0 GFABMO COc1cccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139383 209106229 /nfs/dbraw/zinc/10/62/29/209106229.db2.gz SVWCZTZYFSVKMK-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO CC(C)c1ccc(C[N@H+]2C[C@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)cc1 ZINC000306140556 209105799 /nfs/dbraw/zinc/10/57/99/209105799.db2.gz UXELOJHQQSGGEJ-IEBWSBKVSA-N 1 1 379.508 2.913 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CC[N@@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000019235187 207110267 /nfs/dbraw/zinc/11/02/67/207110267.db2.gz JMVWQDDTJDHDLO-SFHVURJKSA-N 1 1 380.492 2.558 40 0 GFABMO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078773 207101063 /nfs/dbraw/zinc/10/10/63/207101063.db2.gz YJCLPKUGIOVFLJ-AUUYWEPGSA-N 1 1 384.455 2.735 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccccc3C)C2)c2cccnc21 ZINC000019237164 207110500 /nfs/dbraw/zinc/11/05/00/207110500.db2.gz SQCWZSFLMHRQCZ-IBGZPJMESA-N 1 1 377.492 2.865 40 0 GFABMO COc1cccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)c1 ZINC000019131343 207104497 /nfs/dbraw/zinc/10/44/97/207104497.db2.gz ABJIKTQFPVRRND-QIDMFYOTSA-N 1 1 383.492 2.509 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3C)C2)c2cccnc21 ZINC000019237163 207111517 /nfs/dbraw/zinc/11/15/17/207111517.db2.gz SQCWZSFLMHRQCZ-LJQANCHMSA-N 1 1 377.492 2.865 40 0 GFABMO c1cncc(Oc2nc(N3CCCC3)nc3c2CC[N@H+](C[C@@H]2CCOC2)C3)c1 ZINC000019339875 207116688 /nfs/dbraw/zinc/11/66/88/207116688.db2.gz XEQZSDFANIGZFY-INIZCTEOSA-N 1 1 381.480 2.659 40 0 GFABMO COc1cccc(N2CC[NH+](C[C@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000019565857 207136246 /nfs/dbraw/zinc/13/62/46/207136246.db2.gz SJVSYWYHKHNUSQ-FQEVSTJZSA-N 1 1 384.476 2.712 40 0 GFABMO CN(C)C(=O)c1[nH]c(C2CC[NH+](Cc3ncc[nH]3)CC2)nc1-c1ccccc1 ZINC000019697011 207148150 /nfs/dbraw/zinc/14/81/50/207148150.db2.gz CPMYRDKSYCNPRF-UHFFFAOYSA-N 1 1 378.480 2.881 40 0 GFABMO Nc1[nH]nc2nc([C@@H]3CCCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c12 ZINC000019695539 207149017 /nfs/dbraw/zinc/14/90/17/207149017.db2.gz MGVOLBZBSYRBOX-ZDUSSCGKSA-N 1 1 396.417 2.708 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 ZINC000019590502 207142831 /nfs/dbraw/zinc/14/28/31/207142831.db2.gz PFTYEGPISJSKEX-IBGZPJMESA-N 1 1 390.491 2.637 40 0 GFABMO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000019705537 207150823 /nfs/dbraw/zinc/15/08/23/207150823.db2.gz VEQHKZIQJOPNRT-KRWDZBQOSA-N 1 1 383.496 2.553 40 0 GFABMO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000019705537 207150827 /nfs/dbraw/zinc/15/08/27/207150827.db2.gz VEQHKZIQJOPNRT-KRWDZBQOSA-N 1 1 383.496 2.553 40 0 GFABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2CC1 ZINC000019710792 207152329 /nfs/dbraw/zinc/15/23/29/207152329.db2.gz MJSZCLKFPPKFEK-GOSISDBHSA-N 1 1 385.487 2.592 40 0 GFABMO FC(F)(F)c1nc2nc(Cl)c(Cl)nc2n1CCC[NH+]1CCOCC1 ZINC000031719790 207384094 /nfs/dbraw/zinc/38/40/94/207384094.db2.gz SEVICFAAJPXUER-UHFFFAOYSA-N 1 1 384.189 2.874 40 0 in-vitro GFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 ZINC000072374275 208009411 /nfs/dbraw/zinc/00/94/11/208009411.db2.gz OZSXNNSUYFVRRT-QGZVFWFLSA-N 1 1 397.523 2.859 40 0 GFABMO CC[N@H+]1CC[C@@]2(C(=O)N3CCCC3)CCN(C(=O)c3cccc(OC)c3)CC[C@@H]12 ZINC000096145334 208274920 /nfs/dbraw/zinc/27/49/20/208274920.db2.gz HMQGMSYVNMLTBV-NFBKMPQASA-N 1 1 399.535 2.634 40 0 GFABMO COc1ncccc1C[N@H+]1CC[C@]2(C[C@@H](OCc3csc(C)n3)CO2)C1 ZINC000096218480 208285929 /nfs/dbraw/zinc/28/59/29/208285929.db2.gz BGLHLMKQWQPXGM-MJGOQNOKSA-N 1 1 375.494 2.805 40 0 GFABMO Cn1cccc1C[N@H+]1CCOCC2(CCN(C(=O)c3cccc(F)c3)CC2)C1 ZINC000096239872 208293443 /nfs/dbraw/zinc/29/34/43/208293443.db2.gz CAOARHWAORUHLH-UHFFFAOYSA-N 1 1 385.483 2.919 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244070 208293651 /nfs/dbraw/zinc/29/36/51/208293651.db2.gz XVVYLVXFSBIPGI-JOCHJYFZSA-N 1 1 380.492 2.981 40 0 GFABMO COc1ccc(-c2nnc3n(c2=O)CC[C@@]32CC[N@@H+](Cc3ccsc3)C2)cc1 ZINC000306135718 209104814 /nfs/dbraw/zinc/10/48/14/209104814.db2.gz OYMVQJCKPXBJHE-OAQYLSRUSA-N 1 1 394.500 2.923 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(F)c3)C[C@H]1C2 ZINC000306131051 209099702 /nfs/dbraw/zinc/09/97/02/209099702.db2.gz JVIAUTCSXBNKOV-IAGOWNOFSA-N 1 1 391.450 2.974 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306126744 209097243 /nfs/dbraw/zinc/09/72/43/209097243.db2.gz FDULWWGQZVCOBF-LSDHHAIUSA-N 1 1 381.411 2.567 40 0 GFABMO CC(=O)Nc1nc(C)c(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCCC[C@H]4[N@@H+](C)C3)s1 ZINC000257258450 209061646 /nfs/dbraw/zinc/06/16/46/209061646.db2.gz KTXKTGSRSKHOLI-QCUYGVNKSA-N 1 1 376.526 2.887 40 0 GFABMO CCCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000002098896 570298635 /nfs/dbraw/zinc/29/86/35/570298635.db2.gz HCEAKIKVACDQQZ-ZPMCFJSWSA-N 1 1 390.524 2.985 40 0 GFABMO CCCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(O)c(OC)c1 ZINC000002098896 570298637 /nfs/dbraw/zinc/29/86/37/570298637.db2.gz HCEAKIKVACDQQZ-ZPMCFJSWSA-N 1 1 390.524 2.985 40 0 GFABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000072227277 570318830 /nfs/dbraw/zinc/31/88/30/570318830.db2.gz CHECZOLRODREAC-CVEARBPZSA-N 1 1 377.238 2.882 40 0 GFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000072227057 570319411 /nfs/dbraw/zinc/31/94/11/570319411.db2.gz GKKFWSBKQFYQAP-IRXDYDNUSA-N 1 1 391.265 2.877 40 0 GFABMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048066034 570410523 /nfs/dbraw/zinc/41/05/23/570410523.db2.gz FWILCURGPSGSGA-UYDKOKGTSA-N 1 1 389.496 2.882 40 0 GFABMO CCOc1ccccc1C(=O)NC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000004909323 570416910 /nfs/dbraw/zinc/41/69/10/570416910.db2.gz SKJZEQJOFKKQAO-UHFFFAOYSA-N 1 1 387.524 2.728 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(CN2CCOCC2)c1 ZINC000038771565 570583270 /nfs/dbraw/zinc/58/32/70/570583270.db2.gz OUMQCTGNCPCHET-UHFFFAOYSA-N 1 1 390.487 2.943 40 0 GFABMO CC(=O)Nc1ccc(NC(=O)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc1 ZINC000012114363 570610127 /nfs/dbraw/zinc/61/01/27/570610127.db2.gz ZTKSGEIIQNZLLL-HTZLVSCSSA-N 1 1 383.448 2.691 40 0 GFABMO CC(=O)Nc1ccc(NC(=O)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccco2)C3)cc1 ZINC000012114363 570610130 /nfs/dbraw/zinc/61/01/30/570610130.db2.gz ZTKSGEIIQNZLLL-HTZLVSCSSA-N 1 1 383.448 2.691 40 0 GFABMO CCOc1ncc([C@@]2(O)CC[C@@H]3C[N@@H+](Cc4ccncc4C)C[C@@H]32)c(OCC)n1 ZINC000012134788 570614172 /nfs/dbraw/zinc/61/41/72/570614172.db2.gz MSBQDKBXVDWXEH-LZNRXBQRSA-N 1 1 398.507 2.707 40 0 GFABMO CCOc1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@H](C)O)OCO2 ZINC000012185705 570620469 /nfs/dbraw/zinc/62/04/69/570620469.db2.gz LXVACDOZXDUPMI-AWEZNQCLSA-N 1 1 387.432 2.926 40 0 GFABMO CCOc1cc2c(cc1C[N@H+](Cc1ccc3c(c1)OCO3)C[C@H](C)O)OCO2 ZINC000012185705 570620471 /nfs/dbraw/zinc/62/04/71/570620471.db2.gz LXVACDOZXDUPMI-AWEZNQCLSA-N 1 1 387.432 2.926 40 0 GFABMO CC[N@@H+](Cc1c(C)onc1-c1ccccc1)C[C@@]1(C)Cc2c(nc(N)nc2N)O1 ZINC000257242397 570768417 /nfs/dbraw/zinc/76/84/17/570768417.db2.gz ICHIHKRZXVJKEI-OAQYLSRUSA-N 1 1 394.479 2.820 40 0 GFABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2F)CC1 ZINC000019528087 570928719 /nfs/dbraw/zinc/92/87/19/570928719.db2.gz DLWJBRQOMKXVFU-HXUWFJFHSA-N 1 1 398.461 2.727 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[NH+]3CC(C)(OC)C3)C2)CC1 ZINC000585104861 570934070 /nfs/dbraw/zinc/93/40/70/570934070.db2.gz URBVHAZDBZUWMX-LJQANCHMSA-N 1 1 386.536 2.981 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106305 570936440 /nfs/dbraw/zinc/93/64/40/570936440.db2.gz QLGHHHKVLJHPLU-UAGQMJEPSA-N 1 1 389.565 2.898 40 0 GFABMO Cc1nc(N[C@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329029605 206240282 /nfs/dbraw/zinc/24/02/82/206240282.db2.gz PZLFVNKCRVJBDW-LLVKDONJSA-N 1 1 377.286 2.903 40 0 GFABMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)NC5CC5)nnc4[C@@H]3C2)cc1 ZINC000306140558 209106634 /nfs/dbraw/zinc/10/66/34/209106634.db2.gz UXELOJHQQSGGEJ-PKOBYXMFSA-N 1 1 379.508 2.913 40 0 GFABMO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1 ZINC000019022507 207101241 /nfs/dbraw/zinc/10/12/41/207101241.db2.gz WHAXCLNMNITHBG-OFNKIYASSA-N 1 1 391.471 2.804 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019021843 207101914 /nfs/dbraw/zinc/10/19/14/207101914.db2.gz JDWCTAAWCUOVRE-QGZVFWFLSA-N 1 1 381.455 2.696 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CC[N@@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000019235186 207108930 /nfs/dbraw/zinc/10/89/30/207108930.db2.gz JMVWQDDTJDHDLO-GOSISDBHSA-N 1 1 380.492 2.558 40 0 GFABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(C)[nH]c(=O)c2C3)ccc1OC(F)F ZINC000019286348 207113547 /nfs/dbraw/zinc/11/35/47/207113547.db2.gz LDAGHZXEMALIOE-KGLIPLIRSA-N 1 1 391.418 2.820 40 0 GFABMO CCn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523942 207127822 /nfs/dbraw/zinc/12/78/22/207127822.db2.gz YYGCXNQRHMSLEF-QGZVFWFLSA-N 1 1 384.528 2.665 40 0 GFABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC ZINC000019531998 207130275 /nfs/dbraw/zinc/13/02/75/207130275.db2.gz XXVPSXOGLBHACO-MRXNPFEDSA-N 1 1 387.480 2.703 40 0 GFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccsc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450091 207121236 /nfs/dbraw/zinc/12/12/36/207121236.db2.gz IUJBALGLLKHXBJ-ROUUACIJSA-N 1 1 399.564 2.879 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)n1 ZINC000019572905 207137953 /nfs/dbraw/zinc/13/79/53/207137953.db2.gz IWZCHNXLAKDKNH-XLIONFOSSA-N 1 1 396.539 2.983 40 0 GFABMO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019556789 207132634 /nfs/dbraw/zinc/13/26/34/207132634.db2.gz OQLDYGGEGQEGRY-JLTOFOAXSA-N 1 1 396.539 2.586 40 0 GFABMO COCc1ccc(C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019590692 207142344 /nfs/dbraw/zinc/14/23/44/207142344.db2.gz COITXFAPXWPULE-UHFFFAOYSA-N 1 1 380.492 2.631 40 0 GFABMO Cc1oc2c(c1C(=O)N1CCC(c3nnc4n3CC[N@H+](C)CC4)CC1)CCCC2 ZINC000019709440 207150842 /nfs/dbraw/zinc/15/08/42/207150842.db2.gz AROVJDUDZFDEBK-UHFFFAOYSA-N 1 1 397.523 2.566 40 0 GFABMO CC(=O)N1CCC[C@@H](c2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)C1 ZINC000019709289 207151084 /nfs/dbraw/zinc/15/10/84/207151084.db2.gz HDDJUNGYZWDZMU-HXUWFJFHSA-N 1 1 381.524 2.679 40 0 GFABMO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@@H]3CCC[N@H+](C)C3)C2)c1 ZINC000019710996 207152727 /nfs/dbraw/zinc/15/27/27/207152727.db2.gz XRGVXBPEKKQLJD-QGZVFWFLSA-N 1 1 397.523 2.596 40 0 GFABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)c(C)n1 ZINC000019715572 207153642 /nfs/dbraw/zinc/15/36/42/207153642.db2.gz DPVLNWSXKSHELL-INIZCTEOSA-N 1 1 380.496 2.916 40 0 GFABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)c(C)n1 ZINC000019715572 207153647 /nfs/dbraw/zinc/15/36/47/207153647.db2.gz DPVLNWSXKSHELL-INIZCTEOSA-N 1 1 380.496 2.916 40 0 GFABMO Cc1nc([C@@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019751877 207159758 /nfs/dbraw/zinc/15/97/58/207159758.db2.gz OGFLOJRLBSMCBJ-FQEVSTJZSA-N 1 1 380.492 2.985 40 0 GFABMO Cc1nc([C@@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019751877 207159762 /nfs/dbraw/zinc/15/97/62/207159762.db2.gz OGFLOJRLBSMCBJ-FQEVSTJZSA-N 1 1 380.492 2.985 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(COc3ccccc3C)o2)CC1 ZINC000022873661 207263274 /nfs/dbraw/zinc/26/32/74/207263274.db2.gz WRTGXFVDOIPTBT-UHFFFAOYSA-N 1 1 390.509 2.603 40 0 GFABMO Cc1cccnc1Nc1nccc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072377584 208007284 /nfs/dbraw/zinc/00/72/84/208007284.db2.gz DAFVRNPVCJSEBF-QGZVFWFLSA-N 1 1 380.496 2.725 40 0 GFABMO Cc1cccnc1Nc1nccc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072377584 208007291 /nfs/dbraw/zinc/00/72/91/208007291.db2.gz DAFVRNPVCJSEBF-QGZVFWFLSA-N 1 1 380.496 2.725 40 0 GFABMO CC(C)[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076235 208262166 /nfs/dbraw/zinc/26/21/66/208262166.db2.gz YWUQAUHYHWUCHU-HXUWFJFHSA-N 1 1 390.915 2.951 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CCc2cc(C(=O)N(C)C)c(NC(C)C)nc2CC1 ZINC000096100426 208263011 /nfs/dbraw/zinc/26/30/11/208263011.db2.gz ZCISYPHFEBKTTL-UHFFFAOYSA-N 1 1 385.512 2.809 40 0 GFABMO Cc1ccc(CNC(=O)[C@H]2CN(C)CC3(CC[NH+](Cc4ccco4)CC3)O2)cc1 ZINC000306134608 209101227 /nfs/dbraw/zinc/10/12/27/209101227.db2.gz NTMLDRYZCPOYEA-OAQYLSRUSA-N 1 1 397.519 2.570 40 0 GFABMO CN1CC[N@H+](Cc2cccnc2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306128342 209100118 /nfs/dbraw/zinc/10/01/18/209100118.db2.gz GXVXLGLYLLWKGE-HXUWFJFHSA-N 1 1 376.508 2.818 40 0 GFABMO CN1CC[N@@H+](Cc2cccnc2)C[C@@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306128342 209100121 /nfs/dbraw/zinc/10/01/21/209100121.db2.gz GXVXLGLYLLWKGE-HXUWFJFHSA-N 1 1 376.508 2.818 40 0 GFABMO C[N@H+]1CC[C@@H](COc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306130149 209100336 /nfs/dbraw/zinc/10/03/36/209100336.db2.gz IXMTUWWPXBUGNI-QGZVFWFLSA-N 1 1 393.487 2.727 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 ZINC000306129220 209100064 /nfs/dbraw/zinc/10/00/64/209100064.db2.gz HXUHJPOHYJCNCI-QHCPKHFHSA-N 1 1 388.471 2.861 40 0 GFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129922 209099897 /nfs/dbraw/zinc/09/98/97/209099897.db2.gz IQQLTRAKSMRJIT-WIYYLYMNSA-N 1 1 386.496 2.522 40 0 GFABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@@H+](CC3CC3)C2)CN1Cc1ccccn1 ZINC000306126387 209097344 /nfs/dbraw/zinc/09/73/44/209097344.db2.gz DUJBVUYHNVNHAG-NRFANRHFSA-N 1 1 399.516 2.519 40 0 GFABMO COc1ccc(CNC2=[NH+][C@H](c3ccc(C)cc3)n3c(=O)cc(C)nc3N2)cc1 ZINC000101983072 533657142 /nfs/dbraw/zinc/65/71/42/533657142.db2.gz YEHPMXPUVMGYJC-FQEVSTJZSA-N 1 1 389.459 2.987 40 0 GFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@@H](C)O1 ZINC000100135253 136188934 /nfs/dbraw/zinc/18/89/34/136188934.db2.gz ATDHLXQROIJYSZ-INMHGKMJSA-N 1 1 398.551 2.878 40 0 GFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@@H](C)O1 ZINC000100135253 136188935 /nfs/dbraw/zinc/18/89/35/136188935.db2.gz ATDHLXQROIJYSZ-INMHGKMJSA-N 1 1 398.551 2.878 40 0 GFABMO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@@H+](C2CCOCC2)C1 ZINC000015675128 560094999 /nfs/dbraw/zinc/09/49/99/560094999.db2.gz NGMSIDLIVISTIL-ZBFHGGJFSA-N 1 1 381.835 2.740 40 0 biogenic,in-vitro GFABMO O[C@@H]1C[C@@H](c2nc(Cc3ccc(F)cc3Cl)no2)[N@H+](C2CCOCC2)C1 ZINC000015675128 560095001 /nfs/dbraw/zinc/09/50/01/560095001.db2.gz NGMSIDLIVISTIL-ZBFHGGJFSA-N 1 1 381.835 2.740 40 0 biogenic,in-vitro GFABMO OCCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585273383 570241445 /nfs/dbraw/zinc/24/14/45/570241445.db2.gz UACOXXUCAMLOHC-PMACEKPBSA-N 1 1 377.868 2.725 40 0 GFABMO C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)[C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000055407199 570350096 /nfs/dbraw/zinc/35/00/96/570350096.db2.gz SUFUKTFASVRDSI-QKNQBKEWSA-N 1 1 385.552 2.704 40 0 GFABMO CC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 ZINC000036719620 570567889 /nfs/dbraw/zinc/56/78/89/570567889.db2.gz JGHDYMRVBUMKKQ-SFDCQRBFSA-N 1 1 387.450 2.895 40 0 GFABMO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 ZINC000036719620 570567896 /nfs/dbraw/zinc/56/78/96/570567896.db2.gz JGHDYMRVBUMKKQ-SFDCQRBFSA-N 1 1 387.450 2.895 40 0 GFABMO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c([S@@](C)=O)c2)cc1 ZINC000011726816 570581035 /nfs/dbraw/zinc/58/10/35/570581035.db2.gz PAQZZCOZHPGCFW-DEEXRXHISA-N 1 1 377.506 2.783 40 0 in-man GFABMO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000012118464 570612696 /nfs/dbraw/zinc/61/26/96/570612696.db2.gz UEGCMQNLXLEMCX-KRWDZBQOSA-N 1 1 383.496 2.940 40 0 GFABMO Cc1cc(-c2cnc(C)nc2[C@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000012118464 570612699 /nfs/dbraw/zinc/61/26/99/570612699.db2.gz UEGCMQNLXLEMCX-KRWDZBQOSA-N 1 1 383.496 2.940 40 0 GFABMO C[C@@H](O)C[N@@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185765 570620270 /nfs/dbraw/zinc/62/02/70/570620270.db2.gz YWAQLHWCUUBRFF-MRXNPFEDSA-N 1 1 382.460 2.925 40 0 GFABMO Cc1nc(SCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000225904123 570632312 /nfs/dbraw/zinc/63/23/12/570632312.db2.gz GOPTVCYSRDYNMK-OAHLLOKOSA-N 1 1 393.944 2.887 40 0 GFABMO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000225904123 570632314 /nfs/dbraw/zinc/63/23/14/570632314.db2.gz GOPTVCYSRDYNMK-OAHLLOKOSA-N 1 1 393.944 2.887 40 0 GFABMO Cc1nnc(SCCNC(=O)[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000225904123 570632317 /nfs/dbraw/zinc/63/23/17/570632317.db2.gz GOPTVCYSRDYNMK-OAHLLOKOSA-N 1 1 393.944 2.887 40 0 GFABMO CC1(C)[C@@H]2C[C@H]1C(COC[C@H](O)C[NH+]1CCN(c3nccs3)CC1)=CC2 ZINC000055471754 570695562 /nfs/dbraw/zinc/69/55/62/570695562.db2.gz DASNRJNGYIFZAE-KSZLIROESA-N 1 1 377.554 2.635 40 0 GFABMO O=C(Nc1ccccc1)C1CC[NH+]([C@H]2CC(=O)N(c3ccccc3)C2=O)CC1 ZINC000013636607 570765243 /nfs/dbraw/zinc/76/52/43/570765243.db2.gz LLUKCYRLKMDBNX-IBGZPJMESA-N 1 1 377.444 2.669 40 0 GFABMO CC(=O)N1CCC([N@H+]2CCCC[C@H]3CN(C(=O)Cc4ccccc4)C[C@H]32)CC1 ZINC000072330657 570879507 /nfs/dbraw/zinc/87/95/07/570879507.db2.gz NQKDPCKEGLOCIC-RBBKRZOGSA-N 1 1 383.536 2.553 40 0 GFABMO CCC[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501891 570927163 /nfs/dbraw/zinc/92/71/63/570927163.db2.gz CFTKGYMFAFACMO-PMACEKPBSA-N 1 1 384.528 2.511 40 0 GFABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585103289 570931619 /nfs/dbraw/zinc/93/16/19/570931619.db2.gz BHJPOOBGRBCKAV-LJQANCHMSA-N 1 1 398.482 2.759 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC ZINC000019567907 210265738 /nfs/dbraw/zinc/26/57/38/210265738.db2.gz JESSVTLLUJSAGT-INIZCTEOSA-N 1 1 394.479 2.665 40 0 GFABMO CCc1nc(N2CCN(C(=O)Cc3ccc4c(c3)CCCO4)CC2)cc(C)[nH+]1 ZINC000019523133 210256631 /nfs/dbraw/zinc/25/66/31/210256631.db2.gz ZSIIJDKPCZGYBI-UHFFFAOYSA-N 1 1 380.492 2.564 40 0 GFABMO C[C@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)ccc2O1 ZINC000019497926 210253479 /nfs/dbraw/zinc/25/34/79/210253479.db2.gz SHPAOOXBTXFXTM-DOTOQJQBSA-N 1 1 392.503 2.808 40 0 GFABMO C[C@H]1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@@H+]1C ZINC000019366295 210244579 /nfs/dbraw/zinc/24/45/79/210244579.db2.gz DXHCKJUCLLXPRL-FQEVSTJZSA-N 1 1 396.531 2.882 40 0 GFABMO C[C@H]1CCN(CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CC[N@H+]1C ZINC000019366295 210244584 /nfs/dbraw/zinc/24/45/84/210244584.db2.gz DXHCKJUCLLXPRL-FQEVSTJZSA-N 1 1 396.531 2.882 40 0 GFABMO C[C@H]1CC[N@@H+](CCCOC(=O)C(O)(c2ccccc2)c2ccccc2)CCN1C ZINC000019366295 210244575 /nfs/dbraw/zinc/24/45/75/210244575.db2.gz DXHCKJUCLLXPRL-FQEVSTJZSA-N 1 1 396.531 2.882 40 0 GFABMO O=C1CCOC[C@]2(C[N@@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000019294277 210239916 /nfs/dbraw/zinc/23/99/16/210239916.db2.gz XSQHZTLUGIXCKK-UWJYYQICSA-N 1 1 390.405 2.979 40 0 GFABMO O=C1CCOC[C@]2(C[N@H+](Cc3ccc(F)c(F)c3)C[C@H]2c2cccc(F)c2)N1 ZINC000019294277 210239921 /nfs/dbraw/zinc/23/99/21/210239921.db2.gz XSQHZTLUGIXCKK-UWJYYQICSA-N 1 1 390.405 2.979 40 0 GFABMO Cn1ccnc1[C@@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000019291278 210238316 /nfs/dbraw/zinc/23/83/16/210238316.db2.gz KNYMDYWDBFXOIA-NRFANRHFSA-N 1 1 380.467 2.963 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078797 210223634 /nfs/dbraw/zinc/22/36/34/210223634.db2.gz FSUXKVBEFDDMMY-MAUKXSAKSA-N 1 1 396.491 2.604 40 0 GFABMO Cc1csc(CN2CC3(C2)C[C@H](COc2ncccc2F)CC[N@@H+]3C)n1 ZINC000306141745 212055827 /nfs/dbraw/zinc/05/58/27/212055827.db2.gz WFBLZHPTQUHFIT-OAHLLOKOSA-N 1 1 376.501 2.961 40 0 GFABMO CN(Cc1ccccc1)C(=O)[C@H]1CN(C)CC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000306144534 212055515 /nfs/dbraw/zinc/05/55/15/212055515.db2.gz ZICHJTOGLCTLCG-OAQYLSRUSA-N 1 1 397.519 2.603 40 0 GFABMO c1c([C@H]2C[N@H+](CC3CC3)CCN2CC2CC2)nc2cccc(N3CCOCC3)n12 ZINC000306131312 212049356 /nfs/dbraw/zinc/04/93/56/212049356.db2.gz KBHFIFMFOVFVII-OAQYLSRUSA-N 1 1 395.551 2.650 40 0 GFABMO CC(C)CS(=O)(=O)N[C@H]1CCCC[C@]12C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123908 212044963 /nfs/dbraw/zinc/04/49/63/212044963.db2.gz BAHBELYJQDXKMC-AABGKKOBSA-N 1 1 384.586 2.932 40 0 GFABMO CC(=O)NCc1cccc(-c2cccnc2C(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000257318080 212023955 /nfs/dbraw/zinc/02/39/55/212023955.db2.gz VMKKKWKKKXFYGJ-IBGZPJMESA-N 1 1 380.492 2.599 40 0 GFABMO CCN1CC[N@H+](CC(=O)NC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000257319666 212023966 /nfs/dbraw/zinc/02/39/66/212023966.db2.gz VTNMKSNDMVSGBC-NRFANRHFSA-N 1 1 393.531 2.731 40 0 GFABMO CCN1CC[N@@H+](CC(=O)NC)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000257319666 212023968 /nfs/dbraw/zinc/02/39/68/212023968.db2.gz VTNMKSNDMVSGBC-NRFANRHFSA-N 1 1 393.531 2.731 40 0 GFABMO CCc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257305313 212019172 /nfs/dbraw/zinc/01/91/72/212019172.db2.gz SPJQCXFNCAWFGK-WOIUINJBSA-N 1 1 395.507 2.717 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@]1(O)CCCN(C(=O)Cc2cccc(O)c2)CC1 ZINC000257250707 212011471 /nfs/dbraw/zinc/01/14/71/212011471.db2.gz JNRUDQBCAHELSL-QHCPKHFHSA-N 1 1 397.519 2.595 40 0 GFABMO C[C@]12C[C@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])occ(CN3CCOCC3)c1=O)C2 ZINC000101342481 211398377 /nfs/dbraw/zinc/39/83/77/211398377.db2.gz PVTHFWUNDRMVNH-KKSFZXQISA-N 1 1 376.497 2.578 40 0 GFABMO COCCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4ccc(Cl)cc4)C[C@@H]32)N=C1C ZINC000096261517 211326693 /nfs/dbraw/zinc/32/66/93/211326693.db2.gz XKJCQHILIYXTLW-IMFGXOCKSA-N 1 1 375.900 2.828 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CCc2cc(C(=O)N3CCCC3)c(N(C)C)nc2CC1 ZINC000096260382 211326478 /nfs/dbraw/zinc/32/64/78/211326478.db2.gz KVHLNCCMVKPXBA-UHFFFAOYSA-N 1 1 397.523 2.589 40 0 GFABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260506 211326341 /nfs/dbraw/zinc/32/63/41/211326341.db2.gz WRFFSPBIPRQCBS-UHFFFAOYSA-N 1 1 381.524 2.847 40 0 GFABMO O=S(=O)(c1ccccc1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215408 211320074 /nfs/dbraw/zinc/32/00/74/211320074.db2.gz ZMERTIOPMNLXGM-HXUWFJFHSA-N 1 1 378.538 2.590 40 0 GFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccoc1)C2 ZINC000096036253 211294385 /nfs/dbraw/zinc/29/43/85/211294385.db2.gz MJMKBXOTMMTJBP-JOCHJYFZSA-N 1 1 396.491 2.868 40 0 GFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccoc1)C2 ZINC000096036253 211294391 /nfs/dbraw/zinc/29/43/91/211294391.db2.gz MJMKBXOTMMTJBP-JOCHJYFZSA-N 1 1 396.491 2.868 40 0 GFABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2CC1 ZINC000072372758 211102113 /nfs/dbraw/zinc/10/21/13/211102113.db2.gz ITHFIJCTHTYFBD-QGZVFWFLSA-N 1 1 385.487 2.546 40 0 GFABMO COCCOc1cc(C[N@@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)ccc1OC ZINC000072343315 211094605 /nfs/dbraw/zinc/09/46/05/211094605.db2.gz LHTSPDYUIIYRMI-WIYYLYMNSA-N 1 1 382.460 2.955 40 0 GFABMO COCCOc1cc(C[N@H+]2C[C@H]3ON=C(c4ccccc4)[C@@H]3C2)ccc1OC ZINC000072343315 211094609 /nfs/dbraw/zinc/09/46/09/211094609.db2.gz LHTSPDYUIIYRMI-WIYYLYMNSA-N 1 1 382.460 2.955 40 0 GFABMO COc1ccccc1[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3cnc(N(C)C)nc3)C[C@H]21 ZINC000072340987 211092671 /nfs/dbraw/zinc/09/26/71/211092671.db2.gz YYVYQVXDOZCAFN-JUXOCIIHSA-N 1 1 382.508 2.671 40 0 GFABMO Cc1cc(CCCC(=O)N2CCn3c(nnc3[C@@H]3CCC[N@H+](C)C3)C2)ccc1F ZINC000019711124 210286784 /nfs/dbraw/zinc/28/67/84/210286784.db2.gz OVPKBGKVRXYYFF-GOSISDBHSA-N 1 1 399.514 2.900 40 0 GFABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)c(C)n1 ZINC000019715571 210286626 /nfs/dbraw/zinc/28/66/26/210286626.db2.gz DPVLNWSXKSHELL-MRXNPFEDSA-N 1 1 380.496 2.916 40 0 GFABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)c(C)n1 ZINC000019715571 210286633 /nfs/dbraw/zinc/28/66/33/210286633.db2.gz DPVLNWSXKSHELL-MRXNPFEDSA-N 1 1 380.496 2.916 40 0 GFABMO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc(OC)c1 ZINC000019595146 210276137 /nfs/dbraw/zinc/27/61/37/210276137.db2.gz XLNCKDPXAFISKF-PCCBWWKXSA-N 1 1 382.504 2.566 40 0 GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)n1 ZINC000019572897 210268652 /nfs/dbraw/zinc/26/86/52/210268652.db2.gz IWZCHNXLAKDKNH-FXAWDEMLSA-N 1 1 396.539 2.983 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 ZINC000019590510 210272170 /nfs/dbraw/zinc/27/21/70/210272170.db2.gz BMMVTEYVDHJAMA-FQEVSTJZSA-N 1 1 390.491 2.568 40 0 GFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4nccnc4c2)C3)C1 ZINC000012183652 221162753 /nfs/dbraw/zinc/16/27/53/221162753.db2.gz NETYXWGYBBZVDO-OAHLLOKOSA-N 1 1 390.491 2.508 40 0 GFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4nccnc4c2)C3)C1 ZINC000012183652 221162756 /nfs/dbraw/zinc/16/27/56/221162756.db2.gz NETYXWGYBBZVDO-OAHLLOKOSA-N 1 1 390.491 2.508 40 0 GFABMO COc1ccc(NC(=O)C[N@@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000585262200 570229745 /nfs/dbraw/zinc/22/97/45/570229745.db2.gz LLNQXWVXOKEGPP-NZQKXSOJSA-N 1 1 393.487 2.772 40 0 GFABMO COc1ccc(NC(=O)C[N@H+]2C[C@@H](c3ccccc3)[C@]3(C2)CCCC(=O)N3)cc1 ZINC000585262200 570229748 /nfs/dbraw/zinc/22/97/48/570229748.db2.gz LLNQXWVXOKEGPP-NZQKXSOJSA-N 1 1 393.487 2.772 40 0 GFABMO OC1(C[N@H+]2CCOC[C@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 ZINC000585282001 570249602 /nfs/dbraw/zinc/24/96/02/570249602.db2.gz FDMAALIPXFJPJQ-FQEVSTJZSA-N 1 1 383.916 2.867 40 0 GFABMO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107249492 570309066 /nfs/dbraw/zinc/30/90/66/570309066.db2.gz DZGUPYCGOPTRNK-YLJYHZDGSA-N 1 1 382.533 2.564 40 0 GFABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107249492 570309068 /nfs/dbraw/zinc/30/90/68/570309068.db2.gz DZGUPYCGOPTRNK-YLJYHZDGSA-N 1 1 382.533 2.564 40 0 GFABMO Cc1cccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1C ZINC000036634025 570566548 /nfs/dbraw/zinc/56/65/48/570566548.db2.gz ACYNFWXYPXATDR-NRFANRHFSA-N 1 1 377.488 2.753 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2cn(C)c(=O)c3ccccc23)CC1 ZINC000036753107 570570160 /nfs/dbraw/zinc/57/01/60/570570160.db2.gz CZNSOHZHLVVJHI-UHFFFAOYSA-N 1 1 378.476 2.986 40 0 GFABMO O=C(NCCCN1CCOCC1)C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000225586225 570591295 /nfs/dbraw/zinc/59/12/95/570591295.db2.gz ZQINZDQKNYTMSI-UHFFFAOYSA-N 1 1 397.922 2.530 40 0 GFABMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225680914 570602279 /nfs/dbraw/zinc/60/22/79/570602279.db2.gz DBIVXHIYUHDBLL-AWEZNQCLSA-N 1 1 397.566 2.533 40 0 GFABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@H+](CC(=O)NCc3ccco3)C2)n1 ZINC000012117210 570611625 /nfs/dbraw/zinc/61/16/25/570611625.db2.gz OVWPCCOQSJLSKL-GOSISDBHSA-N 1 1 391.475 2.936 40 0 GFABMO Cc1ncc(-c2ccncc2)c([C@@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)n1 ZINC000012117210 570611628 /nfs/dbraw/zinc/61/16/28/570611628.db2.gz OVWPCCOQSJLSKL-GOSISDBHSA-N 1 1 391.475 2.936 40 0 GFABMO Cc1sc2nc(C3CC3)n(C3CC[NH+](CC(=O)N(C)C)CC3)c(=O)c2c1C ZINC000012145319 570615985 /nfs/dbraw/zinc/61/59/85/570615985.db2.gz ONUDWOCYBOAHEJ-UHFFFAOYSA-N 1 1 388.537 2.677 40 0 GFABMO COc1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)cc1OC ZINC000012187314 570621432 /nfs/dbraw/zinc/62/14/32/570621432.db2.gz FQCOLFWLARKJGW-GOSISDBHSA-N 1 1 386.496 2.741 40 0 GFABMO COc1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C[C@H]2CCCO2)cc1OC ZINC000012187314 570621433 /nfs/dbraw/zinc/62/14/33/570621433.db2.gz FQCOLFWLARKJGW-GOSISDBHSA-N 1 1 386.496 2.741 40 0 GFABMO COc1ccc(C2(O)CC[NH+](CCNC(=O)c3c(F)cccc3F)CC2)cc1 ZINC000012291071 570632919 /nfs/dbraw/zinc/63/29/19/570632919.db2.gz MGPWWJYQGBHLLW-UHFFFAOYSA-N 1 1 390.430 2.687 40 0 GFABMO Cc1ccc(C[N@@H+]2Cc3cccn3C[C@@H](CCOCC(=O)N(C)C)C2)s1 ZINC000585095291 570921788 /nfs/dbraw/zinc/92/17/88/570921788.db2.gz NQIVVCOLRYPOPE-KRWDZBQOSA-N 1 1 375.538 2.985 40 0 GFABMO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585101709 570926699 /nfs/dbraw/zinc/92/66/99/570926699.db2.gz AOKZISPLNXBFRT-MAUKXSAKSA-N 1 1 383.414 2.960 40 0 GFABMO COC(=O)C1[C@H](c2ccccc2)C(C(=O)N2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000019893302 570931551 /nfs/dbraw/zinc/93/15/51/570931551.db2.gz HZUPVYCEFDDLAF-FDRBHKFBSA-N 1 1 392.499 2.747 40 0 GFABMO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000585104368 570932991 /nfs/dbraw/zinc/93/29/91/570932991.db2.gz LFKLBIONHOBFNX-JOCHJYFZSA-N 1 1 383.492 2.851 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)cc1 ZINC000585106012 570935460 /nfs/dbraw/zinc/93/54/60/570935460.db2.gz DEYRWSNKQBYVOE-UXHICEINSA-N 1 1 383.536 2.694 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106290 570936450 /nfs/dbraw/zinc/93/64/50/570936450.db2.gz ONZIJHTWSALWFT-JQHSSLGASA-N 1 1 387.524 2.738 40 0 GFABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)c3ccccn3)CC2)n(C)n1 ZINC000019562505 210262776 /nfs/dbraw/zinc/26/27/76/210262776.db2.gz HTXHMEQBTPMUEJ-UHFFFAOYSA-N 1 1 396.520 2.641 40 0 GFABMO COc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1 ZINC000019554835 210262108 /nfs/dbraw/zinc/26/21/08/210262108.db2.gz GCKGNDQGALRPMH-NRFANRHFSA-N 1 1 398.507 2.503 40 0 GFABMO COc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@@H]2CCCO2)cc1 ZINC000019554835 210262114 /nfs/dbraw/zinc/26/21/14/210262114.db2.gz GCKGNDQGALRPMH-NRFANRHFSA-N 1 1 398.507 2.503 40 0 GFABMO CCc1[nH+]ccn1CC1(O)CCN(C(=O)c2cc3cc(OC)ccc3n2C)CC1 ZINC000019523617 210256640 /nfs/dbraw/zinc/25/66/40/210256640.db2.gz VQIRLVSJVPDCQN-UHFFFAOYSA-N 1 1 396.491 2.613 40 0 GFABMO CCCC[N@@H+](C)CC(=O)Nc1ccc([C@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000019502223 210254098 /nfs/dbraw/zinc/25/40/98/210254098.db2.gz GJEIKUYNKBYDET-IBGZPJMESA-N 1 1 381.480 2.630 40 0 GFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2cccs2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450089 210248030 /nfs/dbraw/zinc/24/80/30/210248030.db2.gz YVRXGSSMTDFHEA-ROUUACIJSA-N 1 1 399.564 2.879 40 0 GFABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334014 210241924 /nfs/dbraw/zinc/24/19/24/210241924.db2.gz WPIDWYXHDVDHCT-INIZCTEOSA-N 1 1 387.455 2.790 40 0 GFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019014466 210222552 /nfs/dbraw/zinc/22/25/52/210222552.db2.gz SWAILVFTAAUJJV-WMZOPIPTSA-N 1 1 396.535 2.600 40 0 GFABMO O=C(C1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019014524 210221887 /nfs/dbraw/zinc/22/18/87/210221887.db2.gz NOFBMCPUYPLBQD-INIZCTEOSA-N 1 1 384.524 2.989 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)cs1 ZINC000306133604 212051320 /nfs/dbraw/zinc/05/13/20/212051320.db2.gz MQPYFGJHYIKPHX-RBUKOAKNSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccncc4)C[C@H]32)cs1 ZINC000306133604 212051324 /nfs/dbraw/zinc/05/13/24/212051324.db2.gz MQPYFGJHYIKPHX-RBUKOAKNSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132735 212049222 /nfs/dbraw/zinc/04/92/22/212049222.db2.gz LQORPFSXRMOYIO-GJZGRUSLSA-N 1 1 394.504 2.600 40 0 GFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129921 212047500 /nfs/dbraw/zinc/04/75/00/212047500.db2.gz IQQLTRAKSMRJIT-RXVVDRJESA-N 1 1 386.496 2.522 40 0 GFABMO Cn1cc(C[N@H+]2CC[C@@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cn1 ZINC000306128766 212046252 /nfs/dbraw/zinc/04/62/52/212046252.db2.gz HJYNDDQNTHWOHR-FQEVSTJZSA-N 1 1 379.489 2.681 40 0 GFABMO Cc1nc2cc(C)c(C)cc2n1CC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257276453 212015699 /nfs/dbraw/zinc/01/56/99/212015699.db2.gz NTUVYOZNFYSHQK-SFGWALBWSA-N 1 1 395.507 2.737 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](C)CO)nc(C(C)C)[nH+]1)CC2 ZINC000329067988 209158721 /nfs/dbraw/zinc/15/87/21/209158721.db2.gz YLOOALLAINEKQP-AWEZNQCLSA-N 1 1 386.496 2.973 40 0 GFABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@]12CCCO2 ZINC000257215288 212004932 /nfs/dbraw/zinc/00/49/32/212004932.db2.gz CPMCCBSXOJXFFU-NVXWUHKLSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@]12CCCO2 ZINC000257215288 212004936 /nfs/dbraw/zinc/00/49/36/212004936.db2.gz CPMCCBSXOJXFFU-NVXWUHKLSA-N 1 1 383.286 2.658 40 0 GFABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@@H]1CCCO1 ZINC000100687623 211389475 /nfs/dbraw/zinc/38/94/75/211389475.db2.gz UKOJRRYWYCQYHE-SCTDSRPQSA-N 1 1 376.545 2.783 40 0 GFABMO CC(C)CNc1nc2c(cc1C(=O)N(C)C)CC[N@@H+](Cc1cccnc1)CC2 ZINC000096260507 211326996 /nfs/dbraw/zinc/32/69/96/211326996.db2.gz NOOIVBOVBCXYGK-UHFFFAOYSA-N 1 1 381.524 2.847 40 0 GFABMO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@@H+](CCc1ccccc1)CC2 ZINC000096260368 211326912 /nfs/dbraw/zinc/32/69/12/211326912.db2.gz RZOXDMQXXSJDID-UHFFFAOYSA-N 1 1 392.547 2.931 40 0 GFABMO C[N@H+]1CC[C@@]2(C(=O)Nc3cccnc3)CCN(C(=O)Cc3ccccc3)CC[C@@H]12 ZINC000096145288 211307597 /nfs/dbraw/zinc/30/75/97/211307597.db2.gz JYUCJJKZTOHRCB-NFBKMPQASA-N 1 1 392.503 2.576 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1)N1CCOCC1 ZINC000072348718 211095744 /nfs/dbraw/zinc/09/57/44/211095744.db2.gz JUUVNQJIKAWEMO-GOSISDBHSA-N 1 1 383.467 2.926 40 0 GFABMO CC(C)c1ncc(C[NH+]2CCC(n3nnc4c3nc(C3CC3)[nH]c4=O)CC2)cn1 ZINC000072337263 211093373 /nfs/dbraw/zinc/09/33/73/211093373.db2.gz KQNTZLHUEDCALU-UHFFFAOYSA-N 1 1 394.483 2.555 40 0 GFABMO Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nnc3n1CC[N@H+](C)CC3)CCCC2 ZINC000019710764 210286401 /nfs/dbraw/zinc/28/64/01/210286401.db2.gz HRFMKBRSFKZAMW-MRXNPFEDSA-N 1 1 383.496 2.524 40 0 GFABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@@H]1c1nnc2n1CC[N@H+](C)CC2 ZINC000019710766 210285778 /nfs/dbraw/zinc/28/57/78/210285778.db2.gz NCFQARNXVBHHSG-QGZVFWFLSA-N 1 1 396.470 2.672 40 0 GFABMO COCCc1ncc(C[N@@H+]2CCC[C@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cn1 ZINC000019752582 210293062 /nfs/dbraw/zinc/29/30/62/210293062.db2.gz PTYCEYQBBHCFIT-SFHVURJKSA-N 1 1 396.539 2.526 40 0 GFABMO COCCc1ncc(C[N@H+]2CCC[C@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cn1 ZINC000019752582 210293067 /nfs/dbraw/zinc/29/30/67/210293067.db2.gz PTYCEYQBBHCFIT-SFHVURJKSA-N 1 1 396.539 2.526 40 0 GFABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)COc2ccccc2)[nH+]1 ZINC000019698142 210280831 /nfs/dbraw/zinc/28/08/31/210280831.db2.gz KFXGIKBBWFMJAO-JOCHJYFZSA-N 1 1 394.519 2.884 40 0 GFABMO Cc1onc(C(=O)N2CCN(c3nc4ccccc4s3)CC2)c1C[NH+](C)C ZINC000019663474 210279859 /nfs/dbraw/zinc/27/98/59/210279859.db2.gz RBQGXRVXWLDWGQ-UHFFFAOYSA-N 1 1 385.493 2.617 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 ZINC000019590585 210273858 /nfs/dbraw/zinc/27/38/58/210273858.db2.gz KYIFJTRQWKKSOH-QGZVFWFLSA-N 1 1 392.912 2.644 40 0 GFABMO CC1CCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4nccnc4c2)CC3)CC1 ZINC000012183092 221162634 /nfs/dbraw/zinc/16/26/34/221162634.db2.gz LWLQUFNGNSPDTE-UHFFFAOYSA-N 1 1 390.491 2.508 40 0 GFABMO COC[C@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218124774 553053190 /nfs/dbraw/zinc/05/31/90/553053190.db2.gz PKVFIFUSPJJAJM-SQNIBIBYSA-N 1 1 381.881 2.632 40 0 GFABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(OC)cc1 ZINC000242614868 553087724 /nfs/dbraw/zinc/08/77/24/553087724.db2.gz PKVFIFUSPJJAJM-KURKYZTESA-N 1 1 381.881 2.632 40 0 GFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nnc(-c4ccc(N(C)C)cc4)o3)C2)CC1 ZINC000049170263 560084514 /nfs/dbraw/zinc/08/45/14/560084514.db2.gz IVSNRUJOSDTLNO-KRWDZBQOSA-N 1 1 383.496 2.603 40 0 biogenic,in-vitro GFABMO O=C(CSCc1ccc(Br)cc1)NCCC[NH+]1CCOCC1 ZINC000408574002 563560016 /nfs/dbraw/zinc/56/00/16/563560016.db2.gz GVZOSHPABGVYMJ-UHFFFAOYSA-N 1 1 387.343 2.521 40 0 GFABMO Cc1ccc(OC[C@@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)C2)cc1C ZINC000585273416 570241369 /nfs/dbraw/zinc/24/13/69/570241369.db2.gz UQSOCBWYNMHDJP-XMMPIXPASA-N 1 1 396.531 2.868 40 0 GFABMO Cc1ccc(OC[C@@]2(O)CCC[N@@H+](CC(=O)NCCc3ccccc3)C2)cc1C ZINC000585273416 570241372 /nfs/dbraw/zinc/24/13/72/570241372.db2.gz UQSOCBWYNMHDJP-XMMPIXPASA-N 1 1 396.531 2.868 40 0 GFABMO CN1CCN(CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1 ZINC000022926495 570336075 /nfs/dbraw/zinc/33/60/75/570336075.db2.gz MDQRYZVMQQUSMX-TYABSZSSSA-N 1 1 389.559 2.914 40 0 GFABMO CN1CCN(CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccc(F)cc2)C3)CC1 ZINC000022926495 570336078 /nfs/dbraw/zinc/33/60/78/570336078.db2.gz MDQRYZVMQQUSMX-TYABSZSSSA-N 1 1 389.559 2.914 40 0 GFABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccccc1)C2)Nc1ccc2c(c1)OCO2 ZINC000035315655 570469579 /nfs/dbraw/zinc/46/95/79/570469579.db2.gz PMSVJCFHGSMZLK-VSOVRNOCSA-N 1 1 380.444 2.868 40 0 GFABMO O=C(C[NH+]1CCCCC1)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 ZINC000000920677 570536500 /nfs/dbraw/zinc/53/65/00/570536500.db2.gz GCYJDRKDJWDSQY-UHFFFAOYSA-N 1 1 379.526 2.722 40 0 GFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)Nc1cccc(OC)c1 ZINC000036550907 570561107 /nfs/dbraw/zinc/56/11/07/570561107.db2.gz AALVAOSULXSDMX-GQWLDOHISA-N 1 1 395.503 2.879 40 0 GFABMO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000047227924 570653752 /nfs/dbraw/zinc/65/37/52/570653752.db2.gz SZKQNMCQZZYXAQ-FNORWQNLSA-N 1 1 380.444 2.577 40 0 GFABMO CSc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)cc1NC(C)=O ZINC000260808249 570708186 /nfs/dbraw/zinc/70/81/86/570708186.db2.gz HPGYEOOSRPVAEM-AWEZNQCLSA-N 1 1 399.582 2.767 40 0 GFABMO CC[N@H+]1CCC[C@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 ZINC000019527168 210256659 /nfs/dbraw/zinc/25/66/59/210256659.db2.gz KXVMXQXPWOBIJM-NRFANRHFSA-N 1 1 380.540 2.958 40 0 GFABMO CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019521322 210255330 /nfs/dbraw/zinc/25/53/30/210255330.db2.gz JKIPURJEPMHZFL-CQSZACIVSA-N 1 1 383.496 2.597 40 0 GFABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000019496195 210253420 /nfs/dbraw/zinc/25/34/20/210253420.db2.gz OZOZBCWDVAWQBC-OXQOHEQNSA-N 1 1 389.515 2.948 40 0 GFABMO CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019498846 210253429 /nfs/dbraw/zinc/25/34/29/210253429.db2.gz GYCPOGQNYFSDJS-SFHVURJKSA-N 1 1 381.480 2.599 40 0 GFABMO CCC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019498846 210253435 /nfs/dbraw/zinc/25/34/35/210253435.db2.gz GYCPOGQNYFSDJS-SFHVURJKSA-N 1 1 381.480 2.599 40 0 GFABMO C[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)c1cc(=O)[nH]c(N2CCC(C)CC2)n1 ZINC000019497027 210252936 /nfs/dbraw/zinc/25/29/36/210252936.db2.gz GZYOBMMZHZPESJ-OAHLLOKOSA-N 1 1 384.480 2.628 40 0 GFABMO COc1cc2c(cc1O)CC[N@@H+](Cc1cn(CC(N)=O)c3ccccc13)[C@@H]2C ZINC000019498327 210252761 /nfs/dbraw/zinc/25/27/61/210252761.db2.gz AECPPGWFNDDDJC-CQSZACIVSA-N 1 1 379.460 2.960 40 0 GFABMO C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)c2C1 ZINC000019497123 210252385 /nfs/dbraw/zinc/25/23/85/210252385.db2.gz IDEOWRDIRPUADZ-CXAGYDPISA-N 1 1 381.480 2.555 40 0 GFABMO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@H+](Cc3cnc(C(C)C)nc3)C1)CC2 ZINC000019454020 210251409 /nfs/dbraw/zinc/25/14/09/210251409.db2.gz JPECOEIDWKJVOE-QFIPXVFZSA-N 1 1 380.492 2.929 40 0 GFABMO COc1ccc2c(c1)C(=O)N[C@]1(CC[N@@H+](Cc3cnc(C(C)C)nc3)C1)CC2 ZINC000019454020 210251414 /nfs/dbraw/zinc/25/14/14/210251414.db2.gz JPECOEIDWKJVOE-QFIPXVFZSA-N 1 1 380.492 2.929 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448257 210248664 /nfs/dbraw/zinc/24/86/64/210248664.db2.gz BTSBVYBFTTXSNE-IBGZPJMESA-N 1 1 398.482 2.582 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccccc3F)[nH]c(=O)c2C1 ZINC000019448297 210248005 /nfs/dbraw/zinc/24/80/05/210248005.db2.gz HPFMJTIDJJHBJI-SFHVURJKSA-N 1 1 384.455 2.653 40 0 GFABMO O=C(Cn1c(-c2cccs2)cc2cccnc21)NCCC[NH+]1CCOCC1 ZINC000019347102 210245004 /nfs/dbraw/zinc/24/50/04/210245004.db2.gz PLWZUBKHASTYDC-UHFFFAOYSA-N 1 1 384.505 2.603 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)ncc2C1 ZINC000019083642 210225555 /nfs/dbraw/zinc/22/55/55/210225555.db2.gz NFOUQJZMVXMVOW-QGZVFWFLSA-N 1 1 382.512 2.853 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019021585 210223663 /nfs/dbraw/zinc/22/36/63/210223663.db2.gz SACJJKJDZRKCDU-MRXNPFEDSA-N 1 1 398.898 2.605 40 0 GFABMO COc1ccccc1C[N@H+]1CC[C@@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000019021849 210223534 /nfs/dbraw/zinc/22/35/34/210223534.db2.gz UTDKEJCSVPMTBZ-GOSISDBHSA-N 1 1 393.491 2.566 40 0 GFABMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018618 210222345 /nfs/dbraw/zinc/22/23/45/210222345.db2.gz XOXQPYMPOQVPLJ-OAQYLSRUSA-N 1 1 396.491 2.606 40 0 GFABMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018618 210222347 /nfs/dbraw/zinc/22/23/47/210222347.db2.gz XOXQPYMPOQVPLJ-OAQYLSRUSA-N 1 1 396.491 2.606 40 0 GFABMO CN(C)C(=O)NC[C@@H]1N(Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2 ZINC000306145143 212056806 /nfs/dbraw/zinc/05/68/06/212056806.db2.gz ZZIUAFUJSSIKKK-IBGZPJMESA-N 1 1 376.520 2.773 40 0 GFABMO Cc1cncc(C(=O)N2CC3(C2)C[C@@H](COCc2ccccn2)CC[N@@H+]3C)c1 ZINC000306145169 212056520 /nfs/dbraw/zinc/05/65/20/212056520.db2.gz ZZWJSZILGREJOJ-SFHVURJKSA-N 1 1 380.492 2.538 40 0 GFABMO Cc1csc(CN2CC3(C2)C[C@@H](COc2ncccc2F)CC[N@@H+]3C)n1 ZINC000306141744 212055179 /nfs/dbraw/zinc/05/51/79/212055179.db2.gz WFBLZHPTQUHFIT-HNNXBMFYSA-N 1 1 376.501 2.961 40 0 GFABMO C[N@@H+]1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cccs1)C2 ZINC000306129355 212047704 /nfs/dbraw/zinc/04/77/04/212047704.db2.gz IBEGOQMYEXRRER-AWEZNQCLSA-N 1 1 375.469 2.898 40 0 GFABMO C[N@H+]1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1cccs1)C2 ZINC000306129355 212047707 /nfs/dbraw/zinc/04/77/07/212047707.db2.gz IBEGOQMYEXRRER-AWEZNQCLSA-N 1 1 375.469 2.898 40 0 GFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3ncccc3C)n2)CC1 ZINC000257342802 212027530 /nfs/dbraw/zinc/02/75/30/212027530.db2.gz ZQFXSCDOUCXRFD-KRWDZBQOSA-N 1 1 397.523 2.859 40 0 GFABMO CCN(CC)C(=O)C[N@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257295784 212020027 /nfs/dbraw/zinc/02/00/27/212020027.db2.gz QZVURGQJDQCLAE-AWEZNQCLSA-N 1 1 388.537 2.656 40 0 GFABMO CCN(CC)C(=O)C[N@@H+]1CC[C@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257295784 212020023 /nfs/dbraw/zinc/02/00/23/212020023.db2.gz QZVURGQJDQCLAE-AWEZNQCLSA-N 1 1 388.537 2.656 40 0 GFABMO Cc1nc2cc(CCC(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4C)[C@@H]3O)ccc2[nH]1 ZINC000257262108 212012797 /nfs/dbraw/zinc/01/27/97/212012797.db2.gz LKBQPNDGAFTAPH-YFVAEKQCSA-N 1 1 381.480 2.580 40 0 GFABMO Cc1nc2ccc(CCC(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4C)[C@@H]3O)cc2[nH]1 ZINC000257262108 212012799 /nfs/dbraw/zinc/01/27/99/212012799.db2.gz LKBQPNDGAFTAPH-YFVAEKQCSA-N 1 1 381.480 2.580 40 0 GFABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](C)CO)nc(C(C)C)[nH+]1)C2 ZINC000328999387 209155614 /nfs/dbraw/zinc/15/56/14/209155614.db2.gz JWYGHGPUZZURLN-CQSZACIVSA-N 1 1 384.480 2.742 40 0 GFABMO CCC(=O)N1CCC2(C[C@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242253 211323350 /nfs/dbraw/zinc/32/33/50/211323350.db2.gz XIYKEWAZNCGFIT-SFHVURJKSA-N 1 1 383.536 2.608 40 0 GFABMO Cc1cc(C[N@H+]2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C ZINC000096225927 211320921 /nfs/dbraw/zinc/32/09/21/211320921.db2.gz OQQQHNHHYDXDQQ-OAQYLSRUSA-N 1 1 382.464 2.671 40 0 GFABMO Cc1cc(C[N@@H+]2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C ZINC000096225927 211320928 /nfs/dbraw/zinc/32/09/28/211320928.db2.gz OQQQHNHHYDXDQQ-OAQYLSRUSA-N 1 1 382.464 2.671 40 0 GFABMO CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000072373893 211102521 /nfs/dbraw/zinc/10/25/21/211102521.db2.gz HMCNBVORJWSWHF-LJQANCHMSA-N 1 1 376.464 2.526 40 0 GFABMO CC(=O)N1CCn2c(nnc2[C@H]2CCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000072373893 211102526 /nfs/dbraw/zinc/10/25/26/211102526.db2.gz HMCNBVORJWSWHF-LJQANCHMSA-N 1 1 376.464 2.526 40 0 GFABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)n2)nc1 ZINC000072377586 211104869 /nfs/dbraw/zinc/10/48/69/211104869.db2.gz VEYHOLCNOZHCMZ-QGZVFWFLSA-N 1 1 380.496 2.725 40 0 GFABMO Cc1ccc(Nc2nccc([C@@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)nc1 ZINC000072377586 211104866 /nfs/dbraw/zinc/10/48/66/211104866.db2.gz VEYHOLCNOZHCMZ-QGZVFWFLSA-N 1 1 380.496 2.725 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1)NCc1ccccn1 ZINC000019715559 210285537 /nfs/dbraw/zinc/28/55/37/210285537.db2.gz IIBHVGHBMRYYEV-HNNXBMFYSA-N 1 1 381.455 2.668 40 0 GFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711431 210285574 /nfs/dbraw/zinc/28/55/74/210285574.db2.gz DXSLDOQVVUHPDG-INIZCTEOSA-N 1 1 397.498 2.594 40 0 GFABMO Cn1nc([C@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)cc1C[NH+](C)C ZINC000019709006 210283532 /nfs/dbraw/zinc/28/35/32/210283532.db2.gz SBVAIMYSHQWQAG-AWEZNQCLSA-N 1 1 396.944 2.703 40 0 GFABMO C[N@H+]1CC[C@@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 ZINC000019587902 210273697 /nfs/dbraw/zinc/27/36/97/210273697.db2.gz BMAKGQJUFCIKLX-QGZVFWFLSA-N 1 1 395.482 2.739 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4F)C3)ncc2C1 ZINC000019590395 210273273 /nfs/dbraw/zinc/27/32/73/210273273.db2.gz BXWUTIHUGQVDAL-KRWDZBQOSA-N 1 1 382.483 2.942 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000012184802 221163996 /nfs/dbraw/zinc/16/39/96/221163996.db2.gz XULRIXPFBMBTDH-UHFFFAOYSA-N 1 1 395.507 2.523 40 0 GFABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4CCC(C)CC4)[nH]c3=O)C2)cc1 ZINC000012184802 221163998 /nfs/dbraw/zinc/16/39/98/221163998.db2.gz XULRIXPFBMBTDH-UHFFFAOYSA-N 1 1 395.507 2.523 40 0 GFABMO CCc1cccc2c(C[N@@H+]3CCc4c(=O)[nH]c(N5CCOCC5)nc4C3)c[nH]c21 ZINC000072335523 136168361 /nfs/dbraw/zinc/16/83/61/136168361.db2.gz OEVQPMLIPWQZCR-UHFFFAOYSA-N 1 1 393.491 2.621 40 0 GFABMO CCc1cccc2c(C[N@H+]3CCc4c(=O)[nH]c(N5CCOCC5)nc4C3)c[nH]c21 ZINC000072335523 136168362 /nfs/dbraw/zinc/16/83/62/136168362.db2.gz OEVQPMLIPWQZCR-UHFFFAOYSA-N 1 1 393.491 2.621 40 0 GFABMO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc3nccnc3c1)C2 ZINC000072347327 136168910 /nfs/dbraw/zinc/16/89/10/136168910.db2.gz SUKQBJSLNICNLE-HNNXBMFYSA-N 1 1 390.491 2.650 40 0 GFABMO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC000072347327 136168911 /nfs/dbraw/zinc/16/89/11/136168911.db2.gz SUKQBJSLNICNLE-HNNXBMFYSA-N 1 1 390.491 2.650 40 0 GFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408708285 529076955 /nfs/dbraw/zinc/07/69/55/529076955.db2.gz XGKBSPAIRGXWMN-HXUWFJFHSA-N 1 1 379.504 2.535 40 0 GFABMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169724 560084123 /nfs/dbraw/zinc/08/41/23/560084123.db2.gz NNPQTQRVOKVSIX-INIZCTEOSA-N 1 1 384.461 2.525 40 0 biogenic,in-vitro GFABMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 ZINC000049169724 560084124 /nfs/dbraw/zinc/08/41/24/560084124.db2.gz NNPQTQRVOKVSIX-INIZCTEOSA-N 1 1 384.461 2.525 40 0 biogenic,in-vitro GFABMO Cc1ccc(OC[C@]2(O)CCC[N@H+](CC(=O)NCCc3ccccc3)C2)cc1C ZINC000585273412 570241537 /nfs/dbraw/zinc/24/15/37/570241537.db2.gz UQSOCBWYNMHDJP-DEOSSOPVSA-N 1 1 396.531 2.868 40 0 GFABMO Cc1ccc(OC[C@]2(O)CCC[N@@H+](CC(=O)NCCc3ccccc3)C2)cc1C ZINC000585273412 570241539 /nfs/dbraw/zinc/24/15/39/570241539.db2.gz UQSOCBWYNMHDJP-DEOSSOPVSA-N 1 1 396.531 2.868 40 0 GFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 ZINC000072227679 570318772 /nfs/dbraw/zinc/31/87/72/570318772.db2.gz JVUFMAVHLVFNIB-HOTGVXAUSA-N 1 1 375.222 2.636 40 0 GFABMO Cc1[nH+]ccn1Cc1ccc(C(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)cc1 ZINC000038856627 570588487 /nfs/dbraw/zinc/58/84/87/570588487.db2.gz HIBODMOBFSYKNQ-UHFFFAOYSA-N 1 1 398.488 2.888 40 0 GFABMO COc1c2c(cc3c1[C@@H](C[C@H](O)[C@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000004061875 570614312 /nfs/dbraw/zinc/61/43/12/570614312.db2.gz TWOLFEWIKVSGFO-XHSDSOJGSA-N 1 1 377.481 2.909 40 0 GFABMO COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000004061871 570614321 /nfs/dbraw/zinc/61/43/21/570614321.db2.gz TWOLFEWIKVSGFO-BZUAXINKSA-N 1 1 377.481 2.909 40 0 GFABMO CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2CC(=O)NCc1cccs1 ZINC000004908163 570647896 /nfs/dbraw/zinc/64/78/96/570647896.db2.gz OJSOFFOTPZWNIC-MQVJKMGUSA-N 1 1 377.554 2.912 40 0 GFABMO CC(C)(C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2CC(=O)NCc1cccs1 ZINC000004908163 570647899 /nfs/dbraw/zinc/64/78/99/570647899.db2.gz OJSOFFOTPZWNIC-MQVJKMGUSA-N 1 1 377.554 2.912 40 0 GFABMO COc1ccc(/C=C/C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1OC ZINC000047227425 570653595 /nfs/dbraw/zinc/65/35/95/570653595.db2.gz IWRAZWBIRZNHAA-VQHVLOKHSA-N 1 1 396.487 2.866 40 0 GFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000119910455 570924787 /nfs/dbraw/zinc/92/47/87/570924787.db2.gz OBOKAMDNZPWDRN-LLVKDONJSA-N 1 1 377.794 2.898 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585101847 570927367 /nfs/dbraw/zinc/92/73/67/570927367.db2.gz IYPDKBVVGRKCPX-LJQANCHMSA-N 1 1 387.509 2.901 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CC[C@@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585101847 570927371 /nfs/dbraw/zinc/92/73/71/570927371.db2.gz IYPDKBVVGRKCPX-LJQANCHMSA-N 1 1 387.509 2.901 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585101846 570927499 /nfs/dbraw/zinc/92/74/99/570927499.db2.gz IYPDKBVVGRKCPX-IBGZPJMESA-N 1 1 387.509 2.901 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CC[C@]12CCCN(C(=O)c1nnsc1C1CC1)C2 ZINC000585101846 570927502 /nfs/dbraw/zinc/92/75/02/570927502.db2.gz IYPDKBVVGRKCPX-IBGZPJMESA-N 1 1 387.509 2.901 40 0 GFABMO Cc1cc(=O)oc2cc(NC(=O)[C@H]([NH3+])CC(=O)OCc3ccccc3)ccc12 ZINC000224518135 570932895 /nfs/dbraw/zinc/93/28/95/570932895.db2.gz PWZVZTVBRXAIHO-QGZVFWFLSA-N 1 1 380.400 2.501 40 0 GFABMO CCc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019522896 210257082 /nfs/dbraw/zinc/25/70/82/210257082.db2.gz LMJBWPRPEXUWOP-IYBDPMFKSA-N 1 1 382.508 2.917 40 0 GFABMO CCc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000019522896 210257084 /nfs/dbraw/zinc/25/70/84/210257084.db2.gz LMJBWPRPEXUWOP-IYBDPMFKSA-N 1 1 382.508 2.917 40 0 GFABMO COCCOc1cccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)c1 ZINC000019291399 210237611 /nfs/dbraw/zinc/23/76/11/210237611.db2.gz XIOMBTFKOXGGNQ-QIDMFYOTSA-N 1 1 385.508 2.565 40 0 GFABMO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)NCC[N@H+]1C(C)C ZINC000019237762 210234906 /nfs/dbraw/zinc/23/49/06/210234906.db2.gz OKXNZUUNMLNIJS-NRFANRHFSA-N 1 1 394.519 2.518 40 0 GFABMO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000019237762 210234911 /nfs/dbraw/zinc/23/49/11/210234911.db2.gz OKXNZUUNMLNIJS-NRFANRHFSA-N 1 1 394.519 2.518 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306144180 212054480 /nfs/dbraw/zinc/05/44/80/212054480.db2.gz YYCRLPCVRVYQQC-RDJZCZTQSA-N 1 1 398.532 2.597 40 0 GFABMO C[N@@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cc(C3CC3)on1)C2 ZINC000306128740 212046969 /nfs/dbraw/zinc/04/69/69/212046969.db2.gz HJHHLILKSBRDBB-INIZCTEOSA-N 1 1 396.491 2.700 40 0 GFABMO C[N@H+]1CC[C@H](COCc2cccnc2)CC12CN(C(=O)c1cc(C3CC3)on1)C2 ZINC000306128740 212046976 /nfs/dbraw/zinc/04/69/76/212046976.db2.gz HJHHLILKSBRDBB-INIZCTEOSA-N 1 1 396.491 2.700 40 0 GFABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 ZINC000306127483 212046693 /nfs/dbraw/zinc/04/66/93/212046693.db2.gz FZJOCWJMLGQDAJ-ZWKOTPCHSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccn1 ZINC000306127483 212046695 /nfs/dbraw/zinc/04/66/95/212046695.db2.gz FZJOCWJMLGQDAJ-ZWKOTPCHSA-N 1 1 379.489 2.730 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306131052 212048270 /nfs/dbraw/zinc/04/82/70/212048270.db2.gz JVIAUTCSXBNKOV-IRXDYDNUSA-N 1 1 391.450 2.974 40 0 GFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccco3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129919 212046301 /nfs/dbraw/zinc/04/63/01/212046301.db2.gz IQQLTRAKSMRJIT-GHTZIAJQSA-N 1 1 386.496 2.522 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306126743 212045456 /nfs/dbraw/zinc/04/54/56/212045456.db2.gz FDULWWGQZVCOBF-HUUCEWRRSA-N 1 1 381.411 2.567 40 0 GFABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccc(F)cc1)C[C@H]2c1cccnc1 ZINC000306125901 212044442 /nfs/dbraw/zinc/04/44/42/212044442.db2.gz DFDLGRGLDMYOGS-JTHBVZDNSA-N 1 1 395.478 2.828 40 0 GFABMO NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1 ZINC000257266492 212014349 /nfs/dbraw/zinc/01/43/49/212014349.db2.gz MDFUFAFYDMGPLM-QHCPKHFHSA-N 1 1 392.547 2.849 40 0 GFABMO O=S(=O)(c1cccc(F)c1)N1CC[C@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215462 211320470 /nfs/dbraw/zinc/32/04/70/211320470.db2.gz HTVXCKSYSNUKKZ-HXUWFJFHSA-N 1 1 396.528 2.729 40 0 GFABMO O=C(C[N@@H+]1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1)N1CCCCC1 ZINC000072383550 211107771 /nfs/dbraw/zinc/10/77/71/211107771.db2.gz NQLYKFNYABEQLE-KRWDZBQOSA-N 1 1 381.480 2.856 40 0 GFABMO O=C(C[N@H+]1CCC[C@H](c2cncc(Oc3cccnc3)n2)C1)N1CCCCC1 ZINC000072383550 211107775 /nfs/dbraw/zinc/10/77/75/211107775.db2.gz NQLYKFNYABEQLE-KRWDZBQOSA-N 1 1 381.480 2.856 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@H]2c2cncc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378375 211106304 /nfs/dbraw/zinc/10/63/04/211106304.db2.gz RVUBLNKIIMCPNY-IBGZPJMESA-N 1 1 377.448 2.886 40 0 GFABMO COc1cc(C)c(C[N@@H+]2CCC[C@H]2c2nnc3n2CCN(C(C)=O)C3)c(C)c1C ZINC000072373889 211103833 /nfs/dbraw/zinc/10/38/33/211103833.db2.gz AUHRNZACDJDWSP-IBGZPJMESA-N 1 1 397.523 2.911 40 0 GFABMO COc1cc(C)c(C[N@H+]2CCC[C@H]2c2nnc3n2CCN(C(C)=O)C3)c(C)c1C ZINC000072373889 211103835 /nfs/dbraw/zinc/10/38/35/211103835.db2.gz AUHRNZACDJDWSP-IBGZPJMESA-N 1 1 397.523 2.911 40 0 GFABMO Cc1cc(-c2cnc(NCCC[NH+]3CCOCC3)nc2-c2ccncc2)on1 ZINC000072342336 211094109 /nfs/dbraw/zinc/09/41/09/211094109.db2.gz MERQYGPFVYMKJX-UHFFFAOYSA-N 1 1 380.452 2.636 40 0 GFABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@@H+]3CC(=O)N3CCOCC3)n2)cc1 ZINC000072357631 211098920 /nfs/dbraw/zinc/09/89/20/211098920.db2.gz GWJQUVGJAWSSAX-QFIPXVFZSA-N 1 1 379.504 2.977 40 0 GFABMO Cc1ccc(Cc2cccc([C@@H]3CCC[N@H+]3CC(=O)N3CCOCC3)n2)cc1 ZINC000072357631 211098924 /nfs/dbraw/zinc/09/89/24/211098924.db2.gz GWJQUVGJAWSSAX-QFIPXVFZSA-N 1 1 379.504 2.977 40 0 GFABMO COc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1F ZINC000020039444 210312695 /nfs/dbraw/zinc/31/26/95/210312695.db2.gz UYAKLHLEHMBTMI-UHFFFAOYSA-N 1 1 375.425 2.807 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cccc(NS(C)(=O)=O)c1C ZINC000020035374 210312575 /nfs/dbraw/zinc/31/25/75/210312575.db2.gz LTJLVSVQDLLGEQ-UHFFFAOYSA-N 1 1 398.488 2.791 40 0 GFABMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc2ncn(C)c2c1)OCCO3 ZINC000019718222 210289447 /nfs/dbraw/zinc/28/94/47/210289447.db2.gz XTHOHNANCCWSMF-UHFFFAOYSA-N 1 1 377.404 2.641 40 0 GFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3ccnn3C)c2)cn1 ZINC000019691032 210280862 /nfs/dbraw/zinc/28/08/62/210280862.db2.gz BIZGHDUPVJAZMR-OAQYLSRUSA-N 1 1 390.491 2.882 40 0 GFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@@H+]3Cc3ccnn3C)c2)cn1 ZINC000019691032 210280857 /nfs/dbraw/zinc/28/08/57/210280857.db2.gz BIZGHDUPVJAZMR-OAQYLSRUSA-N 1 1 390.491 2.882 40 0 GFABMO COCCOc1ccc(C[N@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019593686 210274556 /nfs/dbraw/zinc/27/45/56/210274556.db2.gz GHCCHZQMFCYIJW-INIZCTEOSA-N 1 1 381.436 2.541 40 0 GFABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)no1 ZINC000019593565 210274337 /nfs/dbraw/zinc/27/43/37/210274337.db2.gz QFZAPTSLCGOJTQ-QGZVFWFLSA-N 1 1 394.475 2.979 40 0 GFABMO C[N@H+]1C[C@@H](c2cccc(F)c2)[C@H]2[C@H]1CCCCCN2S(=O)(=O)N1CCCC1 ZINC000019590819 210273641 /nfs/dbraw/zinc/27/36/41/210273641.db2.gz LGXNHDRJSBMBHW-ZCNNSNEGSA-N 1 1 395.544 2.809 40 0 GFABMO CN(C)c1cccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590450 210273664 /nfs/dbraw/zinc/27/36/64/210273664.db2.gz IUFCKKJUPDKURF-QGZVFWFLSA-N 1 1 379.508 2.550 40 0 GFABMO COc1ccc(CCC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019590391 210271766 /nfs/dbraw/zinc/27/17/66/210271766.db2.gz QYZLCXYERKQKQV-SFHVURJKSA-N 1 1 394.519 2.812 40 0 GFABMO COc1cccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1OC ZINC000012121983 221155047 /nfs/dbraw/zinc/15/50/47/221155047.db2.gz ZECRMOYQBWKHAZ-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1cccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1OC ZINC000012121983 221155050 /nfs/dbraw/zinc/15/50/50/221155050.db2.gz ZECRMOYQBWKHAZ-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)ccc1Cl ZINC000223515708 553057181 /nfs/dbraw/zinc/05/71/81/553057181.db2.gz WLYPHIDFJXNICR-CYBMUJFWSA-N 1 1 388.917 2.527 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289939 560031070 /nfs/dbraw/zinc/03/10/70/560031070.db2.gz PBZMUKILPABGMT-JAXLGGSGSA-N 1 1 383.492 2.884 40 0 biogenic,in-vitro GFABMO Cc1noc(C)c1C[N@H+]1CC[C@@](C)(O)[C@@H](NC(=O)C2CC2)[C@@H]1c1ccccc1 ZINC000514289939 560031072 /nfs/dbraw/zinc/03/10/72/560031072.db2.gz PBZMUKILPABGMT-JAXLGGSGSA-N 1 1 383.492 2.884 40 0 biogenic,in-vitro GFABMO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000253504325 560038398 /nfs/dbraw/zinc/03/83/98/560038398.db2.gz FNIFBBNFYMIPEZ-RXCHFPMDSA-N 1 1 395.499 2.895 40 0 biogenic,in-vitro GFABMO CC(=O)N[C@]12CN(C(=O)c3ccccc3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000585261219 570228065 /nfs/dbraw/zinc/22/80/65/570228065.db2.gz JJCIKTBEFFVUQZ-MQSCRBSSSA-N 1 1 377.488 2.710 40 0 GFABMO CCc1ccc(N2C[C@@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000021449724 570296029 /nfs/dbraw/zinc/29/60/29/570296029.db2.gz UZQJJQFOIDRZBP-NRFANRHFSA-N 1 1 391.515 2.946 40 0 GFABMO C[N@H+](Cc1ccc(OCCn2cccn2)cc1)C[C@@H](O)COc1ccccc1 ZINC000257266367 570488105 /nfs/dbraw/zinc/48/81/05/570488105.db2.gz MCRJGJOFKFEQBW-HXUWFJFHSA-N 1 1 381.476 2.834 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](n2nc(-c3cccs3)ccc2=O)C1 ZINC000012087362 570606311 /nfs/dbraw/zinc/60/63/11/570606311.db2.gz KOQSCBQTYJGASY-INIZCTEOSA-N 1 1 397.504 2.731 40 0 GFABMO O=C([C@H]1CC(=O)N(c2ccc(F)cc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000040428064 570758401 /nfs/dbraw/zinc/75/84/01/570758401.db2.gz BTCFYBGAGRFWHK-SFHVURJKSA-N 1 1 381.451 2.523 40 0 GFABMO COc1ccc(C[N@@H+](CCCN2CCOCC2)Cc2cccnc2)cc1OC ZINC000013569036 570850622 /nfs/dbraw/zinc/85/06/22/570850622.db2.gz ILGKFUGMIGEPLU-UHFFFAOYSA-N 1 1 385.508 2.823 40 0 GFABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000585099141 570925331 /nfs/dbraw/zinc/92/53/31/570925331.db2.gz PNRUPKNFSZDZDE-INIZCTEOSA-N 1 1 377.435 2.551 40 0 GFABMO COCCNC(=O)C[C@@H]1Cn2cccc2C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000585099141 570925333 /nfs/dbraw/zinc/92/53/33/570925333.db2.gz PNRUPKNFSZDZDE-INIZCTEOSA-N 1 1 377.435 2.551 40 0 GFABMO CC(C)C[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446844 570925929 /nfs/dbraw/zinc/92/59/29/570925929.db2.gz AHWULOJENQKRJC-LEWJYISDSA-N 1 1 398.555 2.757 40 0 GFABMO C[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccccc2Cl)CC1 ZINC000020142351 570941921 /nfs/dbraw/zinc/94/19/21/570941921.db2.gz LGYPWORODCTCEQ-FQEVSTJZSA-N 1 1 396.926 2.906 40 0 GFABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)CC(C)C)CC2)n(C)n1 ZINC000019562453 210263203 /nfs/dbraw/zinc/26/32/03/210263203.db2.gz WWBMPMXLCOTUAU-UHFFFAOYSA-N 1 1 375.542 2.979 40 0 GFABMO Cc1nn(C[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019556786 210262091 /nfs/dbraw/zinc/26/20/91/210262091.db2.gz OQLDYGGEGQEGRY-VBKZILBWSA-N 1 1 396.539 2.586 40 0 GFABMO CCOc1ccccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019520064 210254877 /nfs/dbraw/zinc/25/48/77/210254877.db2.gz TURYVTCRAZREMB-INIZCTEOSA-N 1 1 380.492 2.883 40 0 GFABMO C[C@@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CC[N@H+](C)C5)CC3)ccc2O1 ZINC000019497909 210253350 /nfs/dbraw/zinc/25/33/50/210253350.db2.gz JLHNUKNEMNNPFG-OAHLLOKOSA-N 1 1 392.503 2.808 40 0 GFABMO CC(C)NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019450083 210247460 /nfs/dbraw/zinc/24/74/60/210247460.db2.gz WTFVINFSPJBBGZ-PMACEKPBSA-N 1 1 393.535 2.817 40 0 GFABMO Cc1ncc2c(n1)[C@@]1(CCC[N@H+](Cc3cnc(N4CCCCC4)nc3)C1)OCC2 ZINC000019287410 210238245 /nfs/dbraw/zinc/23/82/45/210238245.db2.gz ZDNUZKSVBRWNCL-QFIPXVFZSA-N 1 1 394.523 2.629 40 0 GFABMO Cc1ncc2c(n1)[C@@]1(CCC[N@@H+](Cc3cnc(N4CCCCC4)nc3)C1)OCC2 ZINC000019287410 210238247 /nfs/dbraw/zinc/23/82/47/210238247.db2.gz ZDNUZKSVBRWNCL-QFIPXVFZSA-N 1 1 394.523 2.629 40 0 GFABMO Cn1ccnc1[C@H](O)c1cccc(F)c1N1CC[NH+](Cc2ccccc2)CC1 ZINC000019291279 210237320 /nfs/dbraw/zinc/23/73/20/210237320.db2.gz KNYMDYWDBFXOIA-OAQYLSRUSA-N 1 1 380.467 2.963 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3cccc(C)c3)C2)c2cccnc21 ZINC000019234944 210232520 /nfs/dbraw/zinc/23/25/20/210232520.db2.gz CRVQSFQOOCHHTA-LJQANCHMSA-N 1 1 377.492 2.865 40 0 GFABMO C[N@H+]1CCC[C@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 ZINC000019083676 210226030 /nfs/dbraw/zinc/22/60/30/210226030.db2.gz UYBKOFMWQBWWOH-AWEZNQCLSA-N 1 1 382.512 2.505 40 0 GFABMO COc1cccc(C[N@H+]2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000019021829 210224306 /nfs/dbraw/zinc/22/43/06/210224306.db2.gz VCNLBHMBZRSNEZ-SFHVURJKSA-N 1 1 393.491 2.566 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019079337 210223895 /nfs/dbraw/zinc/22/38/95/210223895.db2.gz PCLAPBBDRZLSPW-MAUKXSAKSA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C)ncc2C1 ZINC000019079337 210223901 /nfs/dbraw/zinc/22/39/01/210223901.db2.gz PCLAPBBDRZLSPW-MAUKXSAKSA-N 1 1 396.491 2.604 40 0 GFABMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019078503 210223722 /nfs/dbraw/zinc/22/37/22/210223722.db2.gz RPDOHJNRDBCLNW-HOTGVXAUSA-N 1 1 398.482 2.777 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019021558 210223488 /nfs/dbraw/zinc/22/34/88/210223488.db2.gz JJHPPRAVOBMXRJ-MRXNPFEDSA-N 1 1 398.898 2.605 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019018391 210222626 /nfs/dbraw/zinc/22/26/26/210222626.db2.gz XWELYQNWRHVFTA-GOSISDBHSA-N 1 1 380.492 2.769 40 0 GFABMO CN(C)C(=O)NC[C@H]1N(Cc2cccc(F)c2)CCCC12CC[NH+](C)CC2 ZINC000306145144 212056236 /nfs/dbraw/zinc/05/62/36/212056236.db2.gz ZZIUAFUJSSIKKK-LJQANCHMSA-N 1 1 376.520 2.773 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306142034 212054835 /nfs/dbraw/zinc/05/48/35/212054835.db2.gz WNKDGLRNSUPCJZ-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306140322 212053445 /nfs/dbraw/zinc/05/34/45/212053445.db2.gz UPRKFLVGQDOYPL-LSDHHAIUSA-N 1 1 385.899 2.518 40 0 GFABMO Cc1ncsc1C[N@H+]1CCC[C@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140701 212053938 /nfs/dbraw/zinc/05/39/38/212053938.db2.gz VBGXMNKLVHDGRR-INIZCTEOSA-N 1 1 398.536 2.710 40 0 GFABMO Cc1ccc(C[N@H+]2CC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131298 212048915 /nfs/dbraw/zinc/04/89/15/212048915.db2.gz KAPKLKYGNPXTRN-INIZCTEOSA-N 1 1 383.521 2.925 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306126737 212044195 /nfs/dbraw/zinc/04/41/95/212044195.db2.gz FDTMVAHGIMXNTE-HOTGVXAUSA-N 1 1 379.489 2.896 40 0 GFABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306125898 212044922 /nfs/dbraw/zinc/04/49/22/212044922.db2.gz DFDLGRGLDMYOGS-FYYLOGMGSA-N 1 1 395.478 2.828 40 0 GFABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)c1cccnc1N ZINC000257280083 212016159 /nfs/dbraw/zinc/01/61/59/212016159.db2.gz OJJHOEJVNKAEOP-WKILWMFISA-N 1 1 384.528 2.505 40 0 GFABMO Cc1nc(N[C@@H](C)CO)cc(N2CCc3cc(Br)ccc3C2)[nH+]1 ZINC000329031191 209157361 /nfs/dbraw/zinc/15/73/61/209157361.db2.gz QHISMVKXFPLMND-NSHDSACASA-N 1 1 377.286 2.903 40 0 GFABMO Cc1ccc(N2C[C@]3(COCC[N@H+](Cc4cccs4)C3)OCC2=O)s1 ZINC000096051452 211297017 /nfs/dbraw/zinc/29/70/17/211297017.db2.gz OCIWWOKEVYFQTR-GOSISDBHSA-N 1 1 378.519 2.752 40 0 GFABMO Cc1ccc(N2C[C@]3(COCC[N@@H+](Cc4cccs4)C3)OCC2=O)s1 ZINC000096051452 211297021 /nfs/dbraw/zinc/29/70/21/211297021.db2.gz OCIWWOKEVYFQTR-GOSISDBHSA-N 1 1 378.519 2.752 40 0 GFABMO Cc1nc(-c2noc3ccc(C(=O)NCCC[NH+]4CCOCC4)cc32)cs1 ZINC000096037867 211296795 /nfs/dbraw/zinc/29/67/95/211296795.db2.gz UGDYEHKVXOQOJX-UHFFFAOYSA-N 1 1 386.477 2.712 40 0 GFABMO CNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2c1CC[N@H+](C)C2 ZINC000072372212 211103765 /nfs/dbraw/zinc/10/37/65/211103765.db2.gz DIZOZCUXPHVCFG-UHFFFAOYSA-N 1 1 397.498 2.594 40 0 GFABMO CNc1nc(C2CCN(C(=O)Cc3ccc(F)cc3)CC2)nc2c1CC[N@@H+](C)C2 ZINC000072372212 211103770 /nfs/dbraw/zinc/10/37/70/211103770.db2.gz DIZOZCUXPHVCFG-UHFFFAOYSA-N 1 1 397.498 2.594 40 0 GFABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000072345964 211095619 /nfs/dbraw/zinc/09/56/19/211095619.db2.gz REKAIGNFKCWGGJ-SFHVURJKSA-N 1 1 388.475 2.599 40 0 GFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072362919 211100810 /nfs/dbraw/zinc/10/08/10/211100810.db2.gz QRXWMPRMCPOPBK-MRXNPFEDSA-N 1 1 384.480 2.599 40 0 GFABMO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1 ZINC000072348733 211095893 /nfs/dbraw/zinc/09/58/93/211095893.db2.gz SFAQEQJMMPWKTN-IBGZPJMESA-N 1 1 397.494 2.850 40 0 GFABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1)N1CCOCC1 ZINC000072348733 211095898 /nfs/dbraw/zinc/09/58/98/211095898.db2.gz SFAQEQJMMPWKTN-IBGZPJMESA-N 1 1 397.494 2.850 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N(C)S(C)(=O)=O)cc2)cc1 ZINC000020454668 210335848 /nfs/dbraw/zinc/33/58/48/210335848.db2.gz WRJMFPAIVUVIRX-UHFFFAOYSA-N 1 1 398.488 2.507 40 0 GFABMO CCn1c2ccc(-c3cncn3[C@H](C)C[NH+]3CCOCC3)cc2n(CC)c1=O ZINC000019719641 210288258 /nfs/dbraw/zinc/28/82/58/210288258.db2.gz BELQRQVEGHQADC-MRXNPFEDSA-N 1 1 383.496 2.600 40 0 GFABMO CN(C)c1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)cc1 ZINC000019709115 210284365 /nfs/dbraw/zinc/28/43/65/210284365.db2.gz XMWLEGUJYINDHZ-OAQYLSRUSA-N 1 1 383.540 2.844 40 0 GFABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2CC1 ZINC000019706361 210283133 /nfs/dbraw/zinc/28/31/33/210283133.db2.gz ZEGKJKXUOMDKBW-LJQANCHMSA-N 1 1 392.507 2.544 40 0 GFABMO COc1ccc(CCCC(=O)N2CCC(O)(Cn3cc[nH+]c3C)CC2)c(C)c1 ZINC000019570545 210268591 /nfs/dbraw/zinc/26/85/91/210268591.db2.gz RJGVNACDTLLGEE-UHFFFAOYSA-N 1 1 385.508 2.885 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590355 210273406 /nfs/dbraw/zinc/27/34/06/210273406.db2.gz IULLCCVHGAHVRB-GOSISDBHSA-N 1 1 390.484 2.520 40 0 GFABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4nccnc24)C3)CC1 ZINC000072347357 136168936 /nfs/dbraw/zinc/16/89/36/136168936.db2.gz ZQRSCIIZATWQBX-UHFFFAOYSA-N 1 1 390.491 2.508 40 0 GFABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4nccnc24)C3)CC1 ZINC000072347357 136168937 /nfs/dbraw/zinc/16/89/37/136168937.db2.gz ZQRSCIIZATWQBX-UHFFFAOYSA-N 1 1 390.491 2.508 40 0 GFABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000096050144 136183320 /nfs/dbraw/zinc/18/33/20/136183320.db2.gz BZIGGYLHNBMFLW-JOCHJYFZSA-N 1 1 381.451 2.666 40 0 GFABMO COc1ccc(CN2C(=O)CO[C@H]3C[N@H+](Cc4c[nH]c5ccccc45)C[C@H]32)cc1 ZINC000067897218 560050016 /nfs/dbraw/zinc/05/00/16/560050016.db2.gz NFKHAJOVXWEZKU-YADHBBJMSA-N 1 1 391.471 2.788 40 0 biogenic,in-vitro GFABMO COCC[N@H+]1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019766356 570217742 /nfs/dbraw/zinc/21/77/42/570217742.db2.gz ZLHHXOZHHCXDQS-QGZVFWFLSA-N 1 1 386.471 2.680 40 0 GFABMO CC[N@@H+]1CCC[C@@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914964 570334747 /nfs/dbraw/zinc/33/47/47/570334747.db2.gz KNLRYTVGFIYFAK-QGZVFWFLSA-N 1 1 383.471 2.735 40 0 GFABMO CC[N@H+]1CCC[C@@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914964 570334750 /nfs/dbraw/zinc/33/47/50/570334750.db2.gz KNLRYTVGFIYFAK-QGZVFWFLSA-N 1 1 383.471 2.735 40 0 GFABMO COC(=O)c1cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)ccc1C ZINC000223858355 570487643 /nfs/dbraw/zinc/48/76/43/570487643.db2.gz AARVOMVAJUYPHE-UHFFFAOYSA-N 1 1 399.472 2.754 40 0 GFABMO CO[C@H](C[NH+]1CCN(C[C@@H](O)[C@@H](OC)c2ccccc2)CC1)c1ccccc1 ZINC000030691529 570493930 /nfs/dbraw/zinc/49/39/30/570493930.db2.gz VSTNNAYSCJQCQI-ZLNRFVROSA-N 1 1 384.520 2.740 40 0 in-man GFABMO O=C(NC[C@@H]1COc2ccccc2O1)[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000225278371 570560978 /nfs/dbraw/zinc/56/09/78/570560978.db2.gz ZVLSTRCBPUVZAW-IEBWSBKVSA-N 1 1 384.451 2.994 40 0 GFABMO COc1ccc(OC)c([C@H](O)C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000036734382 570567986 /nfs/dbraw/zinc/56/79/86/570567986.db2.gz ZHQHRAXXBPQXFL-FXAWDEMLSA-N 1 1 390.524 2.852 40 0 GFABMO CCCNC(=O)C[NH+]1CCC(n2c(C)nc3sc(C)c(C)c3c2=O)CC1 ZINC000012145420 570616321 /nfs/dbraw/zinc/61/63/21/570616321.db2.gz HSRWYAGXNGMABS-UHFFFAOYSA-N 1 1 376.526 2.546 40 0 GFABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@@H]1CCCO1 ZINC000257311666 570907320 /nfs/dbraw/zinc/90/73/20/570907320.db2.gz UKOJRRYWYCQYHE-LNLFQRSKSA-N 1 1 376.545 2.783 40 0 GFABMO CN1c2ccccc2[C@]2(N=C(N(c3ccccc3)c3ccccc3)NC(=[NH2+])N2)C1=O ZINC000017081010 570918911 /nfs/dbraw/zinc/91/89/11/570918911.db2.gz PZDWJYKZVVGZAX-QHCPKHFHSA-N 1 1 396.454 2.928 40 0 GFABMO O=C(Nc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102256 570929947 /nfs/dbraw/zinc/92/99/47/570929947.db2.gz VNFNPYTTZNSPTE-REWPJTCUSA-N 1 1 397.519 2.895 40 0 GFABMO CCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000585106123 570935847 /nfs/dbraw/zinc/93/58/47/570935847.db2.gz OFYLAQGFLLTCPA-CABCVRRESA-N 1 1 393.890 2.542 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@H]32)c1 ZINC000585107954 570939855 /nfs/dbraw/zinc/93/98/55/570939855.db2.gz LXUYZONAOVRDRA-AZUAARDMSA-N 1 1 386.517 2.899 40 0 GFABMO COc1cccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@H]32)c1 ZINC000585107954 570939858 /nfs/dbraw/zinc/93/98/58/570939858.db2.gz LXUYZONAOVRDRA-AZUAARDMSA-N 1 1 386.517 2.899 40 0 GFABMO COc1cccc(C[N@@H+]2CCN(C(=O)Cc3cc(OC)ccc3OC)[C@@H](C)C2)c1 ZINC000019575582 210267242 /nfs/dbraw/zinc/26/72/42/210267242.db2.gz WKGQARBKBBGOTA-KRWDZBQOSA-N 1 1 398.503 2.988 40 0 GFABMO COc1cccc(C[N@H+]2CCN(C(=O)Cc3cc(OC)ccc3OC)[C@@H](C)C2)c1 ZINC000019575582 210267248 /nfs/dbraw/zinc/26/72/48/210267248.db2.gz WKGQARBKBBGOTA-KRWDZBQOSA-N 1 1 398.503 2.988 40 0 GFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000019500329 210254352 /nfs/dbraw/zinc/25/43/52/210254352.db2.gz XKDIQYPPIWPVTJ-KRWDZBQOSA-N 1 1 390.528 2.634 40 0 GFABMO CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@@H]4C[C@@H]4C)CC3)n2)C1 ZINC000019462922 210253564 /nfs/dbraw/zinc/25/35/64/210253564.db2.gz RLQMQYYSZBJAFA-CGTJXYLNSA-N 1 1 386.540 2.720 40 0 GFABMO C[C@@H]1Cc2cc([C@@H](O)C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498023 210252332 /nfs/dbraw/zinc/25/23/32/210252332.db2.gz LRUZEEAIBABYPH-UZLBHIALSA-N 1 1 396.487 2.590 40 0 GFABMO C[N@H+]1CCC[C@@H](c2ncc3c(n2)CCN(C(=O)c2cc(C(C)(C)C)n[nH]2)C3)C1 ZINC000019083673 210225220 /nfs/dbraw/zinc/22/52/20/210225220.db2.gz UYBKOFMWQBWWOH-CQSZACIVSA-N 1 1 382.512 2.505 40 0 GFABMO COc1ccccc1C[N@H+]1CC[C@H](c2nn(CCNC(C)=O)c3ncccc23)C1 ZINC000019021852 210224226 /nfs/dbraw/zinc/22/42/26/210224226.db2.gz UTDKEJCSVPMTBZ-SFHVURJKSA-N 1 1 393.491 2.566 40 0 GFABMO O=C(NC1CC1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(CSc2ccccc2)nn1 ZINC000008299303 291122962 /nfs/dbraw/zinc/12/29/62/291122962.db2.gz SWJHBZOUQXDTLB-ZTNFWEORSA-N 1 1 397.548 2.559 40 0 biogenic,in-vitro GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306140048 212052691 /nfs/dbraw/zinc/05/26/91/212052691.db2.gz UIFQRKLAPBZBPY-WMLDXEAASA-N 1 1 398.532 2.597 40 0 GFABMO CN1CCN(C(=O)c2ccncc2)C[C@H]1c1[nH+]cn2cc(-c3cccnc3)ccc12 ZINC000306134397 212050443 /nfs/dbraw/zinc/05/04/43/212050443.db2.gz NLWFYZRMKGQQKX-NRFANRHFSA-N 1 1 398.470 2.920 40 0 GFABMO CCn1c(C)nc2cc(C(=O)N(C)[C@@H]3CC[C@@H](n4cc[nH+]c4C)[C@@H]3O)ccc21 ZINC000257220086 212004710 /nfs/dbraw/zinc/00/47/10/212004710.db2.gz DJLRHRIIEMWOAC-VAMGGRTRSA-N 1 1 381.480 2.706 40 0 GFABMO CC(C)N1c2sc(-c3ccsc3)nc2C[C@H]1C(=O)N1CC[NH+](C)CC1 ZINC000096264473 211327018 /nfs/dbraw/zinc/32/70/18/211327018.db2.gz YPUHLZAECKZLCH-HNNXBMFYSA-N 1 1 376.551 2.785 40 0 GFABMO Cc1cc(C[N@H+]2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C ZINC000096225926 211321848 /nfs/dbraw/zinc/32/18/48/211321848.db2.gz OQQQHNHHYDXDQQ-NRFANRHFSA-N 1 1 382.464 2.671 40 0 GFABMO Cc1cc(C[N@@H+]2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)oc1C ZINC000096225926 211321850 /nfs/dbraw/zinc/32/18/50/211321850.db2.gz OQQQHNHHYDXDQQ-NRFANRHFSA-N 1 1 382.464 2.671 40 0 GFABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@@H+]3CC(=O)N3CCOCC3)n2)cc1 ZINC000072357632 211097980 /nfs/dbraw/zinc/09/79/80/211097980.db2.gz GWJQUVGJAWSSAX-JOCHJYFZSA-N 1 1 379.504 2.977 40 0 GFABMO Cc1ccc(Cc2cccc([C@H]3CCC[N@H+]3CC(=O)N3CCOCC3)n2)cc1 ZINC000072357632 211097983 /nfs/dbraw/zinc/09/79/83/211097983.db2.gz GWJQUVGJAWSSAX-JOCHJYFZSA-N 1 1 379.504 2.977 40 0 GFABMO COc1ccc(CCC(=O)N2CCC(c3cc(C[NH+](C)C)n(C)n3)CC2)cc1 ZINC000019710231 210286165 /nfs/dbraw/zinc/28/61/65/210286165.db2.gz SHDDSVSBQUUVOU-UHFFFAOYSA-N 1 1 384.524 2.829 40 0 GFABMO Cn1cc(C[N@H+]2CCC[C@@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 ZINC000019749739 210293896 /nfs/dbraw/zinc/29/38/96/210293896.db2.gz DCPVTOKUGRYXMO-QGZVFWFLSA-N 1 1 381.455 2.892 40 0 GFABMO COCCNC(=O)c1cc([C@@H]2CCC[N@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019593528 210275729 /nfs/dbraw/zinc/27/57/29/210275729.db2.gz SYHXLFMSMQNHJQ-CQSZACIVSA-N 1 1 379.407 2.709 40 0 GFABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)no1 ZINC000019593528 210275732 /nfs/dbraw/zinc/27/57/32/210275732.db2.gz SYHXLFMSMQNHJQ-CQSZACIVSA-N 1 1 379.407 2.709 40 0 GFABMO COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc(OC)c1O ZINC000012122119 221154237 /nfs/dbraw/zinc/15/42/37/221154237.db2.gz WLWQCACMJDOEOZ-UHFFFAOYSA-N 1 1 394.431 2.525 40 0 GFABMO COc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc(OC)c1O ZINC000012122119 221154241 /nfs/dbraw/zinc/15/42/41/221154241.db2.gz WLWQCACMJDOEOZ-UHFFFAOYSA-N 1 1 394.431 2.525 40 0 GFABMO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccc3nccnc13)C2 ZINC000072347324 136168794 /nfs/dbraw/zinc/16/87/94/136168794.db2.gz CMWSWFRUPGBMQA-OAHLLOKOSA-N 1 1 390.491 2.650 40 0 GFABMO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccc3nccnc13)C2 ZINC000072347324 136168795 /nfs/dbraw/zinc/16/87/95/136168795.db2.gz CMWSWFRUPGBMQA-OAHLLOKOSA-N 1 1 390.491 2.650 40 0 GFABMO C[C@H](CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394677 136169228 /nfs/dbraw/zinc/16/92/28/136169228.db2.gz IRUCFYGRANCSFQ-MJGOQNOKSA-N 1 1 382.508 2.590 40 0 GFABMO COC(=O)c1cc(S(=O)(=O)NCCC[N@H+]2CCC[C@H](C)C2)ccc1Cl ZINC000260746357 553152887 /nfs/dbraw/zinc/15/28/87/553152887.db2.gz WLYPHIDFJXNICR-ZDUSSCGKSA-N 1 1 388.917 2.527 40 0 GFABMO O=C(C[C@@H]1CC[NH2+]C[C@@H]1Cc1cc(CN2CCCCC2)on1)N1CCCCC1 ZINC000015673818 560230759 /nfs/dbraw/zinc/23/07/59/560230759.db2.gz IRZHOLWDQPETRL-OALUTQOASA-N 1 1 388.556 2.831 40 0 biogenic,in-vitro GFABMO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@@H](O)COc1ccccc1 ZINC000585262552 570230924 /nfs/dbraw/zinc/23/09/24/570230924.db2.gz RRRFYJGXOQJPCX-HXUWFJFHSA-N 1 1 398.503 2.560 40 0 GFABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585284411 570253534 /nfs/dbraw/zinc/25/35/34/570253534.db2.gz RQCUQBLFFUQQPP-PMACEKPBSA-N 1 1 389.515 2.632 40 0 GFABMO Cc1cc(C)c(C)c(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCCC3)CC[C@@H]2O)c1 ZINC000585287580 570258976 /nfs/dbraw/zinc/25/89/76/570258976.db2.gz OUVKZKOHBGPPAO-GMAHTHKFSA-N 1 1 391.552 2.874 40 0 GFABMO COc1ccc(O[C@@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000108643812 570313357 /nfs/dbraw/zinc/31/33/57/570313357.db2.gz WZJUOPPDAKKLPS-KRWDZBQOSA-N 1 1 384.476 2.611 40 0 GFABMO CCN(CC)CC[NH2+]Cc1ccc(-c2cc(C(=O)OC)cc(C(=O)OC)c2)o1 ZINC000022108619 570325903 /nfs/dbraw/zinc/32/59/03/570325903.db2.gz TUBPMCANSXAIRA-UHFFFAOYSA-N 1 1 388.464 2.951 40 0 GFABMO CCOc1ccccc1N1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000036634034 570566551 /nfs/dbraw/zinc/56/65/51/570566551.db2.gz JREGZNGXKAZGEU-FQEVSTJZSA-N 1 1 393.487 2.535 40 0 GFABMO O=C(C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc(Br)cc1 ZINC000071405287 570573762 /nfs/dbraw/zinc/57/37/62/570573762.db2.gz GMRKVUKVSUDJIM-DZGCQCFKSA-N 1 1 387.277 2.913 40 0 GFABMO O=C(C[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1)c1ccc(Br)cc1 ZINC000071405287 570573766 /nfs/dbraw/zinc/57/37/66/570573766.db2.gz GMRKVUKVSUDJIM-DZGCQCFKSA-N 1 1 387.277 2.913 40 0 GFABMO O=C(NC[C@@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000260913112 570713617 /nfs/dbraw/zinc/71/36/17/570713617.db2.gz ZVLSTRCBPUVZAW-PKOBYXMFSA-N 1 1 384.451 2.994 40 0 GFABMO COCC[N@@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000247972167 570718275 /nfs/dbraw/zinc/71/82/75/570718275.db2.gz HSGRKVMRIIHTOE-VGSWGCGISA-N 1 1 385.508 2.757 40 0 GFABMO COC(=O)N1CC[NH+](C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000041690398 570900083 /nfs/dbraw/zinc/90/00/83/570900083.db2.gz VTXJJLTYZGRSCM-NRFANRHFSA-N 1 1 398.503 2.580 40 0 GFABMO CC(C)C[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446848 570925894 /nfs/dbraw/zinc/92/58/94/570925894.db2.gz AHWULOJENQKRJC-NHCUHLMSSA-N 1 1 398.555 2.757 40 0 GFABMO CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501890 570927307 /nfs/dbraw/zinc/92/73/07/570927307.db2.gz CFTKGYMFAFACMO-VQTJNVASSA-N 1 1 384.528 2.511 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104115 570930129 /nfs/dbraw/zinc/93/01/29/570930129.db2.gz LUMSSBWHAVZRPK-PMACEKPBSA-N 1 1 386.536 2.717 40 0 GFABMO C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103107 570931498 /nfs/dbraw/zinc/93/14/98/570931498.db2.gz DAUUMTSXCGXEHK-RTBURBONSA-N 1 1 392.565 2.978 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@@H+](CC4CCCC4)C[C@@H]23)cc1 ZINC000585106099 570935893 /nfs/dbraw/zinc/93/58/93/570935893.db2.gz LOCCGOYQAFBJSQ-RTWAWAEBSA-N 1 1 395.547 2.838 40 0 GFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000585106200 570936473 /nfs/dbraw/zinc/93/64/73/570936473.db2.gz BXINPCAUDGUGAS-MSOLQXFVSA-N 1 1 387.499 2.587 40 0 GFABMO CCOc1ncccc1C(=O)N1CCCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019531462 210260190 /nfs/dbraw/zinc/26/01/90/210260190.db2.gz IQPIUYYYEMZBKE-SFHVURJKSA-N 1 1 381.480 2.626 40 0 GFABMO CCN(CC)S(=O)(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C ZINC000019526471 210255869 /nfs/dbraw/zinc/25/58/69/210255869.db2.gz KNGLFYHIOWZZRJ-ZCNNSNEGSA-N 1 1 379.570 2.915 40 0 GFABMO C[C@@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)c2C1 ZINC000019497121 210252526 /nfs/dbraw/zinc/25/25/26/210252526.db2.gz WTRUZKVVUMXTPP-CABCVRRESA-N 1 1 395.507 2.597 40 0 GFABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019293828 210240348 /nfs/dbraw/zinc/24/03/48/210240348.db2.gz BRBFPDLDFPGFDH-MRXNPFEDSA-N 1 1 387.455 2.790 40 0 GFABMO CSc1nnc([C@H]2CCCN2C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)n1C ZINC000019289265 210237152 /nfs/dbraw/zinc/23/71/52/210237152.db2.gz LOJWZXJXBIXBNQ-HUUCEWRRSA-N 1 1 377.489 2.643 40 0 GFABMO CC(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@@H+](CCCOc2ccccc2C)C3)C1 ZINC000019237408 210235450 /nfs/dbraw/zinc/23/54/50/210235450.db2.gz WROXZKJJPUQVAG-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO CC(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@H+](CCCOc2ccccc2C)C3)C1 ZINC000019237408 210235456 /nfs/dbraw/zinc/23/54/56/210235456.db2.gz WROXZKJJPUQVAG-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CC[N@@H+](CCCOc4ccc(C)cc4)C3)ncc2C1 ZINC000019211022 210231337 /nfs/dbraw/zinc/23/13/37/210231337.db2.gz GMPLNUKTHVXONJ-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO C[C@@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087824 212076662 /nfs/dbraw/zinc/07/66/62/212076662.db2.gz XVWDEHLVPDHPLZ-YVEFUNNKSA-N 1 1 378.270 2.837 40 0 GFABMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087824 212076665 /nfs/dbraw/zinc/07/66/65/212076665.db2.gz XVWDEHLVPDHPLZ-YVEFUNNKSA-N 1 1 378.270 2.837 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)cs1 ZINC000306133602 212051669 /nfs/dbraw/zinc/05/16/69/212051669.db2.gz MQPYFGJHYIKPHX-MOPGFXCFSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)cs1 ZINC000306133602 212051673 /nfs/dbraw/zinc/05/16/73/212051673.db2.gz MQPYFGJHYIKPHX-MOPGFXCFSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1ccc(Nc2nc(NCCC[NH+]3CCOCC3)nc3nccnc32)cc1 ZINC000040227560 212040725 /nfs/dbraw/zinc/04/07/25/212040725.db2.gz NWYGVHCQUZFKDH-UHFFFAOYSA-N 1 1 379.468 2.606 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)Cn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257308031 212022072 /nfs/dbraw/zinc/02/20/72/212022072.db2.gz TVDHAZNUKLNBBF-SFHLNBCPSA-N 1 1 395.507 2.888 40 0 GFABMO O=C(c1cccs1)N1CCC2(CC1)[NH2+]CCn1c(-c3cccnc3)cnc12 ZINC000096263366 211326837 /nfs/dbraw/zinc/32/68/37/211326837.db2.gz QJFKQWGUGNKSCU-UHFFFAOYSA-N 1 1 379.489 2.741 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CCc2cc(C(=O)N(C)C)c(NCC3CC3)nc2CC1 ZINC000096260568 211326230 /nfs/dbraw/zinc/32/62/30/211326230.db2.gz WSSGKVDDMFZCIR-UHFFFAOYSA-N 1 1 397.523 2.811 40 0 GFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240541 211323417 /nfs/dbraw/zinc/32/34/17/211323417.db2.gz WTKUHAUXRWMBPI-FXAWDEMLSA-N 1 1 388.537 2.875 40 0 GFABMO C[N@H+]1CCn2c(nnc2C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)C1 ZINC000072372098 211103469 /nfs/dbraw/zinc/10/34/69/211103469.db2.gz GCQLIXQACJBJER-UHFFFAOYSA-N 1 1 392.507 2.544 40 0 GFABMO COc1ncc([C@]2(O)CC[C@H]3C[N@@H+](Cc4ccccc4Cl)C[C@H]32)c(OC)n1 ZINC000072392586 211109081 /nfs/dbraw/zinc/10/90/81/211109081.db2.gz NMGNZUCDNVQXJW-GQWAEJPESA-N 1 1 389.883 2.877 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)c2cccc3cccnc32)C1 ZINC000072374019 211103848 /nfs/dbraw/zinc/10/38/48/211103848.db2.gz ZJVQGERTHICYFD-QGZVFWFLSA-N 1 1 376.464 2.639 40 0 GFABMO Cc1nc([C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763211 210295348 /nfs/dbraw/zinc/29/53/48/210295348.db2.gz UIHKILQLQVEVHI-SFHVURJKSA-N 1 1 382.512 2.524 40 0 GFABMO CN(CCO)C(=O)c1cc([C@@H]2C[N@@H+](C3CCCC3)CCO2)nc2ccccc21 ZINC000019754425 210293765 /nfs/dbraw/zinc/29/37/65/210293765.db2.gz GRXJJGBGBGLWBA-NRFANRHFSA-N 1 1 383.492 2.615 40 0 GFABMO CN(CCO)C(=O)c1cc([C@@H]2C[N@H+](C3CCCC3)CCO2)nc2ccccc21 ZINC000019754425 210293768 /nfs/dbraw/zinc/29/37/68/210293768.db2.gz GRXJJGBGBGLWBA-NRFANRHFSA-N 1 1 383.492 2.615 40 0 GFABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)[nH+]1 ZINC000019698312 210280923 /nfs/dbraw/zinc/28/09/23/210280923.db2.gz JGGMIRNUOUHQGK-NRFANRHFSA-N 1 1 396.539 2.966 40 0 GFABMO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000019657787 210277062 /nfs/dbraw/zinc/27/70/62/210277062.db2.gz LZFUQKJXQGBODL-ZDUSSCGKSA-N 1 1 392.385 2.881 40 0 GFABMO O=C(C[N@@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657787 210277071 /nfs/dbraw/zinc/27/70/71/210277071.db2.gz LZFUQKJXQGBODL-ZDUSSCGKSA-N 1 1 392.385 2.881 40 0 GFABMO O=C(C[N@H+]1CCC[C@H]1Cn1cccn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657787 210277075 /nfs/dbraw/zinc/27/70/75/210277075.db2.gz LZFUQKJXQGBODL-ZDUSSCGKSA-N 1 1 392.385 2.881 40 0 GFABMO COCCNC(=O)c1cc([C@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019593539 210275659 /nfs/dbraw/zinc/27/56/59/210275659.db2.gz OFODWZCGLXLPJN-SFHVURJKSA-N 1 1 394.475 2.979 40 0 GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)n1 ZINC000019572825 210268926 /nfs/dbraw/zinc/26/89/26/210268926.db2.gz OHJCCJNDANRXCJ-ZWKOTPCHSA-N 1 1 396.539 2.635 40 0 GFABMO COc1ccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019590292 210273785 /nfs/dbraw/zinc/27/37/85/210273785.db2.gz BWEZXMVFJAXVPZ-HXUWFJFHSA-N 1 1 380.492 2.769 40 0 GFABMO COc1ccc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)[nH]c2c1 ZINC000019590548 210273242 /nfs/dbraw/zinc/27/32/42/210273242.db2.gz BQIGQRSISSGSME-HXUWFJFHSA-N 1 1 391.475 2.932 40 0 GFABMO Cc1nc(C[N@H+]2CCC3(C2)CCN(C(=O)c2nnsc2C)CC3)cs1 ZINC000585099788 565104615 /nfs/dbraw/zinc/10/46/15/565104615.db2.gz ZIYPLPWONBZPPB-UHFFFAOYSA-N 1 1 377.539 2.740 40 0 GFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2cccc(OC)c2)cc1 ZINC000585269819 570238913 /nfs/dbraw/zinc/23/89/13/570238913.db2.gz LHLUXNDYZOCXJO-LJQANCHMSA-N 1 1 389.492 2.982 40 0 GFABMO CSc1ccccc1N1C(=O)C[C@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000022772760 570326548 /nfs/dbraw/zinc/32/65/48/570326548.db2.gz SRVIXTSKUWYWAS-IBGZPJMESA-N 1 1 395.528 2.858 40 0 GFABMO Fc1ccccc1CN1CC2(C1)C[N@@H+](Cc1ccccc1)C[C@@H]1COCCN12 ZINC000604381859 570352783 /nfs/dbraw/zinc/35/27/83/570352783.db2.gz RXOQURTUSHGHLQ-OAQYLSRUSA-N 1 1 381.495 2.597 40 0 biogenic,in-vitro GFABMO COc1c2c(cc3c1[C@@H](C[C@H](O)[C@@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000004061874 570614252 /nfs/dbraw/zinc/61/42/52/570614252.db2.gz TWOLFEWIKVSGFO-OAGGEKHMSA-N 1 1 377.481 2.909 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2sc3ncn(C)c(=O)c3c2C)CC1 ZINC000012143815 570615230 /nfs/dbraw/zinc/61/52/30/570615230.db2.gz SGKIZZGDSROZAI-UHFFFAOYSA-N 1 1 399.520 2.751 40 0 GFABMO CCN(CC)C(=O)C[NH+]1CCC(n2c(C)nc3sc(C)c(C)c3c2=O)CC1 ZINC000012145411 570616424 /nfs/dbraw/zinc/61/64/24/570616424.db2.gz RMFAPWSROUGYKC-UHFFFAOYSA-N 1 1 390.553 2.889 40 0 GFABMO COCCc1ncc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2OC)C3)cn1 ZINC000012293162 570633659 /nfs/dbraw/zinc/63/36/59/570633659.db2.gz WYCWIFRBVXJXAA-VSOVRNOCSA-N 1 1 383.492 2.689 40 0 GFABMO CSc1nnc(C2CC[NH+](CC(=O)Nc3ccc4c(c3)CCC4)CC2)n1C ZINC000005001379 570651812 /nfs/dbraw/zinc/65/18/12/570651812.db2.gz GNESDKWPTSCNBR-UHFFFAOYSA-N 1 1 385.537 2.844 40 0 GFABMO COC(=O)[C@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000260828191 570708631 /nfs/dbraw/zinc/70/86/31/570708631.db2.gz MNZJUSUFFPHZGL-GHTZIAJQSA-N 1 1 394.471 2.866 40 0 GFABMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000013566281 570850242 /nfs/dbraw/zinc/85/02/42/570850242.db2.gz CFUBRAONLUWDQV-AUUYWEPGSA-N 1 1 387.480 2.598 40 0 GFABMO CCOC(=O)C1=C(C[N@H+]2CCC[C@@H](C)C2)NC(=O)N[C@@H]1c1ccccc1OC ZINC000013566281 570850248 /nfs/dbraw/zinc/85/02/48/570850248.db2.gz CFUBRAONLUWDQV-AUUYWEPGSA-N 1 1 387.480 2.598 40 0 GFABMO Cn1ccnc1[C@H](O)c1ccccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072340479 570880587 /nfs/dbraw/zinc/88/05/87/570880587.db2.gz RNBOMXDCTBETBV-OAQYLSRUSA-N 1 1 378.476 2.530 40 0 GFABMO C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103104 570931496 /nfs/dbraw/zinc/93/14/96/570931496.db2.gz DAUUMTSXCGXEHK-OALUTQOASA-N 1 1 392.565 2.978 40 0 GFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106244 570936303 /nfs/dbraw/zinc/93/63/03/570936303.db2.gz ZATBMMSMDQQSQN-OLMNPRSZSA-N 1 1 387.524 2.595 40 0 GFABMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)CC1 ZINC000046971205 654688452 /nfs/dbraw/zinc/68/84/52/654688452.db2.gz BIPQFHJTCMDEIY-UHFFFAOYSA-N 1 1 384.307 2.620 40 0 GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)n1 ZINC000019572831 210268020 /nfs/dbraw/zinc/26/80/20/210268020.db2.gz OHJCCJNDANRXCJ-ROUUACIJSA-N 1 1 396.539 2.635 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1C ZINC000019571110 210267643 /nfs/dbraw/zinc/26/76/43/210267643.db2.gz HFJIZPQZQXXZQO-GOSISDBHSA-N 1 1 394.519 2.730 40 0 GFABMO COc1ccc(OC)c(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)c1 ZINC000019551697 210260834 /nfs/dbraw/zinc/26/08/34/210260834.db2.gz NKZMHUVVYBZBMI-PCCBWWKXSA-N 1 1 382.504 2.566 40 0 GFABMO CCOc1ncc(C2(O)CC[NH+](Cc3ccccc3F)CC2)c(OCC)n1 ZINC000019531749 210260238 /nfs/dbraw/zinc/26/02/38/210260238.db2.gz PVSYWBUQXDWHDJ-UHFFFAOYSA-N 1 1 375.444 2.897 40 0 GFABMO Cc1cccc(C[N@H+]2CCCN(C(=O)[C@@H](C)Cn3cc(Cl)cn3)CC2)n1 ZINC000019236262 210234239 /nfs/dbraw/zinc/23/42/39/210234239.db2.gz CPQHGBQOMRTSBA-HNNXBMFYSA-N 1 1 375.904 2.611 40 0 GFABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@@H](C)Cn3cc(Cl)cn3)CC2)n1 ZINC000019236262 210234245 /nfs/dbraw/zinc/23/42/45/210234245.db2.gz CPQHGBQOMRTSBA-HNNXBMFYSA-N 1 1 375.904 2.611 40 0 GFABMO COc1ccc2c(c1)C[C@H](C(=O)N1CCC[N@H+](Cc3cccc(C)n3)CC1)CO2 ZINC000019236265 210233095 /nfs/dbraw/zinc/23/30/95/210233095.db2.gz HLWORPPGWRNJNC-IBGZPJMESA-N 1 1 395.503 2.684 40 0 GFABMO COc1ccc2c(c1)C[C@H](C(=O)N1CCC[N@@H+](Cc3cccc(C)n3)CC1)CO2 ZINC000019236265 210233101 /nfs/dbraw/zinc/23/31/01/210233101.db2.gz HLWORPPGWRNJNC-IBGZPJMESA-N 1 1 395.503 2.684 40 0 GFABMO C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C)N1CCCC1=O ZINC000019079553 210223110 /nfs/dbraw/zinc/22/31/10/210223110.db2.gz ZILLYOVZSCCCKW-KHHDVDEJSA-N 1 1 383.536 2.866 40 0 GFABMO O=C(C1CCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014885 210221994 /nfs/dbraw/zinc/22/19/94/210221994.db2.gz XFNYGJLWEDYEGC-INIZCTEOSA-N 1 1 384.524 2.989 40 0 GFABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2)CC1 ZINC000000902224 209278162 /nfs/dbraw/zinc/27/81/62/209278162.db2.gz IZCZYKKXHRPRKA-KRWDZBQOSA-N 1 1 393.553 2.778 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@@H]1C2 ZINC000306140320 212053829 /nfs/dbraw/zinc/05/38/29/212053829.db2.gz UPRKFLVGQDOYPL-GJZGRUSLSA-N 1 1 385.899 2.518 40 0 GFABMO O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1C[N@H+](Cc3ccc(F)cc3)C[C@@H]21 ZINC000306129124 212047605 /nfs/dbraw/zinc/04/76/05/212047605.db2.gz HVCBCEUSPKROKP-PKOBYXMFSA-N 1 1 391.450 2.576 40 0 GFABMO COc1ncccc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123239 212043372 /nfs/dbraw/zinc/04/33/72/212043372.db2.gz AIEYGXZHNLKIGI-SFTDATJTSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ncccc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123239 212043376 /nfs/dbraw/zinc/04/33/76/212043376.db2.gz AIEYGXZHNLKIGI-SFTDATJTSA-N 1 1 388.471 2.973 40 0 GFABMO CCN1CC[N@H+](CC(=O)NC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000257319667 212023914 /nfs/dbraw/zinc/02/39/14/212023914.db2.gz VTNMKSNDMVSGBC-OAQYLSRUSA-N 1 1 393.531 2.731 40 0 GFABMO CCN1CC[N@@H+](CC(=O)NC)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000257319667 212023918 /nfs/dbraw/zinc/02/39/18/212023918.db2.gz VTNMKSNDMVSGBC-OAQYLSRUSA-N 1 1 393.531 2.731 40 0 GFABMO CC(=O)N[C@]12CN(C(C)=O)[C@H](c3ccccc3)[C@H]1CC[N@@H+](Cc1ccccc1)C2 ZINC000257302053 212020530 /nfs/dbraw/zinc/02/05/30/212020530.db2.gz SBEVKOGLFZRWRB-WXFUMESZSA-N 1 1 391.515 2.987 40 0 GFABMO O=C(CN1CCCC1)NC[C@@]1(c2ccccc2)CC[C@H](O)[C@@H]([NH+]2CCCC2)CC1 ZINC000257262186 212012889 /nfs/dbraw/zinc/01/28/89/212012889.db2.gz LKMDXTIMFAUTJK-FIXSFTCYSA-N 1 1 399.579 2.536 40 0 GFABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000257244122 212008870 /nfs/dbraw/zinc/00/88/70/212008870.db2.gz IJYIFPUDXQLDNS-JOCHJYFZSA-N 1 1 393.531 2.942 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CCCn3cnc(C[N@@H+](C)C(C)C)c3C2)cc1 ZINC000096259266 211325303 /nfs/dbraw/zinc/32/53/03/211325303.db2.gz YZWVTIRAAAAXHH-UHFFFAOYSA-N 1 1 376.526 2.626 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CCCn3cnc(C[N@H+](C)C(C)C)c3C2)cc1 ZINC000096259266 211325306 /nfs/dbraw/zinc/32/53/06/211325306.db2.gz YZWVTIRAAAAXHH-UHFFFAOYSA-N 1 1 376.526 2.626 40 0 GFABMO COc1ccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)cc1 ZINC000096239942 211323383 /nfs/dbraw/zinc/32/33/83/211323383.db2.gz ODBWPPYQFCJJSP-UHFFFAOYSA-N 1 1 395.503 2.845 40 0 GFABMO Cc1nccc(-c2ccc(-c3noc(C[NH+]4CCC5(CC4)OCCO5)n3)cc2)n1 ZINC000072339986 211092827 /nfs/dbraw/zinc/09/28/27/211092827.db2.gz NJXNLUVFIURLER-UHFFFAOYSA-N 1 1 393.447 2.841 40 0 GFABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 ZINC000019710993 210286924 /nfs/dbraw/zinc/28/69/24/210286924.db2.gz ILIXUBPXJUUBQH-INIZCTEOSA-N 1 1 398.511 2.779 40 0 GFABMO Cc1oc2c(c1C(=O)N1CCc3nnc([C@@H]4CCC[N@H+](C)C4)n3CC1)CCCC2 ZINC000019709263 210283386 /nfs/dbraw/zinc/28/33/86/210283386.db2.gz YAECNBCJEXHQJC-MRXNPFEDSA-N 1 1 397.523 2.566 40 0 GFABMO Cc1cc2cc(C(=O)N3CCc4nnc([C@@H]5CCC[N@H+](C)C5)n4CC3)ccc2o1 ZINC000019709261 210283222 /nfs/dbraw/zinc/28/32/22/210283222.db2.gz ZNQKIUGOGPXQRT-QGZVFWFLSA-N 1 1 393.491 2.840 40 0 GFABMO C[N@@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 ZINC000019589020 210271721 /nfs/dbraw/zinc/27/17/21/210271721.db2.gz HTFJYYMRQCIOGV-LJQANCHMSA-N 1 1 380.492 2.963 40 0 GFABMO C[N@H+]1CCCC[C@@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 ZINC000019589020 210271722 /nfs/dbraw/zinc/27/17/22/210271722.db2.gz HTFJYYMRQCIOGV-LJQANCHMSA-N 1 1 380.492 2.963 40 0 GFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)NCC(c1ccccc1)c1ccccc1 ZINC000408708284 529102617 /nfs/dbraw/zinc/10/26/17/529102617.db2.gz XGKBSPAIRGXWMN-FQEVSTJZSA-N 1 1 379.504 2.535 40 0 GFABMO NCC1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218474026 553053923 /nfs/dbraw/zinc/05/39/23/553053923.db2.gz KVUJHVCOAZYBNB-JKSUJKDBSA-N 1 1 385.316 2.837 40 0 GFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@H]2c2ccc(Br)s2)cc1OC ZINC000072227060 570319373 /nfs/dbraw/zinc/31/93/73/570319373.db2.gz LZJVMQOMDCTPKE-LSDHHAIUSA-N 1 1 397.294 2.939 40 0 GFABMO C[N@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@@H](O)COc1ccccc1 ZINC000257206776 570486964 /nfs/dbraw/zinc/48/69/64/570486964.db2.gz BEVUXJGFJVJNRZ-HXUWFJFHSA-N 1 1 398.503 2.560 40 0 GFABMO COc1ccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000031666906 570505374 /nfs/dbraw/zinc/50/53/74/570505374.db2.gz NBVXTFYXVRQVQB-MRXNPFEDSA-N 1 1 376.884 2.911 40 0 GFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)c3cc(C4CC4)on3)C2)OC1 ZINC000575404311 570520570 /nfs/dbraw/zinc/52/05/70/570520570.db2.gz LNBWNNCORMCSCB-QGZVFWFLSA-N 1 1 396.491 2.700 40 0 GFABMO Fc1cc(Br)ccc1NC(=S)NCCC[NH+]1CCOCC1 ZINC000038253279 570579195 /nfs/dbraw/zinc/57/91/95/570579195.db2.gz ZGJCSHWYOYOZBH-UHFFFAOYSA-N 1 1 376.295 2.597 40 0 GFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)NCC4CCCCC4)ccc3c(=O)n2CC1 ZINC000012187093 570621328 /nfs/dbraw/zinc/62/13/28/570621328.db2.gz RLQYLBBLOGYQHM-UHFFFAOYSA-N 1 1 396.535 2.973 40 0 GFABMO COc1ccccc1C1(O)CC[NH+](CCNC(=O)c2c(F)cccc2F)CC1 ZINC000012290982 570632834 /nfs/dbraw/zinc/63/28/34/570632834.db2.gz ONUZQLBOEHQCNI-UHFFFAOYSA-N 1 1 390.430 2.687 40 0 GFABMO C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004909418 570647905 /nfs/dbraw/zinc/64/79/05/570647905.db2.gz AFAIINPWCJNJJC-DNVCBOLYSA-N 1 1 375.488 2.715 40 0 GFABMO CC1(C)[C@@H]2C[C@H]1C(COC[C@@H](O)C[NH+]1CCN(c3nccs3)CC1)=CC2 ZINC000109006213 570770414 /nfs/dbraw/zinc/77/04/14/570770414.db2.gz DASNRJNGYIFZAE-BZSNNMDCSA-N 1 1 377.554 2.635 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)cc1C ZINC000019709598 570898313 /nfs/dbraw/zinc/89/83/13/570898313.db2.gz GRXWMIJKTBCLRD-LJQANCHMSA-N 1 1 376.526 2.624 40 0 GFABMO C[C@H]1CCC[N@@H+](C[C@H]2CC3(CO2)CCN(S(=O)(=O)c2ccccc2)CC3)C1 ZINC000585103105 570931491 /nfs/dbraw/zinc/93/14/91/570931491.db2.gz DAUUMTSXCGXEHK-RBUKOAKNSA-N 1 1 392.565 2.978 40 0 GFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106045 570935959 /nfs/dbraw/zinc/93/59/59/570935959.db2.gz HFYLIDTYZYMKKR-DBVUQKKJSA-N 1 1 383.536 2.694 40 0 GFABMO Cn1nccc1C(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC000585109787 570938534 /nfs/dbraw/zinc/93/85/34/570938534.db2.gz UKXPCKQSFJVYLS-JENIJYKNSA-N 1 1 386.446 2.966 40 0 GFABMO COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC000585111122 570944938 /nfs/dbraw/zinc/94/49/38/570944938.db2.gz FHEFLKFZQNTLGJ-LJQANCHMSA-N 1 1 382.508 2.566 40 0 GFABMO Cc1ccc(NC(=O)COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)cc1 ZINC000409240873 231186146 /nfs/dbraw/zinc/18/61/46/231186146.db2.gz QLQYDMMRWMIBNG-UHFFFAOYSA-N 1 1 383.517 2.935 40 0 GFABMO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012145790 221158899 /nfs/dbraw/zinc/15/88/99/221158899.db2.gz LQVWFXMHUDNVNB-HKUYNNGSSA-N 1 1 397.519 2.782 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019079316 221394650 /nfs/dbraw/zinc/39/46/50/221394650.db2.gz QCHREHBMHBYQFG-YWZLYKJASA-N 1 1 396.491 2.604 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019079316 221394653 /nfs/dbraw/zinc/39/46/53/221394653.db2.gz QCHREHBMHBYQFG-YWZLYKJASA-N 1 1 396.491 2.604 40 0 GFABMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078781 221395632 /nfs/dbraw/zinc/39/56/32/221395632.db2.gz YJCLPKUGIOVFLJ-LIRRHRJNSA-N 1 1 384.455 2.735 40 0 GFABMO CC(C)(CN1CCOCC1)C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(c1ccc(F)cc1)C2 ZINC000019084964 221396933 /nfs/dbraw/zinc/39/69/33/221396933.db2.gz FXIIEILIRAJEMW-RLAPIPATSA-N 1 1 376.516 2.999 40 0 GFABMO CCCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019502136 221416992 /nfs/dbraw/zinc/41/69/92/221416992.db2.gz KCEVYYSXRGMEHG-RTWAWAEBSA-N 1 1 398.555 2.901 40 0 GFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000100135246 136188981 /nfs/dbraw/zinc/18/89/81/136188981.db2.gz ATDHLXQROIJYSZ-UXLLHSPISA-N 1 1 398.551 2.878 40 0 GFABMO C[C@@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000100135246 136188982 /nfs/dbraw/zinc/18/89/82/136188982.db2.gz ATDHLXQROIJYSZ-UXLLHSPISA-N 1 1 398.551 2.878 40 0 GFABMO Cc1[nH+]ccn1-c1nccnc1C1CCN(C(=O)COc2ccccc2)CC1 ZINC000072350591 222238057 /nfs/dbraw/zinc/23/80/57/222238057.db2.gz OSNWIDDAIXEMBZ-UHFFFAOYSA-N 1 1 377.448 2.756 40 0 GFABMO Cc1[nH+]ccn1-c1nccnc1[C@@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000072350592 222238069 /nfs/dbraw/zinc/23/80/69/222238069.db2.gz KRWQRMIMILQZKV-QGZVFWFLSA-N 1 1 377.448 2.756 40 0 GFABMO COCCOc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)ccc1OC ZINC000072373025 222243531 /nfs/dbraw/zinc/24/35/31/222243531.db2.gz BYYOUFNRUSEXSY-DLBZAZTESA-N 1 1 399.491 2.656 40 0 GFABMO COCC[N@@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075670 222377611 /nfs/dbraw/zinc/37/76/11/222377611.db2.gz ICOWWPUUQLPLAF-WZONZLPQSA-N 1 1 397.519 2.824 40 0 GFABMO COCC[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228767 222399693 /nfs/dbraw/zinc/39/96/93/222399693.db2.gz WNEAUELQJMHAMW-QHCPKHFHSA-N 1 1 397.519 2.678 40 0 GFABMO CCc1ccc([C@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)C[NH3+])cc1 ZINC000218502932 553053873 /nfs/dbraw/zinc/05/38/73/553053873.db2.gz KAYIDUZEWTVDAI-ROUUACIJSA-N 1 1 378.925 2.746 40 0 GFABMO Cn1cc(C[N@@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cn1 ZINC000514289983 560031169 /nfs/dbraw/zinc/03/11/69/560031169.db2.gz SGECRAWDJRZHDC-QNWVGRARSA-N 1 1 396.535 2.793 40 0 biogenic,in-vitro GFABMO Cn1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](NC(=O)C3CCCC3)[C@@H]2c2ccccc2)cn1 ZINC000514289983 560031171 /nfs/dbraw/zinc/03/11/71/560031171.db2.gz SGECRAWDJRZHDC-QNWVGRARSA-N 1 1 396.535 2.793 40 0 biogenic,in-vitro GFABMO COCC[N@H+]1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019766357 570217878 /nfs/dbraw/zinc/21/78/78/570217878.db2.gz ZLHHXOZHHCXDQS-KRWDZBQOSA-N 1 1 386.471 2.680 40 0 GFABMO COc1cccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccn2C)C3)c1 ZINC000096239873 570222202 /nfs/dbraw/zinc/22/22/02/570222202.db2.gz RUUOGTABHOVWTP-UHFFFAOYSA-N 1 1 397.519 2.789 40 0 GFABMO COc1cccc(C[N@H+]2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)c1 ZINC000096260344 570225406 /nfs/dbraw/zinc/22/54/06/570225406.db2.gz QPIVCMXPQCZWFM-UHFFFAOYSA-N 1 1 396.535 2.895 40 0 GFABMO COc1ccc(C[N@H+]2CCc3cc(C(=O)NC(C)C)c(N(C)C)nc3CC2)cc1 ZINC000096260336 570225461 /nfs/dbraw/zinc/22/54/61/570225461.db2.gz HWTNTIFUSGPMSM-UHFFFAOYSA-N 1 1 396.535 2.895 40 0 GFABMO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000020455643 570259220 /nfs/dbraw/zinc/25/92/20/570259220.db2.gz KHZLRBIFJRAAKX-UHFFFAOYSA-N 1 1 398.488 2.872 40 0 GFABMO COc1ccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023240203 570351931 /nfs/dbraw/zinc/35/19/31/570351931.db2.gz OAVAQKPPZWOJLK-QGZVFWFLSA-N 1 1 384.476 2.611 40 0 GFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)C1(c2ccccc2)CCOCC1 ZINC000224754296 570529250 /nfs/dbraw/zinc/52/92/50/570529250.db2.gz ZMHGMCYDDFDOIO-UHFFFAOYSA-N 1 1 394.515 2.883 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(CN2CCOCC2)cc1 ZINC000038756099 570582610 /nfs/dbraw/zinc/58/26/10/570582610.db2.gz ZDCFTTQEXGFIFP-UHFFFAOYSA-N 1 1 390.487 2.943 40 0 GFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257224708 570763670 /nfs/dbraw/zinc/76/36/70/570763670.db2.gz FCZBHZCEUODTME-MRXNPFEDSA-N 1 1 383.496 2.551 40 0 GFABMO Cc1nc2ccccc2n1CCC(=O)N(C)[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257228463 570764664 /nfs/dbraw/zinc/76/46/64/570764664.db2.gz FTYWUBUNZZITDC-KCZVDYSFSA-N 1 1 395.507 2.853 40 0 GFABMO CC(=O)N1CC[C@@H](O)[C@H]2[C@H](c3ccccc3)C[N@H+](Cc3ccc(C)nc3)[C@@H]2C1 ZINC000257241753 570768403 /nfs/dbraw/zinc/76/84/03/570768403.db2.gz HZMACUWIFKTSND-AFXVXQJMSA-N 1 1 379.504 2.587 40 0 GFABMO Cc1ncc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(C[NH+](C)C)n(C)n3)CC2)c(C)n1 ZINC000257312962 570779854 /nfs/dbraw/zinc/77/98/54/570779854.db2.gz UQKZBDGXXZEYKP-IYARVYRRSA-N 1 1 398.555 2.935 40 0 GFABMO CCc1nccn1-c1cccc([C@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)n1 ZINC000257321983 570781468 /nfs/dbraw/zinc/78/14/68/570781468.db2.gz WEDUJNOCEOSWOW-LJQANCHMSA-N 1 1 390.491 2.678 40 0 GFABMO CC(=O)N(C)Cc1cc([C@H]2CC[C@H](C[N@@H+](C)C3CCOCC3)CC2)nn1C ZINC000257238065 570892769 /nfs/dbraw/zinc/89/27/69/570892769.db2.gz HJLGHZBBCJXSRH-IYARVYRRSA-N 1 1 376.545 2.783 40 0 GFABMO O=C(N[C@H](Cc1cnc[nH]1)C(=O)OCc1ccccc1)OCc1ccccc1 ZINC000006628859 570905583 /nfs/dbraw/zinc/90/55/83/570905583.db2.gz NSUWDHSSVSZBJZ-LJQANCHMSA-N 1 1 379.416 2.991 40 0 GFABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21 ZINC000585109588 570937947 /nfs/dbraw/zinc/93/79/47/570937947.db2.gz CIERNOPZVXRUDA-QNWVGRARSA-N 1 1 398.478 2.875 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccco3)C[C@@H]1C2 ZINC000306131085 570939365 /nfs/dbraw/zinc/93/93/65/570939365.db2.gz JWDBWYNCCMBXFT-KBPBESRZSA-N 1 1 381.411 2.567 40 0 GFABMO Cc1ccc(C[N@H+]2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)s1 ZINC000306131299 570939917 /nfs/dbraw/zinc/93/99/17/570939917.db2.gz KAPKLKYGNPXTRN-MRXNPFEDSA-N 1 1 383.521 2.925 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)cc1 ZINC000306135770 570941910 /nfs/dbraw/zinc/94/19/10/570941910.db2.gz PADGUJWXOZCWEE-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)cc1 ZINC000306135770 570941913 /nfs/dbraw/zinc/94/19/13/570941913.db2.gz PADGUJWXOZCWEE-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO O=c1[nH]c(-c2cnccn2)nc2c1CC[N@@H+](Cc1c(F)cccc1Cl)CC2 ZINC000019292592 570972549 /nfs/dbraw/zinc/97/25/49/570972549.db2.gz KTLAMBKMWSEFCV-UHFFFAOYSA-N 1 1 385.830 2.620 40 0 GFABMO CC(C)C[N@H+]1CCC[C@H]1c1c(-c2ccnc(N3CCCC3)n2)cnn1CCO ZINC000019447197 570984251 /nfs/dbraw/zinc/98/42/51/570984251.db2.gz OVIIRBADKTYCMM-IBGZPJMESA-N 1 1 384.528 2.726 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448293 570985144 /nfs/dbraw/zinc/98/51/44/570985144.db2.gz AOSTXDPQKFNGCS-SFHVURJKSA-N 1 1 384.455 2.653 40 0 GFABMO CC(C)Oc1cccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)c1 ZINC000019450901 570985569 /nfs/dbraw/zinc/98/55/69/570985569.db2.gz HJMWHFHDWLGBIC-UHFFFAOYSA-N 1 1 391.475 2.615 40 0 GFABMO COc1ccc(F)c(C[N@H+]2CC[C@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 ZINC000019551435 571000869 /nfs/dbraw/zinc/00/08/69/571000869.db2.gz GERHLSAGDLBMHT-HNNXBMFYSA-N 1 1 380.423 2.969 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019551442 571000891 /nfs/dbraw/zinc/00/08/91/571000891.db2.gz MESQWJMDPUOWOV-MRXNPFEDSA-N 1 1 392.459 2.839 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CC[C@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019551448 571001620 /nfs/dbraw/zinc/00/16/20/571001620.db2.gz BDTSEIARTYPTDR-INIZCTEOSA-N 1 1 392.459 2.839 40 0 GFABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)c(OC)c1 ZINC000019552505 571002051 /nfs/dbraw/zinc/00/20/51/571002051.db2.gz WIAMGNWXPQEGPC-PCCBWWKXSA-N 1 1 382.504 2.566 40 0 GFABMO C[C@H]([C@@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087826 571003798 /nfs/dbraw/zinc/00/37/98/571003798.db2.gz XVWDEHLVPDHPLZ-SJKOYZFVSA-N 1 1 378.270 2.837 40 0 GFABMO C[C@H]([C@@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087826 571003801 /nfs/dbraw/zinc/00/38/01/571003801.db2.gz XVWDEHLVPDHPLZ-SJKOYZFVSA-N 1 1 378.270 2.837 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)cc1OC ZINC000019560832 571005415 /nfs/dbraw/zinc/00/54/15/571005415.db2.gz YQLRXRUOAUIFNF-QGZVFWFLSA-N 1 1 392.459 2.839 40 0 GFABMO COc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc1OC ZINC000019561202 571005944 /nfs/dbraw/zinc/00/59/44/571005944.db2.gz RUDDOYFGAWEYDH-QHAWAJNXSA-N 1 1 382.504 2.566 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4ccccn4)n3)C2)c1OC ZINC000019567914 571008783 /nfs/dbraw/zinc/00/87/83/571008783.db2.gz JESSVTLLUJSAGT-MRXNPFEDSA-N 1 1 394.479 2.665 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)n1 ZINC000019572828 571010593 /nfs/dbraw/zinc/01/05/93/571010593.db2.gz OHJCCJNDANRXCJ-QZTJIDSGSA-N 1 1 396.539 2.635 40 0 GFABMO COc1ccc(CN2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)cc1C[NH+](C)C ZINC000019583405 571014051 /nfs/dbraw/zinc/01/40/51/571014051.db2.gz CCMXXNQSHNQRIP-SFHVURJKSA-N 1 1 396.535 2.639 40 0 GFABMO Cc1nc(CC(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)cs1 ZINC000019698330 571031100 /nfs/dbraw/zinc/03/11/00/571031100.db2.gz UNBAHOUGOQGNQJ-FQEVSTJZSA-N 1 1 399.564 2.813 40 0 GFABMO CNc1nc([C@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019708595 571033210 /nfs/dbraw/zinc/03/32/10/571033210.db2.gz XVFNKTNKEAHCPE-HXUWFJFHSA-N 1 1 379.508 2.803 40 0 GFABMO Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nnc3n1CC[N@H+](C)CC3)CCCC2 ZINC000019710763 571034852 /nfs/dbraw/zinc/03/48/52/571034852.db2.gz HRFMKBRSFKZAMW-INIZCTEOSA-N 1 1 383.496 2.524 40 0 GFABMO Cc1nc(N[C@@H](C)CO)cc(N2CCc3ccc(Br)cc3C2)[nH+]1 ZINC000329029607 212093277 /nfs/dbraw/zinc/09/32/77/212093277.db2.gz PZLFVNKCRVJBDW-NSHDSACASA-N 1 1 377.286 2.903 40 0 GFABMO COc1ccc(CN(Cc2c[nH+]c(C)n2C)C[C@@H]2CCCO2)c(OC)c1OC ZINC000012147076 221159769 /nfs/dbraw/zinc/15/97/69/221159769.db2.gz DPEHSKVUFRLFGS-SFHVURJKSA-N 1 1 389.496 2.936 40 0 GFABMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@H]2c1cccnc1 ZINC000014607533 221313564 /nfs/dbraw/zinc/31/35/64/221313564.db2.gz XFXCCGYVXZYDBK-QGZVFWFLSA-N 1 1 380.839 2.718 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000019021811 221395142 /nfs/dbraw/zinc/39/51/42/221395142.db2.gz PDGYQJLCGXUTSE-SFHVURJKSA-N 1 1 393.491 2.566 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)CCN2Cc3ccccc3C2=O)CC1 ZINC000019288075 221402998 /nfs/dbraw/zinc/40/29/98/221402998.db2.gz XJWNPQUIJNFVRO-UHFFFAOYSA-N 1 1 380.492 2.866 40 0 GFABMO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+]([C@H](C)C(N)=O)CC3)c12 ZINC000072336995 222229673 /nfs/dbraw/zinc/22/96/73/222229673.db2.gz RIDYQOXCJAYZSK-OAHLLOKOSA-N 1 1 385.512 2.880 40 0 GFABMO COc1cccc(-c2cncc([C@@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072359389 222239345 /nfs/dbraw/zinc/23/93/45/222239345.db2.gz DWCPWWBYZPUUOW-GOSISDBHSA-N 1 1 380.492 2.954 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)c2cccc3cccnc32)C1 ZINC000072374018 222242592 /nfs/dbraw/zinc/24/25/92/222242592.db2.gz ZJVQGERTHICYFD-KRWDZBQOSA-N 1 1 376.464 2.639 40 0 GFABMO O=C(c1cc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)n[nH]1)N1CCOCC1 ZINC000072380623 222244646 /nfs/dbraw/zinc/24/46/46/222244646.db2.gz LPYPVIKKBKYMGW-LJQANCHMSA-N 1 1 382.508 2.694 40 0 GFABMO O=C(c1cc([C@@H]2CCC[N@H+](CCCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380623 222244648 /nfs/dbraw/zinc/24/46/48/222244648.db2.gz LPYPVIKKBKYMGW-LJQANCHMSA-N 1 1 382.508 2.694 40 0 GFABMO O=C(c1cc([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)[nH]n1)N1CCOCC1 ZINC000072380623 222244650 /nfs/dbraw/zinc/24/46/50/222244650.db2.gz LPYPVIKKBKYMGW-LJQANCHMSA-N 1 1 382.508 2.694 40 0 GFABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)ncn1 ZINC000072377641 222244996 /nfs/dbraw/zinc/24/49/96/222244996.db2.gz KJINJSACFMMLRY-MRXNPFEDSA-N 1 1 376.468 2.827 40 0 GFABMO Cn1nc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)cc1C[NH+](C)C ZINC000019709069 551114624 /nfs/dbraw/zinc/11/46/24/551114624.db2.gz UHODFRSEAHACEV-INIZCTEOSA-N 1 1 382.917 2.661 40 0 GFABMO CCc1ccc([C@@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)C[NH3+])cc1 ZINC000218503013 553053849 /nfs/dbraw/zinc/05/38/49/553053849.db2.gz KAYIDUZEWTVDAI-QZTJIDSGSA-N 1 1 378.925 2.746 40 0 GFABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000218473953 553054050 /nfs/dbraw/zinc/05/40/50/553054050.db2.gz KVUJHVCOAZYBNB-HZPDHXFCSA-N 1 1 385.316 2.837 40 0 GFABMO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000096316382 560053977 /nfs/dbraw/zinc/05/39/77/560053977.db2.gz FNIFBBNFYMIPEZ-PIHUIAAXSA-N 1 1 395.499 2.895 40 0 biogenic,in-vitro GFABMO Cc1nc(C2CC[NH+](Cc3cnc(C(C)C)nc3)CC2)nc2c1CCC(=O)N2C ZINC000019739277 570212328 /nfs/dbraw/zinc/21/23/28/570212328.db2.gz UYPZCQNQJWQWNL-UHFFFAOYSA-N 1 1 394.523 2.987 40 0 GFABMO COCC[N@@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096228482 570221335 /nfs/dbraw/zinc/22/13/35/570221335.db2.gz WIIGKHDZGCHYPH-FDDCHVKYSA-N 1 1 397.519 2.824 40 0 GFABMO CN1CC[N@@H+](CC2CC2)C2(CCN(Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC000096230295 570221581 /nfs/dbraw/zinc/22/15/81/570221581.db2.gz GBLGLTKOVZMXGR-UHFFFAOYSA-N 1 1 379.907 2.998 40 0 GFABMO CN1CCN(CC2CC2)C2(CC[NH+](Cc3ccc(Cl)c(F)c3)CC2)C1=O ZINC000096230295 570221584 /nfs/dbraw/zinc/22/15/84/570221584.db2.gz GBLGLTKOVZMXGR-UHFFFAOYSA-N 1 1 379.907 2.998 40 0 GFABMO O=C(C[N@@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2)Nc1cccc(F)c1 ZINC000585262209 570229760 /nfs/dbraw/zinc/22/97/60/570229760.db2.gz YMZMMAPAKMHSDS-SIKLNZKXSA-N 1 1 381.451 2.903 40 0 GFABMO O=C(C[N@H+]1C[C@@H](c2ccccc2)[C@]2(C1)CCCC(=O)N2)Nc1cccc(F)c1 ZINC000585262209 570229762 /nfs/dbraw/zinc/22/97/62/570229762.db2.gz YMZMMAPAKMHSDS-SIKLNZKXSA-N 1 1 381.451 2.903 40 0 GFABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585282088 570250152 /nfs/dbraw/zinc/25/01/52/570250152.db2.gz AFTUJGJDILYLDK-FGZHOGPDSA-N 1 1 385.552 2.802 40 0 GFABMO Cc1cc(OC[C@@]2(O)COCC[N@@H+](CC3(O)CCCCCC3)C2)ccc1F ZINC000585282705 570250844 /nfs/dbraw/zinc/25/08/44/570250844.db2.gz NBABSQRTGNPWJB-NRFANRHFSA-N 1 1 381.488 2.662 40 0 GFABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585284636 570254027 /nfs/dbraw/zinc/25/40/27/570254027.db2.gz UDMBVLSLMYURTJ-PMACEKPBSA-N 1 1 389.515 2.632 40 0 GFABMO C[N@H+](Cc1ccc(OCCOCCO)cc1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257294129 570488664 /nfs/dbraw/zinc/48/86/64/570488664.db2.gz QSQQVXPOCYTQFO-OAQYLSRUSA-N 1 1 398.503 2.522 40 0 GFABMO COC[C@H]1C[N@@H+](Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 ZINC000247901088 570717083 /nfs/dbraw/zinc/71/70/83/570717083.db2.gz VYFNLSOTTJZBNN-OAHLLOKOSA-N 1 1 375.494 2.737 40 0 GFABMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 ZINC000257231726 570765580 /nfs/dbraw/zinc/76/55/80/570765580.db2.gz GHYKYRUFJOMNJK-QGZVFWFLSA-N 1 1 382.508 2.988 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257255396 570771055 /nfs/dbraw/zinc/77/10/55/570771055.db2.gz KHHLCJRPVUWREB-MRXNPFEDSA-N 1 1 393.495 2.984 40 0 GFABMO CNC(=O)c1sc2nc([C@]3(C)CCC[N@@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257264837 570772453 /nfs/dbraw/zinc/77/24/53/570772453.db2.gz LWESYJTUVNHEBJ-HXUWFJFHSA-N 1 1 396.520 2.582 40 0 GFABMO CN(C)C(=O)C[N@@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257323725 570781354 /nfs/dbraw/zinc/78/13/54/570781354.db2.gz WLPLDSLMBOASCQ-BXWFABGCSA-N 1 1 397.441 2.968 40 0 GFABMO CN(C)C(=O)C[N@H+]1[C@H](c2cccc(C(F)(F)F)c2)C[C@]2(C)NC(=O)CCC[C@H]12 ZINC000257323725 570781356 /nfs/dbraw/zinc/78/13/56/570781356.db2.gz WLPLDSLMBOASCQ-BXWFABGCSA-N 1 1 397.441 2.968 40 0 GFABMO C[N@H+]1C[C@H](c2ccccc2)[C@H]2CN(C(=O)c3cc4c([nH]c3=O)CCC4)CC[C@H]21 ZINC000257330328 570782978 /nfs/dbraw/zinc/78/29/78/570782978.db2.gz XNXFDQIFAIRZDF-SFHLNBCPSA-N 1 1 377.488 2.836 40 0 GFABMO O=S(=O)(NCC[C@@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1)C1CC1 ZINC000585095037 570921365 /nfs/dbraw/zinc/92/13/65/570921365.db2.gz AUELOPWJHKIVPX-HNNXBMFYSA-N 1 1 379.551 2.654 40 0 GFABMO O=S(=O)(NCC[C@@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1)C1CC1 ZINC000585095037 570921366 /nfs/dbraw/zinc/92/13/66/570921366.db2.gz AUELOPWJHKIVPX-HNNXBMFYSA-N 1 1 379.551 2.654 40 0 GFABMO O=C(CN1CCOCC1)N1CCC[C@@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100394 570924494 /nfs/dbraw/zinc/92/44/94/570924494.db2.gz MVBLOZIWSJYGGN-JOCHJYFZSA-N 1 1 389.515 2.505 40 0 GFABMO Cc1cc(C[N@H+]2CCC[C@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n(C)n1 ZINC000585099843 570925905 /nfs/dbraw/zinc/92/59/05/570925905.db2.gz HOGHFQVSAUAQEM-NRFANRHFSA-N 1 1 385.512 2.881 40 0 GFABMO C[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105107 570934236 /nfs/dbraw/zinc/93/42/36/570934236.db2.gz YGRRXSUICMAAAA-NJDAHSKKSA-N 1 1 386.536 2.933 40 0 GFABMO Cc1nc(C[N@H+]2C[C@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@H]3C2)cs1 ZINC000585107578 570935361 /nfs/dbraw/zinc/93/53/61/570935361.db2.gz HYFBRYJSSWIKEO-GASCZTMLSA-N 1 1 377.460 2.863 40 0 GFABMO Cc1nc(C[N@@H+]2C[C@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@H]3C2)cs1 ZINC000585107578 570935362 /nfs/dbraw/zinc/93/53/62/570935362.db2.gz HYFBRYJSSWIKEO-GASCZTMLSA-N 1 1 377.460 2.863 40 0 GFABMO CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@]12C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123909 570935721 /nfs/dbraw/zinc/93/57/21/570935721.db2.gz BAHBELYJQDXKMC-AQNXPRMDSA-N 1 1 384.586 2.932 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@H]1C2 ZINC000306124015 570935806 /nfs/dbraw/zinc/93/58/06/570935806.db2.gz BDBPGRQWSJNXBW-HUUCEWRRSA-N 1 1 385.899 2.518 40 0 GFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106119 570935827 /nfs/dbraw/zinc/93/58/27/570935827.db2.gz NTDLEVDQWJFQFF-UAGQMJEPSA-N 1 1 389.565 2.755 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)cs1 ZINC000306133207 570941073 /nfs/dbraw/zinc/94/10/73/570941073.db2.gz MFCHAOOKZHYQOC-RTBURBONSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccnc4)C[C@H]32)cs1 ZINC000306133207 570941074 /nfs/dbraw/zinc/94/10/74/570941074.db2.gz MFCHAOOKZHYQOC-RTBURBONSA-N 1 1 379.489 2.730 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H](c3cccc(C)n3)[C@]3(C2)CCCC(=O)N3)cc1CO ZINC000019236365 570966606 /nfs/dbraw/zinc/96/66/06/570966606.db2.gz ZGRPYSDZBFMZCI-WMZHIEFXSA-N 1 1 395.503 2.529 40 0 GFABMO Cc1ccnc(-n2cccc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019238214 570967592 /nfs/dbraw/zinc/96/75/92/570967592.db2.gz KGYMGZCMFZAJLR-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO Cc1ccnc(-n2cccc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019238214 570967596 /nfs/dbraw/zinc/96/75/96/570967596.db2.gz KGYMGZCMFZAJLR-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)CCc2ccc3c(c2)C[C@H](C)O3)CC1 ZINC000019287857 570970645 /nfs/dbraw/zinc/97/06/45/570970645.db2.gz QHVWDIVFJMMWKE-INIZCTEOSA-N 1 1 383.492 2.501 40 0 GFABMO O=C(c1cc([C@H]2CCC[N@@H+](Cc3cccc(F)c3)C2)no1)N1CCC(O)CC1 ZINC000019293829 570973234 /nfs/dbraw/zinc/97/32/34/570973234.db2.gz BRBFPDLDFPGFDH-INIZCTEOSA-N 1 1 387.455 2.790 40 0 GFABMO COc1ncc(C[NH+]2CCC([C@@H](NC(=O)CC(C)C)c3ccccn3)CC2)cn1 ZINC000019446708 570984190 /nfs/dbraw/zinc/98/41/90/570984190.db2.gz IPCAKGOHVHMTOT-OAQYLSRUSA-N 1 1 397.523 2.996 40 0 GFABMO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@H+](Cc3cnc(C(C)C)nc3)C1)CC2 ZINC000019454022 570986789 /nfs/dbraw/zinc/98/67/89/570986789.db2.gz JPECOEIDWKJVOE-JOCHJYFZSA-N 1 1 380.492 2.929 40 0 GFABMO COc1ccc2c(c1)C(=O)N[C@@]1(CC[N@@H+](Cc3cnc(C(C)C)nc3)C1)CC2 ZINC000019454022 570986792 /nfs/dbraw/zinc/98/67/92/570986792.db2.gz JPECOEIDWKJVOE-JOCHJYFZSA-N 1 1 380.492 2.929 40 0 GFABMO CCc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](Cc3cc(OC)c(OC)c(OC)c3)C2)n1 ZINC000019522490 570995387 /nfs/dbraw/zinc/99/53/87/570995387.db2.gz PLGICVPIRPGZQR-OAHLLOKOSA-N 1 1 387.480 2.738 40 0 GFABMO COc1cccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC ZINC000019567625 571008769 /nfs/dbraw/zinc/00/87/69/571008769.db2.gz IKZWTARTLYTMFW-QGZVFWFLSA-N 1 1 392.459 2.839 40 0 GFABMO COc1cccc(CN2CCC[C@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1OC ZINC000019590477 571018099 /nfs/dbraw/zinc/01/80/99/571018099.db2.gz NJRRSKNSKIPXSK-KRWDZBQOSA-N 1 1 382.508 2.861 40 0 GFABMO COc1cccc(CN2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1OC ZINC000019590477 571018100 /nfs/dbraw/zinc/01/81/00/571018100.db2.gz NJRRSKNSKIPXSK-KRWDZBQOSA-N 1 1 382.508 2.861 40 0 GFABMO CC(C)[C@@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)[NH+]1CCOCC1 ZINC000019662549 571026701 /nfs/dbraw/zinc/02/67/01/571026701.db2.gz FGQZQSGOHWJMLW-LJQANCHMSA-N 1 1 394.943 2.861 40 0 GFABMO Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@@H]3CCC[N@H+](C)C3)n2CC1 ZINC000019709253 571033507 /nfs/dbraw/zinc/03/35/07/571033507.db2.gz YUMDQKBIPJBUGP-MRXNPFEDSA-N 1 1 393.491 2.840 40 0 GFABMO COc1ccc2c3c1O[C@H]1C4(CC[C@H]5[C@H](C2)[N@H+](CC2CC2)CC[C@@]315)OCCO4 ZINC000005158830 220838005 /nfs/dbraw/zinc/83/80/05/220838005.db2.gz ZKNHXBONWOGIMA-PEYKTXOXSA-N 1 1 383.488 2.888 40 0 GFABMO Cc1cc(-c2cncnc2C2CC[NH+](CC(=O)NCc3ccco3)CC2)on1 ZINC000012118305 221152728 /nfs/dbraw/zinc/15/27/28/221152728.db2.gz XNZFUIBIONRZEW-UHFFFAOYSA-N 1 1 381.436 2.529 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)c2nccnc21 ZINC000019021562 221394733 /nfs/dbraw/zinc/39/47/33/221394733.db2.gz JJHPPRAVOBMXRJ-INIZCTEOSA-N 1 1 398.898 2.605 40 0 GFABMO Cc1c(C(=O)CN2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc2n1C ZINC000019117563 221397789 /nfs/dbraw/zinc/39/77/89/221397789.db2.gz KMZCUYVDDFDGIA-UHFFFAOYSA-N 1 1 377.492 2.898 40 0 GFABMO Cc1ccc(C[N@H+]2CC[C@@]3(C2)COCc2c(C)nc(N4CCOCC4)nc23)cc1 ZINC000096244562 136185698 /nfs/dbraw/zinc/18/56/98/136185698.db2.gz MBQAQYFUUHLNCA-HSZRJFAPSA-N 1 1 394.519 2.604 40 0 GFABMO COc1cccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)N4CCOCC4)C3)n2)c1 ZINC000072348721 222234521 /nfs/dbraw/zinc/23/45/21/222234521.db2.gz GTZKUPMGDRXBCQ-IBGZPJMESA-N 1 1 395.503 2.795 40 0 GFABMO Cc1[nH+]ccn1-c1cncc([C@@H]2CCCN2S(=O)(=O)c2ccc(F)cc2)n1 ZINC000072378747 222245359 /nfs/dbraw/zinc/24/53/59/222245359.db2.gz PWDZOFDCIYJAKT-KRWDZBQOSA-N 1 1 387.440 2.636 40 0 GFABMO O=C(c1nc[nH]n1)N1CCC2(CC1)C[N@@H+](Cc1ccco1)Cc1ccccc12 ZINC000096079565 222376292 /nfs/dbraw/zinc/37/62/92/222376292.db2.gz UEEMPYNMJKINNA-UHFFFAOYSA-N 1 1 377.448 2.588 40 0 GFABMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000247503606 553122986 /nfs/dbraw/zinc/12/29/86/553122986.db2.gz GGCXBVIXFUQBIV-RTBURBONSA-N 1 1 376.547 2.926 40 0 GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514290045 560030762 /nfs/dbraw/zinc/03/07/62/560030762.db2.gz RHNLDBSIIBEXBU-FDFHNCONSA-N 1 1 386.467 2.655 40 0 biogenic,in-vitro GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cccc(F)c2)CC[C@@]1(C)O ZINC000514290045 560030764 /nfs/dbraw/zinc/03/07/64/560030764.db2.gz RHNLDBSIIBEXBU-FDFHNCONSA-N 1 1 386.467 2.655 40 0 biogenic,in-vitro GFABMO COc1ccc(C[N@@H+]2C[C@H]3C[C@H](Cn4c3ccc(-c3cncnc3)c4=O)C2)cc1 ZINC000004237334 560197772 /nfs/dbraw/zinc/19/77/72/560197772.db2.gz JISYAVHSLHYTIN-ZWKOTPCHSA-N 1 1 388.471 2.933 40 0 biogenic,in-vitro GFABMO COCC[N@@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3[nH]ccc3c1)C2 ZINC000096228480 570221500 /nfs/dbraw/zinc/22/15/00/570221500.db2.gz HSGRKVMRIIHTOE-HTAPYJJXSA-N 1 1 385.508 2.757 40 0 GFABMO COCCN1C(=O)[C@]2(CC[C@@H]3C[N@@H+](Cc4cccc(Cl)c4)C[C@@H]32)N=C1C ZINC000096261516 570226192 /nfs/dbraw/zinc/22/61/92/570226192.db2.gz WNEXXHOWDJOYPP-IMFGXOCKSA-N 1 1 375.900 2.828 40 0 GFABMO CCN1CC[C@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2ccoc2)CC3)C1=O ZINC000096262762 570226496 /nfs/dbraw/zinc/22/64/96/570226496.db2.gz FGRLCGYJIYOPBL-QFIPXVFZSA-N 1 1 387.524 2.712 40 0 GFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@H](O)COc2cccc(OC)c2)cc1 ZINC000585269817 570238922 /nfs/dbraw/zinc/23/89/22/570238922.db2.gz LHLUXNDYZOCXJO-IBGZPJMESA-N 1 1 389.492 2.982 40 0 GFABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585283880 570251731 /nfs/dbraw/zinc/25/17/31/570251731.db2.gz PKOKUNVTJDPZDT-SFTDATJTSA-N 1 1 385.552 2.802 40 0 GFABMO C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)C1 ZINC000000902205 570514321 /nfs/dbraw/zinc/51/43/21/570514321.db2.gz XZNIOEZQUAWVKZ-INIZCTEOSA-N 1 1 379.526 2.532 40 0 GFABMO C[NH+]1CCN(C(=O)C2(Cc3ccc(-c4cccnc4)cc3)CCOCC2)CC1 ZINC000257316137 570780557 /nfs/dbraw/zinc/78/05/57/570780557.db2.gz VEHTZJMSGCADIV-UHFFFAOYSA-N 1 1 379.504 2.862 40 0 GFABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc([C@@H]3NC(=O)c4cccnc4N3C)cc2)C1 ZINC000072341144 570880764 /nfs/dbraw/zinc/88/07/64/570880764.db2.gz CFECCYGMHUMAFX-FOIQADDNSA-N 1 1 393.491 2.630 40 0 GFABMO CC[N@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119911107 570924796 /nfs/dbraw/zinc/92/47/96/570924796.db2.gz PZCJSJAMALAIBG-LLVKDONJSA-N 1 1 377.794 2.898 40 0 GFABMO C[NH+]1CCN([C@H](c2nnnn2Cc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019589865 570927774 /nfs/dbraw/zinc/92/77/74/570927774.db2.gz WBTBTDFNXSZPEC-IBGZPJMESA-N 1 1 382.899 2.712 40 0 GFABMO Cc1nc(C)c(C[N@@H+]2CCC[C@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 ZINC000585100868 570928689 /nfs/dbraw/zinc/92/86/89/570928689.db2.gz ZSRKEPCQBPPCEP-FQEVSTJZSA-N 1 1 392.569 2.632 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[NH+]3CC(C)(OC)C3)C2)CC1 ZINC000585104858 570934019 /nfs/dbraw/zinc/93/40/19/570934019.db2.gz URBVHAZDBZUWMX-IBGZPJMESA-N 1 1 386.536 2.981 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000306124314 570935910 /nfs/dbraw/zinc/93/59/10/570935910.db2.gz BMMYKKYWDIUCNR-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000306124314 570935912 /nfs/dbraw/zinc/93/59/12/570935912.db2.gz BMMYKKYWDIUCNR-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4cc(C)cc(C)c4)C[C@@H]3S2(=O)=O)cs1 ZINC000306125348 570936341 /nfs/dbraw/zinc/93/63/41/570936341.db2.gz CNAAZWBNQAPSDB-MJGOQNOKSA-N 1 1 391.562 2.714 40 0 GFABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1cccs1)C[C@@H]2c1cccnc1 ZINC000306128070 570938080 /nfs/dbraw/zinc/93/80/80/570938080.db2.gz GPHRUCIVJDEBJQ-CTNGQTDRSA-N 1 1 383.517 2.750 40 0 GFABMO Cn1cc(CN2Cc3sc(N4CC[NH+](C)CC4)nc3-c3ccccc3C2)cn1 ZINC000306133281 570940881 /nfs/dbraw/zinc/94/08/81/570940881.db2.gz MHJKVDGMDJCBCE-UHFFFAOYSA-N 1 1 394.548 2.811 40 0 GFABMO CCNC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134134 570941509 /nfs/dbraw/zinc/94/15/09/570941509.db2.gz NEBFHRAJPYSJBH-TZIWHRDSSA-N 1 1 391.512 2.624 40 0 GFABMO CCNC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134134 570941511 /nfs/dbraw/zinc/94/15/11/570941511.db2.gz NEBFHRAJPYSJBH-TZIWHRDSSA-N 1 1 391.512 2.624 40 0 GFABMO COc1ccc(-c2nnc3n(c2=O)CC[C@]32CC[N@@H+](Cc3ccsc3)C2)cc1 ZINC000306135717 570942251 /nfs/dbraw/zinc/94/22/51/570942251.db2.gz OYMVQJCKPXBJHE-NRFANRHFSA-N 1 1 394.500 2.923 40 0 GFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140951 570944820 /nfs/dbraw/zinc/94/48/20/570944820.db2.gz VHMMBLHRYJUDKO-GHTZIAJQSA-N 1 1 386.496 2.522 40 0 GFABMO CCOc1ccccc1C[N@@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 ZINC000019520196 570994030 /nfs/dbraw/zinc/99/40/30/570994030.db2.gz AZBYQKMHICWSMO-UHFFFAOYSA-N 1 1 382.508 2.963 40 0 GFABMO CCOc1ccccc1C[N@H+]1CCc2c(nc(N3CCC(C)CC3)[nH]c2=O)C1 ZINC000019520196 570994035 /nfs/dbraw/zinc/99/40/35/570994035.db2.gz AZBYQKMHICWSMO-UHFFFAOYSA-N 1 1 382.508 2.963 40 0 GFABMO CCc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000019522921 570995317 /nfs/dbraw/zinc/99/53/17/570995317.db2.gz OOKXPWCJGBUJIA-OAQYLSRUSA-N 1 1 380.492 2.979 40 0 GFABMO COc1ccc(C[N@@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019554824 571003030 /nfs/dbraw/zinc/00/30/30/571003030.db2.gz FNRUVFAZGGOKCC-NRFANRHFSA-N 1 1 398.507 2.503 40 0 GFABMO COc1ccc(C[N@H+](Cc2ccnc(N3CCOCC3)n2)C[C@@H]2CCCO2)cc1 ZINC000019554824 571003033 /nfs/dbraw/zinc/00/30/33/571003033.db2.gz FNRUVFAZGGOKCC-NRFANRHFSA-N 1 1 398.507 2.503 40 0 GFABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019576042 571011698 /nfs/dbraw/zinc/01/16/98/571011698.db2.gz XHCALFYQEZPZDG-YSIASYRMSA-N 1 1 376.504 2.724 40 0 GFABMO COc1ccc(OC)c(C[N@@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1 ZINC000019576397 571011852 /nfs/dbraw/zinc/01/18/52/571011852.db2.gz QZOHFNVYAMFOQV-OFNKIYASSA-N 1 1 394.471 2.863 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1 ZINC000019576397 571011854 /nfs/dbraw/zinc/01/18/54/571011854.db2.gz QZOHFNVYAMFOQV-OFNKIYASSA-N 1 1 394.471 2.863 40 0 GFABMO COc1ccc(CC(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1F ZINC000019590681 571018563 /nfs/dbraw/zinc/01/85/63/571018563.db2.gz CCHJDEXCLOKFQL-UHFFFAOYSA-N 1 1 398.482 2.561 40 0 GFABMO CNc1nc([C@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)c1cccc(OC)c1)CC2 ZINC000019711447 571035585 /nfs/dbraw/zinc/03/55/85/571035585.db2.gz HFAYJWWKWYVXQX-INIZCTEOSA-N 1 1 395.507 2.535 40 0 GFABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@]12CCCO2 ZINC000257284684 222769604 /nfs/dbraw/zinc/76/96/04/222769604.db2.gz PDUKEHYXRBOHBE-RDJZCZTQSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@@]12CCCO2 ZINC000257284684 222769605 /nfs/dbraw/zinc/76/96/05/222769605.db2.gz PDUKEHYXRBOHBE-RDJZCZTQSA-N 1 1 383.286 2.658 40 0 GFABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@H](CO)C(C)C)nc(C)[nH+]1)C2 ZINC000329060275 212094367 /nfs/dbraw/zinc/09/43/67/212094367.db2.gz WKSGWSGFLHHVGB-GOSISDBHSA-N 1 1 384.480 2.563 40 0 GFABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4nccnc4c2)C3)CC1 ZINC000012183659 221162895 /nfs/dbraw/zinc/16/28/95/221162895.db2.gz RQJASOTXAZTUHC-UHFFFAOYSA-N 1 1 390.491 2.508 40 0 GFABMO CC1CCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4nccnc4c2)C3)CC1 ZINC000012183659 221162896 /nfs/dbraw/zinc/16/28/96/221162896.db2.gz RQJASOTXAZTUHC-UHFFFAOYSA-N 1 1 390.491 2.508 40 0 GFABMO Cc1cc(N2CCN(C(=O)c3cc(=O)c4cc(C)c(C)cc4o3)CC2)nc(C)[nH+]1 ZINC000012290753 221174680 /nfs/dbraw/zinc/17/46/80/221174680.db2.gz LWZKGPFEYLLIEA-UHFFFAOYSA-N 1 1 392.459 2.779 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)cc1 ZINC000019018393 221394066 /nfs/dbraw/zinc/39/40/66/221394066.db2.gz XWELYQNWRHVFTA-SFHVURJKSA-N 1 1 380.492 2.769 40 0 GFABMO CC[NH+]1CCN([C@@H](c2nnnn2C2CCCCC2)c2ccccc2OC)CC1 ZINC000019528098 221423497 /nfs/dbraw/zinc/42/34/97/221423497.db2.gz RRUIPYYTQTVLSY-HXUWFJFHSA-N 1 1 384.528 2.914 40 0 GFABMO CSc1nnc([C@H]2CCC[N@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001430 136194315 /nfs/dbraw/zinc/19/43/15/136194315.db2.gz XSJJWGURFPJKPW-INIZCTEOSA-N 1 1 385.537 2.696 40 0 GFABMO CSc1nnc([C@H]2CCC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001430 136194316 /nfs/dbraw/zinc/19/43/16/136194316.db2.gz XSJJWGURFPJKPW-INIZCTEOSA-N 1 1 385.537 2.696 40 0 GFABMO CC1(C)[C@H]2C[C@@H]1C(COC[C@H](O)C[NH+]1CCN(c3nccs3)CC1)=CC2 ZINC000055471755 222023462 /nfs/dbraw/zinc/02/34/62/222023462.db2.gz DASNRJNGYIFZAE-KZNAEPCWSA-N 1 1 377.554 2.635 40 0 GFABMO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NC(=O)c1ccccc1Cl ZINC000067068598 222140276 /nfs/dbraw/zinc/14/02/76/222140276.db2.gz GHAOQNQBHLHWNJ-UHFFFAOYSA-N 1 1 387.867 2.989 40 0 GFABMO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC000072376835 222245162 /nfs/dbraw/zinc/24/51/62/222245162.db2.gz GDWCUFXIFMFYGE-IBGZPJMESA-N 1 1 395.507 2.884 40 0 GFABMO COc1cccc(-c2cnc(N)nc2[C@@H]2CCCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC000072376835 222245165 /nfs/dbraw/zinc/24/51/65/222245165.db2.gz GDWCUFXIFMFYGE-IBGZPJMESA-N 1 1 395.507 2.884 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC000096215456 222399010 /nfs/dbraw/zinc/39/90/10/222399010.db2.gz VFMBDJKUQKPSSF-OAQYLSRUSA-N 1 1 392.565 2.898 40 0 GFABMO NCC1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218472690 553053787 /nfs/dbraw/zinc/05/37/87/553053787.db2.gz CFXYNICRUQHKIL-JKSUJKDBSA-N 1 1 385.316 2.837 40 0 GFABMO CC(C)CC[NH2+]C[C@H]1O[C@H](Cc2cc(CN3CCCCC3)on2)CC[C@@H]1O ZINC000096296050 560060492 /nfs/dbraw/zinc/06/04/92/560060492.db2.gz ANGOZRYREDMATQ-SESVDKBCSA-N 1 1 379.545 2.747 40 0 biogenic,in-vitro GFABMO O=C(NC[C@H]1CCCO1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684073 570209938 /nfs/dbraw/zinc/20/99/38/570209938.db2.gz MDSGHLNYESINKW-HSZRJFAPSA-N 1 1 393.531 2.913 40 0 GFABMO CCn1c2ccc(-c3cncn3[C@@H](C)C[NH+]3CCOCC3)cc2n(CC)c1=O ZINC000019719640 570210472 /nfs/dbraw/zinc/21/04/72/570210472.db2.gz BELQRQVEGHQADC-INIZCTEOSA-N 1 1 383.496 2.600 40 0 GFABMO Cc1cc(N2CCO[C@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019759394 570216626 /nfs/dbraw/zinc/21/66/26/570216626.db2.gz MEEVJMUMOCTRML-FQEVSTJZSA-N 1 1 391.475 2.921 40 0 GFABMO COCC[N@@H+](C)C[C@@H]1CO[C@@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000096228483 570221313 /nfs/dbraw/zinc/22/13/13/570221313.db2.gz WIIGKHDZGCHYPH-WZONZLPQSA-N 1 1 397.519 2.824 40 0 GFABMO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@H+]1Cc1ccc(-c2ccccc2)cc1 ZINC000585295342 570279572 /nfs/dbraw/zinc/27/95/72/570279572.db2.gz VYTKKVPUEXWWBD-FQUZAXHOSA-N 1 1 389.495 2.863 40 0 GFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)C1(c2ccccc2)CCOCC1 ZINC000032763778 570513874 /nfs/dbraw/zinc/51/38/74/570513874.db2.gz QSMJLHHGLGGSCY-UHFFFAOYSA-N 1 1 394.515 2.883 40 0 GFABMO COc1nc(C)c(CC(=O)N2CC[NH+]([C@@H](C)c3ccc(C)cc3)CC2)c(OC)n1 ZINC000036741147 570569504 /nfs/dbraw/zinc/56/95/04/570569504.db2.gz LQBKIXRPOBKPLS-KRWDZBQOSA-N 1 1 398.507 2.559 40 0 GFABMO CCO[C@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225724096 570609408 /nfs/dbraw/zinc/60/94/08/570609408.db2.gz HRPUWFNOHGNIDH-NRFANRHFSA-N 1 1 376.497 2.931 40 0 GFABMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000048066033 570655227 /nfs/dbraw/zinc/65/52/27/570655227.db2.gz FWILCURGPSGSGA-MAEFMKOSSA-N 1 1 389.496 2.882 40 0 GFABMO CCN1C(=O)C[C@@H](C(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccccc1Cl ZINC000257245188 570769593 /nfs/dbraw/zinc/76/95/93/570769593.db2.gz IOKZBCYKYKXHLG-APWZRJJASA-N 1 1 388.899 2.961 40 0 GFABMO CCc1ccc([C@H]2C[N@@H+](CC(N)=O)[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]32)cc1 ZINC000257256063 570771087 /nfs/dbraw/zinc/77/10/87/570771087.db2.gz KJYDSFRAYQKPLN-GUDVDZBRSA-N 1 1 387.524 2.759 40 0 GFABMO CCc1[nH+]ccn1CC(=O)N1CCC2(C[C@@H](N(C)c3ccccc3)CO2)CC1 ZINC000257276813 570774428 /nfs/dbraw/zinc/77/44/28/570774428.db2.gz NVFQSNCWWXFRLV-LJQANCHMSA-N 1 1 382.508 2.732 40 0 GFABMO CCN(CC)C(=O)C[N@@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257295785 570777428 /nfs/dbraw/zinc/77/74/28/570777428.db2.gz QZVURGQJDQCLAE-CQSZACIVSA-N 1 1 388.537 2.656 40 0 GFABMO CCN(CC)C(=O)C[N@H+]1CC[C@@H](c2c3cccnc3sc2C(=O)N(C)C)C1 ZINC000257295785 570777430 /nfs/dbraw/zinc/77/74/30/570777430.db2.gz QZVURGQJDQCLAE-CQSZACIVSA-N 1 1 388.537 2.656 40 0 GFABMO CCn1c(C)nc2cc(C(=O)N[C@@H]3CCC[C@@H](n4cc[nH+]c4C)[C@@H]3O)ccc21 ZINC000257327906 570782359 /nfs/dbraw/zinc/78/23/59/570782359.db2.gz XDGUVSWPEGMUIO-NSISKUIASA-N 1 1 381.480 2.754 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H]4CO)C3)CC2)cc1F ZINC000585104900 570934083 /nfs/dbraw/zinc/93/40/83/570934083.db2.gz WJZJLGLGULKKHW-RBUKOAKNSA-N 1 1 390.499 2.602 40 0 GFABMO Cc1cccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)c1 ZINC000585106010 570935325 /nfs/dbraw/zinc/93/53/25/570935325.db2.gz CYHRHOGHIHCPIF-UXHICEINSA-N 1 1 383.536 2.694 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306126738 570937258 /nfs/dbraw/zinc/93/72/58/570937258.db2.gz FDTMVAHGIMXNTE-HZPDHXFCSA-N 1 1 379.489 2.896 40 0 GFABMO Cn1cc(C[N@H+]2CC[C@]3(CN(C(=O)c4ccsc4)c4cccnc43)C2)cn1 ZINC000306128767 570937953 /nfs/dbraw/zinc/93/79/53/570937953.db2.gz HJYNDDQNTHWOHR-HXUWFJFHSA-N 1 1 379.489 2.681 40 0 GFABMO CC[C@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140877 570942028 /nfs/dbraw/zinc/94/20/28/570942028.db2.gz GJZNKHMRMNWGSN-OAQYLSRUSA-N 1 1 376.508 2.990 40 0 GFABMO COc1cc(N2C[C@@H]3O[C@@H](C[C@@]34CCC[N@@H+](Cc3ccccc3)C4)C2)ncn1 ZINC000306141296 570945340 /nfs/dbraw/zinc/94/53/40/570945340.db2.gz VQYADFUYIFNJKM-CNNODRBYSA-N 1 1 380.492 2.745 40 0 GFABMO COc1cc2c(cc1C[N@@H+]1C[C@H]3[C@H](CC[C@]3(O)c3ccc(C)cn3)C1)OCCO2 ZINC000019216114 570961836 /nfs/dbraw/zinc/96/18/36/570961836.db2.gz PXSMMJDJQHYACJ-WLENULPWSA-N 1 1 396.487 2.899 40 0 GFABMO Cc1nc2cc(C)ccn2c1C[N@@H+]1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019238148 570967877 /nfs/dbraw/zinc/96/78/77/570967877.db2.gz MPMLAWIELQOYHS-XXBNENTESA-N 1 1 388.471 2.768 40 0 GFABMO Cc1nc2cc(C)ccn2c1C[N@H+]1C[C@H]2NC(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000019238148 570967880 /nfs/dbraw/zinc/96/78/80/570967880.db2.gz MPMLAWIELQOYHS-XXBNENTESA-N 1 1 388.471 2.768 40 0 GFABMO O=C(N[C@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400501 570982533 /nfs/dbraw/zinc/98/25/33/570982533.db2.gz KURHUPKLZRHODK-UEXGIBASSA-N 1 1 380.492 2.696 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448289 570984593 /nfs/dbraw/zinc/98/45/93/570984593.db2.gz GBECETCYTDXDQS-SFHVURJKSA-N 1 1 384.455 2.653 40 0 GFABMO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccncc1)C2 ZINC000019501410 570992915 /nfs/dbraw/zinc/99/29/15/570992915.db2.gz UURIZTSXASSXMM-LJQANCHMSA-N 1 1 395.507 2.989 40 0 GFABMO CCCC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccncc1)C2 ZINC000019501410 570992919 /nfs/dbraw/zinc/99/29/19/570992919.db2.gz UURIZTSXASSXMM-LJQANCHMSA-N 1 1 395.507 2.989 40 0 GFABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000585172762 570997871 /nfs/dbraw/zinc/99/78/71/570997871.db2.gz JYMUQQWBQXQDEW-OAQYLSRUSA-N 1 1 393.531 2.942 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 ZINC000019552338 571001550 /nfs/dbraw/zinc/00/15/50/571001550.db2.gz VYGBZDQBRCOQDH-INIZCTEOSA-N 1 1 394.479 2.665 40 0 GFABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 ZINC000019575302 571011583 /nfs/dbraw/zinc/01/15/83/571011583.db2.gz SXYSQLFCCAYPMQ-LSTHTHJFSA-N 1 1 389.927 2.860 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H](CO)[C@]3(C2)CCc2ccccc2C(=O)N3)c(C)c1C ZINC000019577410 571012356 /nfs/dbraw/zinc/01/23/56/571012356.db2.gz YGJMDLKWHWSELD-GBXCKJPGSA-N 1 1 394.515 2.851 40 0 GFABMO CN(C)c1cccc(OCC(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)c1 ZINC000019709179 571033512 /nfs/dbraw/zinc/03/35/12/571033512.db2.gz TXOFFPTYHJLFOJ-OAQYLSRUSA-N 1 1 399.539 2.680 40 0 GFABMO COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)cc1F ZINC000019709175 571033578 /nfs/dbraw/zinc/03/35/78/571033578.db2.gz XLKJQRDZAVCHHN-IBGZPJMESA-N 1 1 388.487 2.926 40 0 GFABMO CNc1nc([C@@H]2CCC[N@@H+](CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711510 571035719 /nfs/dbraw/zinc/03/57/19/571035719.db2.gz DFVASYJEQXXESM-LJQANCHMSA-N 1 1 393.535 2.845 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(Cc4cccnc4)CCN3C(C)(C)C2)cc1 ZINC000253405012 212135849 /nfs/dbraw/zinc/13/58/49/212135849.db2.gz RQGYXMVYVFHGRI-NRFANRHFSA-N 1 1 380.536 2.871 40 0 biogenic,in-vitro GFABMO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCC[C@H]2CCCC[C@@H]21 ZINC000012145791 221159371 /nfs/dbraw/zinc/15/93/71/221159371.db2.gz LQVWFXMHUDNVNB-MJGOQNOKSA-N 1 1 397.519 2.782 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@H](Cn3nnc(-c4cccnc4)n3)C2)c(OC)c1 ZINC000012328288 221183166 /nfs/dbraw/zinc/18/31/66/221183166.db2.gz CPEISBDULZCQQH-INIZCTEOSA-N 1 1 394.479 2.665 40 0 GFABMO O=C(C1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCC2)C3)C1 ZINC000019014522 221394364 /nfs/dbraw/zinc/39/43/64/221394364.db2.gz NOFBMCPUYPLBQD-MRXNPFEDSA-N 1 1 384.524 2.989 40 0 GFABMO COc1ccccc1-c1nccnc1[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000072358552 222238946 /nfs/dbraw/zinc/23/89/46/222238946.db2.gz MSYPPIPIPJLPSQ-KRWDZBQOSA-N 1 1 380.492 2.954 40 0 GFABMO COc1cccc(-c2cncc([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)n2)c1 ZINC000072359390 222239868 /nfs/dbraw/zinc/23/98/68/222239868.db2.gz DWCPWWBYZPUUOW-SFHVURJKSA-N 1 1 380.492 2.954 40 0 GFABMO Cc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 ZINC000096225906 222399737 /nfs/dbraw/zinc/39/97/37/222399737.db2.gz GQDBQXMRFVBMIN-QFIPXVFZSA-N 1 1 378.476 2.769 40 0 GFABMO CC(=O)Nc1ccc(C[N@@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cc1 ZINC000077266664 560046478 /nfs/dbraw/zinc/04/64/78/560046478.db2.gz SDNOAKDJBXXYAF-OAQYLSRUSA-N 1 1 396.466 2.906 40 0 biogenic,in-vitro GFABMO CC(=O)Nc1ccc(C[N@H+]2CCN3C(=O)N(Cc4ccc(F)cc4)C[C@H]3C2)cc1 ZINC000077266664 560046481 /nfs/dbraw/zinc/04/64/81/560046481.db2.gz SDNOAKDJBXXYAF-OAQYLSRUSA-N 1 1 396.466 2.906 40 0 biogenic,in-vitro GFABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)COc2ccccc2)ccc1OC ZINC000585262527 570230641 /nfs/dbraw/zinc/23/06/41/570230641.db2.gz MBUOBDRCXHCINE-GOSISDBHSA-N 1 1 375.465 2.592 40 0 GFABMO OC1(C[N@H+]2CCOC[C@@](O)(COc3ccc(Cl)cc3)C2)CCCCCC1 ZINC000585282002 570249655 /nfs/dbraw/zinc/24/96/55/570249655.db2.gz FDMAALIPXFJPJQ-HXUWFJFHSA-N 1 1 383.916 2.867 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccccc2N(C)S(C)(=O)=O)cc1 ZINC000020490476 570262693 /nfs/dbraw/zinc/26/26/93/570262693.db2.gz VYGOOESEEUZVOL-UHFFFAOYSA-N 1 1 398.488 2.507 40 0 GFABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)COC1CCCCC1 ZINC000257336215 570487180 /nfs/dbraw/zinc/48/71/80/570487180.db2.gz YNOTWEWSPUEKDE-OAQYLSRUSA-N 1 1 376.541 2.661 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741337 570528224 /nfs/dbraw/zinc/52/82/24/570528224.db2.gz ORKQYHWPAMSUTR-QGZVFWFLSA-N 1 1 384.476 2.611 40 0 GFABMO CC(C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)N[C@H](C)c1ccccc1 ZINC000035855761 570558221 /nfs/dbraw/zinc/55/82/21/570558221.db2.gz CMYPWYFYCZTSCH-TYCQWZJGSA-N 1 1 379.504 2.719 40 0 GFABMO Cc1cccc(C)c1OCC(=O)Nc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000056299126 570699708 /nfs/dbraw/zinc/69/97/08/570699708.db2.gz MNTPXGKUAMJLOO-UHFFFAOYSA-N 1 1 381.476 2.709 40 0 GFABMO CC(C)(C)OC(=O)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CCc1cc(=O)[nH][nH]1 ZINC000257229819 570765097 /nfs/dbraw/zinc/76/50/97/570765097.db2.gz FZOURPBTRQSOJG-AEFFLSMTSA-N 1 1 386.496 2.661 40 0 GFABMO Cc1nn(C)cc1-c1cc(C(=O)N2C[C@@H]3C[C@@]4(C)[C@H](CCCC[C@@H]24)[N@H+]3C)on1 ZINC000257291062 570776571 /nfs/dbraw/zinc/77/65/71/570776571.db2.gz QFLCDGGENODTNF-CWWINAKGSA-N 1 1 383.496 2.861 40 0 GFABMO CCc1[nH+]ccn1CC(=O)N1CCC[C@]2(C[C@@H](Oc3ccc(F)cc3)CO2)C1 ZINC000257312543 570779988 /nfs/dbraw/zinc/77/99/88/570779988.db2.gz UOLHPWKTDXFYES-NQIIRXRSSA-N 1 1 387.455 2.814 40 0 GFABMO CCn1cc(NC(=O)CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@H+]3C)c(C)n1 ZINC000257334017 570783480 /nfs/dbraw/zinc/78/34/80/570783480.db2.gz YEEATEMIBWRYIV-SFHLNBCPSA-N 1 1 381.524 2.570 40 0 GFABMO O=C(NC1CC(F)(F)C1)C1=NO[C@@]2(C1)CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000585101205 570926362 /nfs/dbraw/zinc/92/63/62/570926362.db2.gz NOJPWNCKMUTBBF-OAHLLOKOSA-N 1 1 377.382 2.557 40 0 GFABMO CC(C)N1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104948 570934030 /nfs/dbraw/zinc/93/40/30/570934030.db2.gz WMCFPNXXWXNOBH-FQEVSTJZSA-N 1 1 386.521 2.664 40 0 GFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106044 570935807 /nfs/dbraw/zinc/93/58/07/570935807.db2.gz HFYLIDTYZYMKKR-AHRSYUTCSA-N 1 1 383.536 2.694 40 0 GFABMO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccc(F)cc5)CC4)nccn23)cn1 ZINC000306123221 570935764 /nfs/dbraw/zinc/93/57/64/570935764.db2.gz AHOUQPVFXGNYEN-UHFFFAOYSA-N 1 1 391.454 2.591 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306127480 570937376 /nfs/dbraw/zinc/93/73/76/570937376.db2.gz FZJOCWJMLGQDAJ-MSOLQXFVSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306127480 570937377 /nfs/dbraw/zinc/93/73/77/570937377.db2.gz FZJOCWJMLGQDAJ-MSOLQXFVSA-N 1 1 379.489 2.730 40 0 GFABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1cccs1)C[C@H]2c1cccnc1 ZINC000306128072 570937874 /nfs/dbraw/zinc/93/78/74/570937874.db2.gz GPHRUCIVJDEBJQ-PZJWPPBQSA-N 1 1 383.517 2.750 40 0 GFABMO CCNC(=O)N[C@H]1CCCC[C@]12C[N@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134132 570941344 /nfs/dbraw/zinc/94/13/44/570941344.db2.gz NEBFHRAJPYSJBH-FPOVZHCZSA-N 1 1 391.512 2.624 40 0 GFABMO CCNC(=O)N[C@H]1CCCC[C@]12C[N@@H+](Cc1ccc(O)c(OCC)c1)CCO2 ZINC000306134132 570941347 /nfs/dbraw/zinc/94/13/47/570941347.db2.gz NEBFHRAJPYSJBH-FPOVZHCZSA-N 1 1 391.512 2.624 40 0 GFABMO Cc1ccc(CC(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019209592 570959944 /nfs/dbraw/zinc/95/99/44/570959944.db2.gz KRHZZUDSAKQNSB-HXUWFJFHSA-N 1 1 394.519 2.751 40 0 GFABMO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019210867 570960446 /nfs/dbraw/zinc/96/04/46/570960446.db2.gz PVFLDTCQRHDXHJ-ROUUACIJSA-N 1 1 394.519 2.946 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N[C@H]1C[C@@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019288060 570970571 /nfs/dbraw/zinc/97/05/71/570970571.db2.gz AVLWEOOUUBKIGO-AVRDEDQJSA-N 1 1 396.491 2.603 40 0 GFABMO COCc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000019291344 570972420 /nfs/dbraw/zinc/97/24/20/570972420.db2.gz GNVPQGISOHOAQN-NRFANRHFSA-N 1 1 396.491 2.563 40 0 GFABMO c1cncc(Oc2nc(N3CCCC3)nc3c2CC[N@H+](C[C@H]2CCOC2)C3)c1 ZINC000019339878 570976959 /nfs/dbraw/zinc/97/69/59/570976959.db2.gz XEQZSDFANIGZFY-MRXNPFEDSA-N 1 1 381.480 2.659 40 0 GFABMO O=S(=O)(Cc1ccccc1Cl)N1C[C@H]2CCC[C@@H](C1)C2[NH+]1CCOCC1 ZINC000019349618 570978631 /nfs/dbraw/zinc/97/86/31/570978631.db2.gz YYVLPOFYQQLLFM-MCPYQZEQSA-N 1 1 398.956 2.603 40 0 GFABMO C[C@H]1Cc2cc(C(=O)N3CCC(c4ncc5c(n4)CC[N@H+](C)C5)CC3)ccc2O1 ZINC000019497910 570990440 /nfs/dbraw/zinc/99/04/40/570990440.db2.gz JLHNUKNEMNNPFG-HNNXBMFYSA-N 1 1 392.503 2.808 40 0 GFABMO C[C@@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)ccc2O1 ZINC000019497927 570990569 /nfs/dbraw/zinc/99/05/69/570990569.db2.gz SHPAOOXBTXFXTM-WBVHZDCISA-N 1 1 392.503 2.808 40 0 GFABMO CCc1noc(CC)c1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019521323 570994514 /nfs/dbraw/zinc/99/45/14/570994514.db2.gz JKIPURJEPMHZFL-AWEZNQCLSA-N 1 1 383.496 2.597 40 0 GFABMO CCCCNC(=O)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264310 570997000 /nfs/dbraw/zinc/99/70/00/570997000.db2.gz HCEAKIKVACDQQZ-WTNAPCKOSA-N 1 1 390.524 2.985 40 0 GFABMO CCCCNC(=O)C[N@H+]1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(O)c(OC)c1 ZINC000006264310 570997002 /nfs/dbraw/zinc/99/70/02/570997002.db2.gz HCEAKIKVACDQQZ-WTNAPCKOSA-N 1 1 390.524 2.985 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)n1 ZINC000019572731 571010814 /nfs/dbraw/zinc/01/08/14/571010814.db2.gz WKWUZCRYGOZGCC-QGZVFWFLSA-N 1 1 396.539 2.635 40 0 GFABMO COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c(OC)c1 ZINC000019590474 571018183 /nfs/dbraw/zinc/01/81/83/571018183.db2.gz AVZUHSNKJCQCFY-QGZVFWFLSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(CN2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(OC)c1 ZINC000019590474 571018184 /nfs/dbraw/zinc/01/81/84/571018184.db2.gz AVZUHSNKJCQCFY-QGZVFWFLSA-N 1 1 382.508 2.861 40 0 GFABMO COCCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019593308 571019720 /nfs/dbraw/zinc/01/97/20/571019720.db2.gz NFULLNIMVQLMOE-NHCUHLMSSA-N 1 1 398.478 2.909 40 0 GFABMO Cc1nc2cc(NC(=O)[C@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019663703 571026911 /nfs/dbraw/zinc/02/69/11/571026911.db2.gz HWHIFHBWVXLIAC-INIZCTEOSA-N 1 1 397.523 2.986 40 0 GFABMO C[C@@]1(CO)C[N@@H+](Cc2ccccc2)C[C@@H]2CN(Cc3ccc(F)cc3)CCN21 ZINC000253395442 212136121 /nfs/dbraw/zinc/13/61/21/212136121.db2.gz BXHHKDAEPSDNFU-GOTSBHOMSA-N 1 1 383.511 2.579 40 0 biogenic,in-vitro GFABMO CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)cc1 ZINC000012124801 221156188 /nfs/dbraw/zinc/15/61/88/221156188.db2.gz JYLJCHOMKQFRHO-DKZVUGQWSA-N 1 1 399.491 2.622 40 0 GFABMO C[C@H](O)C[N@@H+](Cc1ccc(N2CCCC2=O)cc1)Cc1ccc2c(c1)OCO2 ZINC000012185771 221163698 /nfs/dbraw/zinc/16/36/98/221163698.db2.gz YWAQLHWCUUBRFF-INIZCTEOSA-N 1 1 382.460 2.925 40 0 GFABMO COc1ccccc1C[N@@H+]1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000019017127 221393391 /nfs/dbraw/zinc/39/33/91/221393391.db2.gz MDODELSHNBWIOQ-GOSISDBHSA-N 1 1 380.492 2.769 40 0 GFABMO COc1ccccc1C[N@H+]1CCc2nc([C@@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000019017127 221393396 /nfs/dbraw/zinc/39/33/96/221393396.db2.gz MDODELSHNBWIOQ-GOSISDBHSA-N 1 1 380.492 2.769 40 0 GFABMO O=C(C1CCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CC[N@H+](C2CCCCC2)C3)C1 ZINC000019014883 221393684 /nfs/dbraw/zinc/39/36/84/221393684.db2.gz XFNYGJLWEDYEGC-MRXNPFEDSA-N 1 1 384.524 2.989 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019079330 221394790 /nfs/dbraw/zinc/39/47/90/221394790.db2.gz PCLAPBBDRZLSPW-YJBOKZPZSA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C)ncc2C1 ZINC000019079330 221394793 /nfs/dbraw/zinc/39/47/93/221394793.db2.gz PCLAPBBDRZLSPW-YJBOKZPZSA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)[N@@H+]3CC(C)(C)CN2CCOCC2)cc1 ZINC000019084966 221396730 /nfs/dbraw/zinc/39/67/30/221396730.db2.gz ASVVRFZYHKXDGV-DETIRCLXSA-N 1 1 388.552 2.868 40 0 GFABMO O=C(C[NH+]1CCC(c2ccncc2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000072346589 136168819 /nfs/dbraw/zinc/16/88/19/136168819.db2.gz OJRZYZFGQJNQPU-UHFFFAOYSA-N 1 1 380.492 2.736 40 0 GFABMO CC(=O)Nc1ccc(C[NH2+]C2(Cc3cc(-c4ccccn4)on3)COC2)cc1 ZINC000067898281 222166670 /nfs/dbraw/zinc/16/66/70/222166670.db2.gz NJXGVTJTRFGXOE-UHFFFAOYSA-N 1 1 378.432 2.796 40 0 biogenic,in-vitro GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(-c4ccccn4)[nH]c(=O)c3C2)cc1 ZINC000072339884 222230299 /nfs/dbraw/zinc/23/02/99/222230299.db2.gz OOPTZVSOMIOHHP-UHFFFAOYSA-N 1 1 375.432 2.761 40 0 GFABMO COc1ccc(-c2cccc([C@@H]3CCC[N@@H+](CC(=O)N4CCOCC4)C3)n2)cc1 ZINC000072348722 222234936 /nfs/dbraw/zinc/23/49/36/222234936.db2.gz SKJUAHQDMMFGKC-LJQANCHMSA-N 1 1 395.503 2.795 40 0 GFABMO COc1cc2c(cc1CN1CCc3nnc([C@@H]4CCCC[NH2+]4)n3CC1)CCC2 ZINC000072372826 222242317 /nfs/dbraw/zinc/24/23/17/222242317.db2.gz CPDXJQCAHUAOFK-IBGZPJMESA-N 1 1 381.524 2.648 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](CCOc4ccccc4C)C3)ncc2C1 ZINC000072390878 222246630 /nfs/dbraw/zinc/24/66/30/222246630.db2.gz QKRVXISDZCIXKA-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO CC(C)[NH+]1CCN(C(=O)c2cc(-c3cnc(N(C)C)nc3)cn2CC2CC2)CC1 ZINC000096037661 222374305 /nfs/dbraw/zinc/37/43/05/222374305.db2.gz ONJGVSXOIKVTSA-UHFFFAOYSA-N 1 1 396.539 2.587 40 0 GFABMO CC(C)(Br)C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1 ZINC000225594923 553059668 /nfs/dbraw/zinc/05/96/68/553059668.db2.gz DAELLCGFOZTJON-UHFFFAOYSA-N 1 1 385.302 2.900 40 0 GFABMO COC[C@@]1([NH3+])[C@H](S(=O)(=O)c2ccccc2)[C@H]1c1ccc(Br)cc1 ZINC000242750293 553088128 /nfs/dbraw/zinc/08/81/28/553088128.db2.gz ZKJMIFCSCOFZLW-ZACQAIPSSA-N 1 1 396.306 2.733 40 0 GFABMO COC[C@H]1CCC[N@@H+]1Cc1nc(C2(O)CCN(C(=O)C(C)(C)C)CC2)cs1 ZINC000225467410 560043439 /nfs/dbraw/zinc/04/34/39/560043439.db2.gz XZLRXPQSOLBVLY-OAHLLOKOSA-N 1 1 395.569 2.610 40 0 biogenic,in-vitro GFABMO COC[C@H]1CCC[N@H+]1Cc1nc(C2(O)CCN(C(=O)C(C)(C)C)CC2)cs1 ZINC000225467410 560043440 /nfs/dbraw/zinc/04/34/40/560043440.db2.gz XZLRXPQSOLBVLY-OAHLLOKOSA-N 1 1 395.569 2.610 40 0 biogenic,in-vitro GFABMO CC(=O)N1CCC([N@H+]2CC[C@H](c3nnc(Cc4c[nH]c5ccccc45)o3)C2)CC1 ZINC000049169795 560084636 /nfs/dbraw/zinc/08/46/36/560084636.db2.gz UYJZGLNGFBOQGV-INIZCTEOSA-N 1 1 393.491 2.942 40 0 biogenic,in-vitro GFABMO COC(=O)c1ccc2c(c1)CCN(c1cc(NCCCO)nc(C(C)C)[nH+]1)C2 ZINC000329053294 570215332 /nfs/dbraw/zinc/21/53/32/570215332.db2.gz VFJNMXYTUWFNNK-UHFFFAOYSA-N 1 1 384.480 2.744 40 0 GFABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)cnn3c2C)CC1 ZINC000019817118 570221591 /nfs/dbraw/zinc/22/15/91/570221591.db2.gz ADLNQBMZVNJDQT-UHFFFAOYSA-N 1 1 384.871 2.531 40 0 GFABMO Cc1noc(C)c1C[N@H+]1CC[C@]2(C1)COCc1cnc(-c3cccnc3)nc12 ZINC000096244251 570223585 /nfs/dbraw/zinc/22/35/85/570223585.db2.gz POMVQNIOTSQTOU-NRFANRHFSA-N 1 1 377.448 2.817 40 0 GFABMO COc1ccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)cc1 ZINC000096261699 570226205 /nfs/dbraw/zinc/22/62/05/570226205.db2.gz UVDKEBGQYZCOSY-QMHWCDLVSA-N 1 1 375.472 2.852 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(N(C)S(C)(=O)=O)cc1 ZINC000216464887 570302082 /nfs/dbraw/zinc/30/20/82/570302082.db2.gz QMSRZCBCJFPGDH-UHFFFAOYSA-N 1 1 398.488 2.507 40 0 GFABMO [NH3+][C@@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1 ZINC000072227678 570318879 /nfs/dbraw/zinc/31/88/79/570318879.db2.gz JVUFMAVHLVFNIB-JKSUJKDBSA-N 1 1 375.222 2.636 40 0 GFABMO CSc1ccc(S(=O)(=O)NCCC[N@H+]2CCC[C@@H](C)C2)cc1NC(C)=O ZINC000222840264 570428503 /nfs/dbraw/zinc/42/85/03/570428503.db2.gz HPGYEOOSRPVAEM-CQSZACIVSA-N 1 1 399.582 2.767 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(CN3CCOCC3)cc2)cc1 ZINC000030850015 570498129 /nfs/dbraw/zinc/49/81/29/570498129.db2.gz LDEMNQCZOWOWRL-UHFFFAOYSA-N 1 1 390.487 2.943 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224574606 570519065 /nfs/dbraw/zinc/51/90/65/570519065.db2.gz OYQRUJQARRCWNX-QGZVFWFLSA-N 1 1 384.476 2.611 40 0 GFABMO Cc1ccc(CNC(=O)C[NH+]2CCC(NC(=O)c3ccccc3F)CC2)cc1 ZINC000004910153 570648270 /nfs/dbraw/zinc/64/82/70/570648270.db2.gz SEFHWHDUGVPYJA-UHFFFAOYSA-N 1 1 383.467 2.645 40 0 GFABMO Cc1nc2cc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)ccc2[nH]1 ZINC000257301673 570778563 /nfs/dbraw/zinc/77/85/63/570778563.db2.gz RZIVBYJMROAGOH-GPMSIDNRSA-N 1 1 390.491 2.801 40 0 GFABMO Cc1nc2ccc(NC(=O)C[N@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2[nH]1 ZINC000257301673 570778568 /nfs/dbraw/zinc/77/85/68/570778568.db2.gz RZIVBYJMROAGOH-GPMSIDNRSA-N 1 1 390.491 2.801 40 0 GFABMO Cc1nc2ccc(NC(=O)C[N@@H+]3C[C@@H]4[C@@H](Cc5cnccn5)CC[C@@H]4C3)cc2[nH]1 ZINC000257301673 570778572 /nfs/dbraw/zinc/77/85/72/570778572.db2.gz RZIVBYJMROAGOH-GPMSIDNRSA-N 1 1 390.491 2.801 40 0 GFABMO O=C(CN1CCOCC1)N1CCC[C@]2(CCC[N@@H+]2Cc2cccc(F)c2)CC1 ZINC000585100397 570924633 /nfs/dbraw/zinc/92/46/33/570924633.db2.gz MVBLOZIWSJYGGN-QFIPXVFZSA-N 1 1 389.515 2.505 40 0 GFABMO O=C(CN1C(=O)CC[C@@]12CCC[N@@H+](CCc1ccccc1)CC2)N1CCCC1 ZINC000585100748 570925786 /nfs/dbraw/zinc/92/57/86/570925786.db2.gz VKECTEMAAIOOBB-HSZRJFAPSA-N 1 1 383.536 2.699 40 0 GFABMO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1cccc(C)c1)C2 ZINC000585104373 570933147 /nfs/dbraw/zinc/93/31/47/570933147.db2.gz LFKLBIONHOBFNX-QFIPXVFZSA-N 1 1 383.492 2.851 40 0 GFABMO Cc1nc(C[NH+]2C[C@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@@H]3C2)cs1 ZINC000585107579 570935430 /nfs/dbraw/zinc/93/54/30/570935430.db2.gz HYFBRYJSSWIKEO-GJZGRUSLSA-N 1 1 377.460 2.863 40 0 GFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106118 570935928 /nfs/dbraw/zinc/93/59/28/570935928.db2.gz NTDLEVDQWJFQFF-OIISXLGYSA-N 1 1 389.565 2.755 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@]3(CCn4c3nnc(-c3ccccc3)c4=O)C2)cc1 ZINC000306129219 570938414 /nfs/dbraw/zinc/93/84/14/570938414.db2.gz HXUHJPOHYJCNCI-HSZRJFAPSA-N 1 1 388.471 2.861 40 0 GFABMO Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4cc(C)on4)[C@H]3C2)n(C)n1 ZINC000585109832 570938485 /nfs/dbraw/zinc/93/84/85/570938485.db2.gz YSWIUHLCLCLVMS-IRFCIJBXSA-N 1 1 391.475 2.725 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306128865 570938693 /nfs/dbraw/zinc/93/86/93/570938693.db2.gz HNAFCHVOAVCMTJ-FQEVSTJZSA-N 1 1 387.505 2.518 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306128865 570938697 /nfs/dbraw/zinc/93/86/97/570938697.db2.gz HNAFCHVOAVCMTJ-FQEVSTJZSA-N 1 1 387.505 2.518 40 0 GFABMO C[N@H+]1Cc2cccc(-c3n[nH]c4c3CCN(C(=O)C3CC(F)(F)C3)CC4)c2C1 ZINC000585110405 570938946 /nfs/dbraw/zinc/93/89/46/570938946.db2.gz QECQSTHBBBDJLI-UHFFFAOYSA-N 1 1 386.446 2.995 40 0 GFABMO Cn1cc(C[N@@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306136205 570942527 /nfs/dbraw/zinc/94/25/27/570942527.db2.gz PMPZXIRADOXDEA-NRFANRHFSA-N 1 1 387.491 2.619 40 0 GFABMO Cn1cc(C[N@H+]2CCN(C)[C@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306136205 570942528 /nfs/dbraw/zinc/94/25/28/570942528.db2.gz PMPZXIRADOXDEA-NRFANRHFSA-N 1 1 387.491 2.619 40 0 GFABMO Cc1nc2cc(C(=O)N3CCc4nc([C@H]5CCC[N@@H+]5C)ncc4C3)ccc2n1C ZINC000019286528 570969644 /nfs/dbraw/zinc/96/96/44/570969644.db2.gz XEBGMGRZDZQKCB-HXUWFJFHSA-N 1 1 390.491 2.637 40 0 GFABMO Cc1nc2cc(C(=O)N3CCc4nc([C@H]5CCC[N@H+]5C)ncc4C3)ccc2n1C ZINC000019286528 570969645 /nfs/dbraw/zinc/96/96/45/570969645.db2.gz XEBGMGRZDZQKCB-HXUWFJFHSA-N 1 1 390.491 2.637 40 0 GFABMO Cc1[nH+]ccn1Cc1ccccc1C(=O)Nc1ccc2c(c1)N(C)C(=O)CO2 ZINC000019288248 570970468 /nfs/dbraw/zinc/97/04/68/570970468.db2.gz IUTNCWIIMDKWKK-UHFFFAOYSA-N 1 1 376.416 2.847 40 0 GFABMO C=Cn1cc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584196 571014773 /nfs/dbraw/zinc/01/47/73/571014773.db2.gz KSLFRXOFQUKVQL-QGZVFWFLSA-N 1 1 382.512 2.745 40 0 GFABMO C[N@H+]1CC[C@H](c2nn(CCNC(=O)CCc3ccccc3F)c3ncccc23)C1 ZINC000019587904 571015611 /nfs/dbraw/zinc/01/56/11/571015611.db2.gz BMAKGQJUFCIKLX-KRWDZBQOSA-N 1 1 395.482 2.739 40 0 GFABMO CN(C)c1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019590445 571017958 /nfs/dbraw/zinc/01/79/58/571017958.db2.gz PNIGIWVIUSZDFU-KRWDZBQOSA-N 1 1 379.508 2.550 40 0 GFABMO Nc1ncc(-c2ccc([C@@H]3CCC[N@H+](CC(=O)NC4CCCCC4)C3)nc2)cn1 ZINC000019688605 571028700 /nfs/dbraw/zinc/02/87/00/571028700.db2.gz AABKYHKGNYSDMO-QGZVFWFLSA-N 1 1 394.523 2.749 40 0 GFABMO Nc1ncc(-c2ccc([C@@H]3CCC[N@@H+](CC(=O)NC4CCCCC4)C3)nc2)cn1 ZINC000019688605 571028702 /nfs/dbraw/zinc/02/87/02/571028702.db2.gz AABKYHKGNYSDMO-QGZVFWFLSA-N 1 1 394.523 2.749 40 0 GFABMO Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)o1 ZINC000019698320 571031050 /nfs/dbraw/zinc/03/10/50/571031050.db2.gz NUTGYNWMGSJTSF-LJQANCHMSA-N 1 1 383.496 2.724 40 0 GFABMO COCCC(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@H+](Cc2ccc(F)cc2)C1 ZINC000020503579 575370035 /nfs/dbraw/zinc/37/00/35/575370035.db2.gz CFHJNLGARGDGIY-DLBZAZTESA-N 1 1 399.466 2.582 40 0 biogenic,in-vitro GFABMO CC[C@@H]1C[N@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@H]1/C(=C/OC)C(=O)OC ZINC000254704036 212137702 /nfs/dbraw/zinc/13/77/02/212137702.db2.gz DAXYUDFNWXHGBE-GMEDPQTISA-N 1 1 384.476 2.700 40 0 GFABMO COc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(OC)c1 ZINC000012121962 221154726 /nfs/dbraw/zinc/15/47/26/221154726.db2.gz KDSNBEBKXBOZEM-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c(OC)c1 ZINC000012121962 221154729 /nfs/dbraw/zinc/15/47/29/221154729.db2.gz KDSNBEBKXBOZEM-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1ccccc1/C=C\C[N@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365921 221185568 /nfs/dbraw/zinc/18/55/68/221185568.db2.gz QLPVJGLMQLAYKJ-SUZKBHRPSA-N 1 1 396.491 2.530 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018617 221394021 /nfs/dbraw/zinc/39/40/21/221394021.db2.gz RGOQMNUXEJWEHK-HXUWFJFHSA-N 1 1 384.455 2.736 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018617 221394022 /nfs/dbraw/zinc/39/40/22/221394022.db2.gz RGOQMNUXEJWEHK-HXUWFJFHSA-N 1 1 384.455 2.736 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019078787 221394962 /nfs/dbraw/zinc/39/49/62/221394962.db2.gz BJYDGOBOSGTUJJ-FOIQADDNSA-N 1 1 396.491 2.604 40 0 GFABMO CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019020021 221395646 /nfs/dbraw/zinc/39/56/46/221395646.db2.gz CNFHZOOCOZCMJO-LEWJYISDSA-N 1 1 383.467 2.908 40 0 GFABMO CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019020021 221395650 /nfs/dbraw/zinc/39/56/50/221395650.db2.gz CNFHZOOCOZCMJO-LEWJYISDSA-N 1 1 383.467 2.908 40 0 GFABMO Cc1[nH+]ccn1-c1nccnc1[C@H]1CCCN(C(=O)COc2ccccc2)C1 ZINC000072350593 222237174 /nfs/dbraw/zinc/23/71/74/222237174.db2.gz KRWQRMIMILQZKV-KRWDZBQOSA-N 1 1 377.448 2.756 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000072374035 222242827 /nfs/dbraw/zinc/24/28/27/222242827.db2.gz LYBVMZOCDOOUGP-LJQANCHMSA-N 1 1 392.507 2.891 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1OC ZINC000072395809 222251628 /nfs/dbraw/zinc/25/16/28/222251628.db2.gz DOMFUIHPIUZHIJ-XXBNENTESA-N 1 1 394.471 2.863 40 0 GFABMO COc1cccc(C[N@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c1OC ZINC000072395809 222251633 /nfs/dbraw/zinc/25/16/33/222251633.db2.gz DOMFUIHPIUZHIJ-XXBNENTESA-N 1 1 394.471 2.863 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2nnc(Cc3ccc(CC)cc3)o2)CC1 ZINC000020197192 570247080 /nfs/dbraw/zinc/24/70/80/570247080.db2.gz UVSHXDFYVXHBCG-UHFFFAOYSA-N 1 1 388.537 2.869 40 0 GFABMO CC[N@H+]1CC[C@@H]2Oc3ccccc3S(=O)(=O)N(Cc3cccnc3)[C@H]2CC1 ZINC000107184827 570308748 /nfs/dbraw/zinc/30/87/48/570308748.db2.gz NSASWCPTVHBOFQ-ROUUACIJSA-N 1 1 387.505 2.518 40 0 GFABMO c1cc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)n([C@H]2CCCCO2)n1 ZINC000036740089 570568425 /nfs/dbraw/zinc/56/84/25/570568425.db2.gz MJCHKRVRGOQBQW-JOCHJYFZSA-N 1 1 399.539 2.702 40 0 GFABMO C[C@H]1CCCC[N@H+]1Cc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 ZINC000004907532 570647490 /nfs/dbraw/zinc/64/74/90/570647490.db2.gz OMFCOUGPUWOOPU-INIZCTEOSA-N 1 1 394.479 2.624 40 0 GFABMO C=C1[NH+]=C(SCC(=O)OC)N[C@@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991316 570690251 /nfs/dbraw/zinc/69/02/51/570690251.db2.gz QDRQAFNYFBOOES-KRWDZBQOSA-N 1 1 392.477 2.829 40 0 GFABMO C[NH+]1CCN(C(=O)c2ccc(NC(=O)COc3ccccc3Cl)cc2)CC1 ZINC000056290988 570699630 /nfs/dbraw/zinc/69/96/30/570699630.db2.gz SIIFJYYBICHWQI-UHFFFAOYSA-N 1 1 387.867 2.745 40 0 GFABMO COc1cc2c(cc1C[N@H+]1CCC[C@H](c3n[nH]cc3C(=O)N(C)C)C1)CCC2 ZINC000257231725 570765726 /nfs/dbraw/zinc/76/57/26/570765726.db2.gz GHYKYRUFJOMNJK-KRWDZBQOSA-N 1 1 382.508 2.988 40 0 GFABMO Cc1ncsc1C[N@@H+]1CCC[C@@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257242407 570768377 /nfs/dbraw/zinc/76/83/77/570768377.db2.gz ICIHNJVDWPGWFF-CQSZACIVSA-N 1 1 384.509 2.576 40 0 GFABMO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[C@H]2CCC[N@@H+]2C)c1 ZINC000257266986 570772412 /nfs/dbraw/zinc/77/24/12/570772412.db2.gz MFKHWHYVIUGXPA-LJQANCHMSA-N 1 1 380.492 2.599 40 0 GFABMO Cc1ncsc1C[N@H+]1CCCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000257296560 570777495 /nfs/dbraw/zinc/77/74/95/570777495.db2.gz RDIMPDZYBJJEOC-HNNXBMFYSA-N 1 1 384.509 2.923 40 0 GFABMO Cc1ncsc1C[N@@H+]1CCCC[C@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000257296560 570777500 /nfs/dbraw/zinc/77/75/00/570777500.db2.gz RDIMPDZYBJJEOC-HNNXBMFYSA-N 1 1 384.509 2.923 40 0 GFABMO O=C(CN1C(=O)CC[C@]12CCC[N@@H+](CCc1ccccc1)CC2)N1CCCC1 ZINC000585100749 570925836 /nfs/dbraw/zinc/92/58/36/570925836.db2.gz VKECTEMAAIOOBB-QHCPKHFHSA-N 1 1 383.536 2.699 40 0 GFABMO CCN(CC)C(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585102012 570928153 /nfs/dbraw/zinc/92/81/53/570928153.db2.gz XXIYHRQGRCHKTR-NRFANRHFSA-N 1 1 396.535 2.969 40 0 GFABMO COc1ccc(C[N@H+]2CCOC[C@@]3(CC(=O)N(Cc4ccccc4)C3)C2)cc1 ZINC000585103328 570932000 /nfs/dbraw/zinc/93/20/00/570932000.db2.gz BFSFJWLLXRWMTC-QHCPKHFHSA-N 1 1 380.488 2.946 40 0 GFABMO Cc1nc(C[NH+]2C[C@@H]3CN(C(=O)Cc4cccc(F)c4F)C[C@H]3C2)cs1 ZINC000585107580 570935457 /nfs/dbraw/zinc/93/54/57/570935457.db2.gz HYFBRYJSSWIKEO-HUUCEWRRSA-N 1 1 377.460 2.863 40 0 GFABMO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5ccsc5)CC4)nccn23)cn1 ZINC000306128218 570938007 /nfs/dbraw/zinc/93/80/07/570938007.db2.gz GUORZSXWJBFYOI-UHFFFAOYSA-N 1 1 379.493 2.514 40 0 GFABMO Cn1cc(-c2cnc3c(N4CC[NH+](Cc5cccs5)CC4)nccn23)cn1 ZINC000306130066 570938884 /nfs/dbraw/zinc/93/88/84/570938884.db2.gz IVONEGSKZVEMGS-UHFFFAOYSA-N 1 1 379.493 2.514 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(F)c3)C[C@@H]1C2 ZINC000306131050 570939427 /nfs/dbraw/zinc/93/94/27/570939427.db2.gz JVIAUTCSXBNKOV-DLBZAZTESA-N 1 1 391.450 2.974 40 0 GFABMO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019210865 570960626 /nfs/dbraw/zinc/96/06/26/570960626.db2.gz PVFLDTCQRHDXHJ-MSOLQXFVSA-N 1 1 394.519 2.946 40 0 GFABMO O=C(C[NH+]1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1)NC1CCCC1 ZINC000019346013 570978251 /nfs/dbraw/zinc/97/82/51/570978251.db2.gz CWOXYCGCMSGGJJ-UHFFFAOYSA-N 1 1 377.872 2.944 40 0 GFABMO C[C@H]1CCc2onc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)c2C1 ZINC000019497124 570989890 /nfs/dbraw/zinc/98/98/90/570989890.db2.gz IDEOWRDIRPUADZ-SUMWQHHRSA-N 1 1 381.480 2.555 40 0 GFABMO Cc1nn(CCC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019557103 571003858 /nfs/dbraw/zinc/00/38/58/571003858.db2.gz SALMJRJVUCBAFB-FQEVSTJZSA-N 1 1 396.539 2.730 40 0 GFABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019576040 571011679 /nfs/dbraw/zinc/01/16/79/571011679.db2.gz XHCALFYQEZPZDG-DFQSSKMNSA-N 1 1 376.504 2.724 40 0 GFABMO COc1cccc(C[N@@H+]2CCN(CC(=O)N3CCc4ccccc43)[C@@H](C)C2)c1 ZINC000019575645 571011844 /nfs/dbraw/zinc/01/18/44/571011844.db2.gz MRSYXRKXQQPMJD-SFHVURJKSA-N 1 1 379.504 2.791 40 0 GFABMO COc1cccc(C[N@H+]2CCN(CC(=O)N3CCc4ccccc43)[C@@H](C)C2)c1 ZINC000019575645 571011846 /nfs/dbraw/zinc/01/18/46/571011846.db2.gz MRSYXRKXQQPMJD-SFHVURJKSA-N 1 1 379.504 2.791 40 0 GFABMO CN(C)C(=O)[C@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](CC2CC2)CCO1 ZINC000019580866 571013036 /nfs/dbraw/zinc/01/30/36/571013036.db2.gz SQISVCFNYPDJMM-QHCPKHFHSA-N 1 1 379.504 2.860 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCN3S(=O)(=O)c3ccc(Cl)cc3)ncc2C1 ZINC000019590584 571018020 /nfs/dbraw/zinc/01/80/20/571018020.db2.gz KYIFJTRQWKKSOH-KRWDZBQOSA-N 1 1 392.912 2.644 40 0 GFABMO COCCOc1cccc(C[N@H+]2CC[C@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000019593781 571020368 /nfs/dbraw/zinc/02/03/68/571020368.db2.gz WWVOHEWPHSGFPZ-INIZCTEOSA-N 1 1 381.436 2.541 40 0 GFABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 ZINC000019706531 571032421 /nfs/dbraw/zinc/03/24/21/571032421.db2.gz WIJYCECJBYZUHR-IBGZPJMESA-N 1 1 399.583 2.995 40 0 GFABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 ZINC000019706531 571032422 /nfs/dbraw/zinc/03/24/22/571032422.db2.gz WIJYCECJBYZUHR-IBGZPJMESA-N 1 1 399.583 2.995 40 0 GFABMO CC(=O)N1CCCC[C@H]1c1nc2c(c(NCCc3ccccn3)n1)CC[N@@H+](C)C2 ZINC000019708653 571033106 /nfs/dbraw/zinc/03/31/06/571033106.db2.gz KPZLGLYORJWFNB-FQEVSTJZSA-N 1 1 394.523 2.588 40 0 GFABMO CC(=O)N1CCCC[C@H]1c1nc2c(c(NCCc3ccccn3)n1)CC[N@H+](C)C2 ZINC000019708653 571033108 /nfs/dbraw/zinc/03/31/08/571033108.db2.gz KPZLGLYORJWFNB-FQEVSTJZSA-N 1 1 394.523 2.588 40 0 GFABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 ZINC000019711112 571035174 /nfs/dbraw/zinc/03/51/74/571035174.db2.gz MPOJNVWXALYWME-KRWDZBQOSA-N 1 1 392.507 2.544 40 0 GFABMO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012117932 221152370 /nfs/dbraw/zinc/15/23/70/221152370.db2.gz RISJWZFOBCHBHD-FXAWDEMLSA-N 1 1 396.535 2.815 40 0 GFABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1C ZINC000012184571 221163409 /nfs/dbraw/zinc/16/34/09/221163409.db2.gz SZZLBALWNPKHHG-CALCHBBNSA-N 1 1 382.508 2.559 40 0 GFABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1C ZINC000012184571 221163413 /nfs/dbraw/zinc/16/34/13/221163413.db2.gz SZZLBALWNPKHHG-CALCHBBNSA-N 1 1 382.508 2.559 40 0 GFABMO Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)c1 ZINC000013646090 221279118 /nfs/dbraw/zinc/27/91/18/221279118.db2.gz VHTWJMQWPPVPTJ-UHFFFAOYSA-N 1 1 395.912 2.741 40 0 GFABMO COc1cc(C)ccc1OCC(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019134277 221398679 /nfs/dbraw/zinc/39/86/79/221398679.db2.gz HJKJWWLCUNIABB-GOSISDBHSA-N 1 1 396.491 2.524 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347337 136169028 /nfs/dbraw/zinc/16/90/28/136169028.db2.gz JJNOEIXHULFSFZ-HNNXBMFYSA-N 1 1 395.507 2.935 40 0 GFABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347337 136169029 /nfs/dbraw/zinc/16/90/29/136169029.db2.gz JJNOEIXHULFSFZ-HNNXBMFYSA-N 1 1 395.507 2.935 40 0 GFABMO COc1ccc(NC(=O)[C@H]2C[C@H]3CCC[N@H+]3[C@@]23c2ccccc2NC3=O)cc1 ZINC000064164834 222070131 /nfs/dbraw/zinc/07/01/31/222070131.db2.gz RAWOHIWYAHGABO-LDJQZATESA-N 1 1 377.444 2.966 40 0 GFABMO Cc1c(C)n(C2CCCC2)c2ncnc(OC3CC[NH+]([C@@H](C)C(N)=O)CC3)c12 ZINC000072336994 222230095 /nfs/dbraw/zinc/23/00/95/222230095.db2.gz RIDYQOXCJAYZSK-HNNXBMFYSA-N 1 1 385.512 2.880 40 0 GFABMO CN(CCO)C(=O)c1cc([C@@H]2CC[N@@H+](Cc3cccnc3)C2)nc2ccccc21 ZINC000072356013 222239849 /nfs/dbraw/zinc/23/98/49/222239849.db2.gz NMCORAPZBSIQAJ-GOSISDBHSA-N 1 1 390.487 2.684 40 0 GFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2nccnc2Oc2ccccc2)CC1 ZINC000072362918 222241265 /nfs/dbraw/zinc/24/12/65/222241265.db2.gz QRXWMPRMCPOPBK-INIZCTEOSA-N 1 1 384.480 2.599 40 0 GFABMO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000072372181 222242175 /nfs/dbraw/zinc/24/21/75/222242175.db2.gz OSTANGKXYVTFIZ-LJQANCHMSA-N 1 1 393.535 2.845 40 0 GFABMO CCN(CC)S(=O)(=O)N1CCC[C@@H]1c1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC000072372532 222242793 /nfs/dbraw/zinc/24/27/93/222242793.db2.gz MFHYHVHQLOEGOR-QGZVFWFLSA-N 1 1 390.513 2.647 40 0 GFABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373060 222242961 /nfs/dbraw/zinc/24/29/61/222242961.db2.gz HFNYJNOHYKECIP-ROUUACIJSA-N 1 1 386.540 2.550 40 0 GFABMO O=C(c1cc([C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380541 222245901 /nfs/dbraw/zinc/24/59/01/222245901.db2.gz BRKRDJGNNGQUJH-MRXNPFEDSA-N 1 1 388.899 2.915 40 0 GFABMO O=C(C1CC1)N1CCC(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)CC1 ZINC000072398939 222252961 /nfs/dbraw/zinc/25/29/61/222252961.db2.gz IWXHIMCDWDNSMU-UHFFFAOYSA-N 1 1 398.532 2.506 40 0 GFABMO CC(C)[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(C3CCN(C(=O)[C@H]4C[C@@H]4C)CC3)n2)C1 ZINC000072399208 222253131 /nfs/dbraw/zinc/25/31/31/222253131.db2.gz RLQMQYYSZBJAFA-JQHSSLGASA-N 1 1 386.540 2.720 40 0 GFABMO CC[C@H]1C[N@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C/OC)C(=O)OC ZINC000004692659 560199693 /nfs/dbraw/zinc/19/96/93/560199693.db2.gz DAXYUDFNWXHGBE-HLKYYGKDSA-N 1 1 384.476 2.700 40 0 biogenic,in-vitro GFABMO Cc1cc(N2CCC[C@H](N(C)S(=O)(=O)c3cccc(F)c3)CC2)nc(C)[nH+]1 ZINC000019749796 570215156 /nfs/dbraw/zinc/21/51/56/570215156.db2.gz DXIXSPPDEMEBJL-KRWDZBQOSA-N 1 1 392.500 2.912 40 0 GFABMO NC(=O)CC[N@H+]1CC[C@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760999 570216679 /nfs/dbraw/zinc/21/66/79/570216679.db2.gz LVSDMSMEYUQQJF-ZDUSSCGKSA-N 1 1 395.488 2.608 40 0 GFABMO NC(=O)CC[N@H+]1CC[C@@H](c2cc(C(=O)Nc3nccs3)c3ccccc3n2)C1 ZINC000019760996 570216934 /nfs/dbraw/zinc/21/69/34/570216934.db2.gz LVSDMSMEYUQQJF-CYBMUJFWSA-N 1 1 395.488 2.608 40 0 GFABMO CCN1CC[C@@]2(C[N@@H+](CC(C)C)CC23CCN(C(=O)c2ccoc2)CC3)C1=O ZINC000096262763 570226531 /nfs/dbraw/zinc/22/65/31/570226531.db2.gz FGRLCGYJIYOPBL-JOCHJYFZSA-N 1 1 387.524 2.712 40 0 GFABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@](O)(COc2cc(C)ccc2Cl)CC1 ZINC000585270950 570239702 /nfs/dbraw/zinc/23/97/02/570239702.db2.gz CSXZBHQHYRPYEX-FQEVSTJZSA-N 1 1 391.899 2.976 40 0 GFABMO Cc1ccc(C)c(OC[C@@]2(O)C[N@@H+](CC3(O)CCCCCC3)CC[C@@H]2O)c1C ZINC000585284767 570253791 /nfs/dbraw/zinc/25/37/91/570253791.db2.gz ZTQGRQUXMNDFHG-REWPJTCUSA-N 1 1 391.552 2.874 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 ZINC000216440537 570301711 /nfs/dbraw/zinc/30/17/11/570301711.db2.gz XIKFSNTYEJPWKI-UHFFFAOYSA-N 1 1 398.488 2.791 40 0 GFABMO CN(CC[N@@H+](C)C[C@@H]1COc2ccccc2O1)C[C@@H]1COc2ccccc2O1 ZINC000022581221 570322269 /nfs/dbraw/zinc/32/22/69/570322269.db2.gz XLOCDSFWANAFJC-QZTJIDSGSA-N 1 1 384.476 2.530 40 0 GFABMO C[C@@H]1C[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@@H](C)O1 ZINC000025315669 570408366 /nfs/dbraw/zinc/40/83/66/570408366.db2.gz MEDVQDWRNABAKE-FOGDFJRCSA-N 1 1 380.229 2.576 40 0 GFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCCc3ccccc3)CC2)c(C)c1 ZINC000257314237 570487445 /nfs/dbraw/zinc/48/74/45/570487445.db2.gz UVZIJBHGYNXESA-UHFFFAOYSA-N 1 1 396.531 2.868 40 0 GFABMO COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247885401 570717349 /nfs/dbraw/zinc/71/73/49/570717349.db2.gz RJYPPELGTYRUJK-HNNXBMFYSA-N 1 1 375.494 2.737 40 0 GFABMO CNC(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257199605 570759554 /nfs/dbraw/zinc/75/95/54/570759554.db2.gz AABYJNPRDNFCBT-HNNXBMFYSA-N 1 1 388.475 2.950 40 0 GFABMO CCc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257277041 570774566 /nfs/dbraw/zinc/77/45/66/570774566.db2.gz NWFSJUGBRPWDSD-SFGWALBWSA-N 1 1 395.507 2.765 40 0 GFABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccc(F)cc1)C[C@@H]2c1cccnc1 ZINC000306125899 570936761 /nfs/dbraw/zinc/93/67/61/570936761.db2.gz DFDLGRGLDMYOGS-GGAORHGYSA-N 1 1 395.478 2.828 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccco3)C[C@H]1C2 ZINC000306131088 570939043 /nfs/dbraw/zinc/93/90/43/570939043.db2.gz JWDBWYNCCMBXFT-ZIAGYGMSSA-N 1 1 381.411 2.567 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](CCc3ccccc3)C[C@@H]1C2 ZINC000306138054 570943238 /nfs/dbraw/zinc/94/32/38/570943238.db2.gz RNUSJYDWUFQHLY-RBUKOAKNSA-N 1 1 387.487 2.877 40 0 GFABMO Cc1nc(C)n(CC(=O)N2CCCC[C@@H]3[C@H]2[C@@H](c2ccccc2)CC[N@@H+]3C)n1 ZINC000019285746 570969655 /nfs/dbraw/zinc/96/96/55/570969655.db2.gz NUXJNSLPRWBUEW-KCZVDYSFSA-N 1 1 381.524 2.764 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448291 570984547 /nfs/dbraw/zinc/98/45/47/570984547.db2.gz GBECETCYTDXDQS-GOSISDBHSA-N 1 1 384.455 2.653 40 0 GFABMO CCCNC(=O)c1ccc2c(c1)nc1n(c2=O)CC[N@@H+](Cc2ccccc2)CC1 ZINC000019503741 570993699 /nfs/dbraw/zinc/99/36/99/570993699.db2.gz GQNWXYBFYKTXLH-UHFFFAOYSA-N 1 1 390.487 2.595 40 0 GFABMO CCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1OC ZINC000019533698 570999798 /nfs/dbraw/zinc/99/97/98/570999798.db2.gz OAAVBCNEPSPULD-VSOVRNOCSA-N 1 1 385.508 2.947 40 0 GFABMO C=Cn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019584201 571014698 /nfs/dbraw/zinc/01/46/98/571014698.db2.gz KSLFRXOFQUKVQL-KRWDZBQOSA-N 1 1 382.512 2.745 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1F ZINC000019590415 571017933 /nfs/dbraw/zinc/01/79/33/571017933.db2.gz VVSMSEBAEVZHPD-INIZCTEOSA-N 1 1 398.482 2.561 40 0 GFABMO COc1cccc(OC)c1C(=O)N1CCCC[C@@H]1c1cc(C[NH+](C)C)n(C)n1 ZINC000019709160 571033586 /nfs/dbraw/zinc/03/35/86/571033586.db2.gz WYMDZTQBSKLYKY-QGZVFWFLSA-N 1 1 386.496 2.866 40 0 GFABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 ZINC000019709294 571033830 /nfs/dbraw/zinc/03/38/30/571033830.db2.gz VPOKULJJXWFTQU-INIZCTEOSA-N 1 1 379.464 2.532 40 0 GFABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccccc2F)C3)c(OC)n1 ZINC000012180999 204378636 /nfs/dbraw/zinc/37/86/36/204378636.db2.gz DNBJCXMGEJKEOP-GWTOYCKXSA-N 1 1 387.455 2.753 40 0 GFABMO CCn1cncc1C[N@@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000072339410 205327841 /nfs/dbraw/zinc/32/78/41/205327841.db2.gz GJCKIFAACUHQFV-UHFFFAOYSA-N 1 1 378.436 2.778 40 0 GFABMO CCn1cncc1C[N@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000072339410 205327846 /nfs/dbraw/zinc/32/78/46/205327846.db2.gz GJCKIFAACUHQFV-UHFFFAOYSA-N 1 1 378.436 2.778 40 0 GFABMO CNc1nc([C@H]2CCCN(C(C)=O)C2)nc2c1C[N@@H+](CCc1ccccc1)CC2 ZINC000072372180 205337306 /nfs/dbraw/zinc/33/73/06/205337306.db2.gz OSTANGKXYVTFIZ-IBGZPJMESA-N 1 1 393.535 2.845 40 0 GFABMO CC(C)[N@H+]1CCc2nc(C3CCN(C(=O)C4[C@@H]5CCCC[C@H]45)CC3)[nH]c(=O)c2C1 ZINC000072398712 205343750 /nfs/dbraw/zinc/34/37/50/205343750.db2.gz CEZGFZZIOVKERE-XEWABKELSA-N 1 1 398.551 2.679 40 0 GFABMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000247502462 206133341 /nfs/dbraw/zinc/13/33/41/206133341.db2.gz FXEJWHSMKKIATG-RTBURBONSA-N 1 1 376.547 2.926 40 0 GFABMO C[NH+]1CCN(C(=O)C2(Cc3ccc(-c4ccncc4)cc3)CCOCC2)CC1 ZINC000257216359 206160455 /nfs/dbraw/zinc/16/04/55/206160455.db2.gz CUFGEUMXIZPNGO-UHFFFAOYSA-N 1 1 379.504 2.862 40 0 GFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140952 206205747 /nfs/dbraw/zinc/20/57/47/206205747.db2.gz VHMMBLHRYJUDKO-NQIIRXRSSA-N 1 1 386.496 2.522 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccc(Cl)cc3)C[C@@H]1C2 ZINC000306124014 206197714 /nfs/dbraw/zinc/19/77/14/206197714.db2.gz BDBPGRQWSJNXBW-GJZGRUSLSA-N 1 1 385.899 2.518 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)cs1 ZINC000306133204 206200809 /nfs/dbraw/zinc/20/08/09/206200809.db2.gz MFCHAOOKZHYQOC-MOPGFXCFSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)cs1 ZINC000306133204 206200815 /nfs/dbraw/zinc/20/08/15/206200815.db2.gz MFCHAOOKZHYQOC-MOPGFXCFSA-N 1 1 379.489 2.730 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H]3CN(Cc4nccs4)CCN3C(C)(C)C2)cc1 ZINC000253399567 560040188 /nfs/dbraw/zinc/04/01/88/560040188.db2.gz JRQUYTODOBIMAW-SFHVURJKSA-N 1 1 386.565 2.932 40 0 biogenic,in-vitro GFABMO CC1(C)CN(S(=O)(=O)c2ccccc2)C[C@@H]2C[N@H+](C3CCCCC3)CCN21 ZINC000253405238 560040241 /nfs/dbraw/zinc/04/02/41/560040241.db2.gz SCIKGCNJOOTLKA-IBGZPJMESA-N 1 1 391.581 2.788 40 0 biogenic,in-vitro GFABMO CC(=O)N1CC(=O)N(c2ccsc2)C[C@@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096077315 570209814 /nfs/dbraw/zinc/20/98/14/570209814.db2.gz DGPYVZGCCIETLL-SFHVURJKSA-N 1 1 375.519 2.649 40 0 GFABMO Cn1cccc1C[N@H+]1CCOCC2(CCN(C(=O)c3ccc(F)cc3)CC2)C1 ZINC000096078178 570209940 /nfs/dbraw/zinc/20/99/40/570209940.db2.gz IXSCMGFFZXDGOK-UHFFFAOYSA-N 1 1 385.483 2.919 40 0 GFABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2)CC1 ZINC000000902218 570229109 /nfs/dbraw/zinc/22/91/09/570229109.db2.gz IZCZYKKXHRPRKA-QGZVFWFLSA-N 1 1 393.553 2.778 40 0 GFABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCN(c2ccccc2F)CC1 ZINC000585285100 570254301 /nfs/dbraw/zinc/25/43/01/570254301.db2.gz WAPADKVZWASNRJ-NHCUHLMSSA-N 1 1 389.515 2.632 40 0 GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccc(F)cc2)CC[C@@]1(C)O ZINC000604383086 570353664 /nfs/dbraw/zinc/35/36/64/570353664.db2.gz HJNGIJLMVPSBJG-FDFHNCONSA-N 1 1 386.467 2.655 40 0 biogenic,in-vitro GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccc(F)cc2)CC[C@@]1(C)O ZINC000604383086 570353668 /nfs/dbraw/zinc/35/36/68/570353668.db2.gz HJNGIJLMVPSBJG-FDFHNCONSA-N 1 1 386.467 2.655 40 0 biogenic,in-vitro GFABMO C[N@H+](Cc1ccc(OCCN2CCCC2=O)cc1)C[C@H](O)COc1ccccc1 ZINC000257206775 570487217 /nfs/dbraw/zinc/48/72/17/570487217.db2.gz BEVUXJGFJVJNRZ-FQEVSTJZSA-N 1 1 398.503 2.560 40 0 GFABMO CC[C@@H](C)[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NCc1ccc(C)cc1 ZINC000035877001 570552103 /nfs/dbraw/zinc/55/21/03/570552103.db2.gz QXXLHODIWNSIJU-VOQZNFBZSA-N 1 1 393.531 2.857 40 0 GFABMO CC[N@@H+](C)[C@H]1CN(C(=O)Cc2ccc(S(C)(=O)=O)cc2)C2(C1)CCCCC2 ZINC000019704007 570896678 /nfs/dbraw/zinc/89/66/78/570896678.db2.gz JODYUUMDZLYGAU-GOSISDBHSA-N 1 1 392.565 2.888 40 0 GFABMO CCC[C@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501892 570927167 /nfs/dbraw/zinc/92/71/67/570927167.db2.gz CFTKGYMFAFACMO-WOJBJXKFSA-N 1 1 384.528 2.511 40 0 GFABMO O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102253 570930119 /nfs/dbraw/zinc/93/01/19/570930119.db2.gz VNFNPYTTZNSPTE-NFBKMPQASA-N 1 1 397.519 2.895 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(C)c2)CC1 ZINC000585106336 570936478 /nfs/dbraw/zinc/93/64/78/570936478.db2.gz XFNFIOBTHWIQRB-RLLQIKCJSA-N 1 1 383.536 2.836 40 0 GFABMO Cc1cc2c(C[N@@H+]3CCCOCC3)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 ZINC000019124801 570958012 /nfs/dbraw/zinc/95/80/12/570958012.db2.gz ZDSIOXDSHLXRSE-UHFFFAOYSA-N 1 1 398.429 2.626 40 0 GFABMO Cc1cc2c(C[N@H+]3CCCOCC3)c(C(F)(F)F)nc-2n(CC(=O)N(C)C)c1 ZINC000019124801 570958015 /nfs/dbraw/zinc/95/80/15/570958015.db2.gz ZDSIOXDSHLXRSE-UHFFFAOYSA-N 1 1 398.429 2.626 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N[C@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019288061 570970628 /nfs/dbraw/zinc/97/06/28/570970628.db2.gz AVLWEOOUUBKIGO-PGRDOPGGSA-N 1 1 396.491 2.603 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448269 570984458 /nfs/dbraw/zinc/98/44/58/570984458.db2.gz LPDRHVHJQOIAIF-IBGZPJMESA-N 1 1 398.482 2.582 40 0 GFABMO C[C@H]1Cc2cc([C@H](O)C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498026 570990344 /nfs/dbraw/zinc/99/03/44/570990344.db2.gz LRUZEEAIBABYPH-OXJNMPFZSA-N 1 1 396.487 2.590 40 0 GFABMO COc1ccc(C[N@@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)cc1 ZINC000019554838 571002868 /nfs/dbraw/zinc/00/28/68/571002868.db2.gz GCKGNDQGALRPMH-OAQYLSRUSA-N 1 1 398.507 2.503 40 0 GFABMO COc1ccc(C[N@H+](Cc2cnc(N3CCOCC3)nc2)C[C@H]2CCCO2)cc1 ZINC000019554838 571002869 /nfs/dbraw/zinc/00/28/69/571002869.db2.gz GCKGNDQGALRPMH-OAQYLSRUSA-N 1 1 398.507 2.503 40 0 GFABMO COc1cccc(OC)c1C[N@H+]1CC[C@@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019567012 571007922 /nfs/dbraw/zinc/00/79/22/571007922.db2.gz JZHPXLKVLVRKMY-MRXNPFEDSA-N 1 1 392.459 2.839 40 0 GFABMO C[C@]12C[N@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576461 571011799 /nfs/dbraw/zinc/01/17/99/571011799.db2.gz LCILDVWNWLAFBU-XXBNENTESA-N 1 1 386.455 2.894 40 0 GFABMO C[C@]12C[N@@H+](Cc3c[nH]nc3-c3ccccc3)C[C@H]1NC(=O)c1ccccc1C2=O ZINC000019576461 571011802 /nfs/dbraw/zinc/01/18/02/571011802.db2.gz LCILDVWNWLAFBU-XXBNENTESA-N 1 1 386.455 2.894 40 0 GFABMO COc1ccc(CN2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1OC ZINC000019588676 571016332 /nfs/dbraw/zinc/01/63/32/571016332.db2.gz WXQCPDGJSUVQJL-KRWDZBQOSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(OC)c1 ZINC000019590446 571017922 /nfs/dbraw/zinc/01/79/22/571017922.db2.gz DIUCPFKEOCKEQZ-OAHLLOKOSA-N 1 1 396.491 2.502 40 0 GFABMO CCN(CC)C(=O)C[N@H+]1CCC[C@H]1c1ccc(-c2ccc(C(=O)NC)nc2)cn1 ZINC000019691809 571029791 /nfs/dbraw/zinc/02/97/91/571029791.db2.gz WFSUZKKJWAWWAC-FQEVSTJZSA-N 1 1 395.507 2.509 40 0 GFABMO Cc1ccc2oc(C(=O)N3CCc4nnc([C@@H]5CCC[N@H+](C)C5)n4CC3)cc2c1 ZINC000019709273 571033705 /nfs/dbraw/zinc/03/37/05/571033705.db2.gz UNSCLXHBTLAHJQ-MRXNPFEDSA-N 1 1 393.491 2.840 40 0 GFABMO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@@H]5CCC[N@H+](C)C5)n4CC3)cc21 ZINC000019709271 571033850 /nfs/dbraw/zinc/03/38/50/571033850.db2.gz FHJSVKGWLBPPOO-MRXNPFEDSA-N 1 1 392.507 2.576 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715540 571037177 /nfs/dbraw/zinc/03/71/77/571037177.db2.gz QPMOBWMWZHMTAO-HNNXBMFYSA-N 1 1 398.486 2.946 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715540 571037178 /nfs/dbraw/zinc/03/71/78/571037178.db2.gz QPMOBWMWZHMTAO-HNNXBMFYSA-N 1 1 398.486 2.946 40 0 GFABMO Cc1nc(CN2CCOC[C@@]3(C[N@H+](Cc4cccs4)CCO3)C2)cs1 ZINC000096049806 571097137 /nfs/dbraw/zinc/09/71/37/571097137.db2.gz CKKXNDVIUVXYQS-SFHVURJKSA-N 1 1 379.551 2.616 40 0 GFABMO Cc1nc(CN2CCOC[C@@]3(C[N@@H+](Cc4cccs4)CCO3)C2)cs1 ZINC000096049806 571097141 /nfs/dbraw/zinc/09/71/41/571097141.db2.gz CKKXNDVIUVXYQS-SFHVURJKSA-N 1 1 379.551 2.616 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1cccnc1)CCC2 ZINC000096056048 571097916 /nfs/dbraw/zinc/09/79/16/571097916.db2.gz OASQPVYPILFTSS-UGKGYDQZSA-N 1 1 380.492 2.758 40 0 GFABMO COc1ccccc1CNC(=O)C[NH+]1CCC(c2ccc3c(c2)OCO3)CC1 ZINC000012113992 204372628 /nfs/dbraw/zinc/37/26/28/204372628.db2.gz RFFXOMPQYICCQX-UHFFFAOYSA-N 1 1 382.460 2.920 40 0 GFABMO C[C@H]1Cc2cc([C@@H](O)C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498024 204646600 /nfs/dbraw/zinc/64/66/00/204646600.db2.gz LRUZEEAIBABYPH-JXFKEZNVSA-N 1 1 396.487 2.590 40 0 GFABMO COc1ccccc1[C@@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)OCCCO3)C1 ZINC000036741286 205021745 /nfs/dbraw/zinc/02/17/45/205021745.db2.gz FQQOAKRNTCAAEB-WMZHIEFXSA-N 1 1 399.487 2.874 40 0 GFABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)CN1CCCC1=O)[C@H]2Cc1ccccc1 ZINC000257222394 206161534 /nfs/dbraw/zinc/16/15/34/206161534.db2.gz DTCUBSLIUFEQGU-ROLQDKDTSA-N 1 1 395.547 2.694 40 0 GFABMO COc1cccc(OC)c1OCC(=O)N1CCC[C@@]2(C)[C@@H]1CCCC[N@H+]2C ZINC000257284018 206173438 /nfs/dbraw/zinc/17/34/38/206173438.db2.gz PAXKJAXBTDVVPU-RXVVDRJESA-N 1 1 376.497 2.948 40 0 GFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3ccccn3)n2)CC1 ZINC000257224707 206162853 /nfs/dbraw/zinc/16/28/53/206162853.db2.gz FCZBHZCEUODTME-INIZCTEOSA-N 1 1 383.496 2.551 40 0 GFABMO CCc1c2cc(C)ccc2[nH]c1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257223674 206162861 /nfs/dbraw/zinc/16/28/61/206162861.db2.gz DYKHXOSZGFVECU-KCZVDYSFSA-N 1 1 399.535 2.725 40 0 GFABMO NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccccc1N1CCCCC1 ZINC000257266491 206169560 /nfs/dbraw/zinc/16/95/60/206169560.db2.gz MDFUFAFYDMGPLM-HSZRJFAPSA-N 1 1 392.547 2.849 40 0 GFABMO C[N@H+]1CC[C@H](COCc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 ZINC000306131714 206200690 /nfs/dbraw/zinc/20/06/90/206200690.db2.gz KNPSTXLDZQRHPC-KRWDZBQOSA-N 1 1 381.476 2.540 40 0 GFABMO CC(C)N1C[C@]2(CC[N@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306135326 206203887 /nfs/dbraw/zinc/20/38/87/206203887.db2.gz ONOXRBPMQKUDIE-HXUWFJFHSA-N 1 1 387.505 2.518 40 0 GFABMO CC(C)N1C[C@]2(CC[N@@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306135326 206203891 /nfs/dbraw/zinc/20/38/91/206203891.db2.gz ONOXRBPMQKUDIE-HXUWFJFHSA-N 1 1 387.505 2.518 40 0 GFABMO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cccc3nccnc13)C2 ZINC000072347325 136168733 /nfs/dbraw/zinc/16/87/33/136168733.db2.gz CMWSWFRUPGBMQA-HNNXBMFYSA-N 1 1 390.491 2.650 40 0 GFABMO C[C@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1cccc3nccnc13)C2 ZINC000072347325 136168734 /nfs/dbraw/zinc/16/87/34/136168734.db2.gz CMWSWFRUPGBMQA-HNNXBMFYSA-N 1 1 390.491 2.650 40 0 GFABMO COC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220760 553053395 /nfs/dbraw/zinc/05/33/95/553053395.db2.gz ZKJMIFCSCOFZLW-ULQDDVLXSA-N 1 1 396.306 2.733 40 0 GFABMO CC(C)C[N@H+]1C[C@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514288522 560034894 /nfs/dbraw/zinc/03/48/94/560034894.db2.gz BWRFWQYZPZEDSQ-RTBURBONSA-N 1 1 397.485 2.667 40 0 biogenic,in-vitro GFABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000096315621 570228825 /nfs/dbraw/zinc/22/88/25/570228825.db2.gz SESBAAPAZCLYJO-GHTZIAJQSA-N 1 1 390.455 2.943 40 0 GFABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000096315621 570228829 /nfs/dbraw/zinc/22/88/29/570228829.db2.gz SESBAAPAZCLYJO-GHTZIAJQSA-N 1 1 390.455 2.943 40 0 GFABMO CC(C)(O)COc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(F)c3)C2)cc1 ZINC000585268825 570235240 /nfs/dbraw/zinc/23/52/40/570235240.db2.gz LBOLPSYXCRWWPE-PMACEKPBSA-N 1 1 375.440 2.600 40 0 GFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@]2(O)CCN(c3ccccn3)C2)cc1 ZINC000585270180 570239068 /nfs/dbraw/zinc/23/90/68/570239068.db2.gz HUKZRHOWUQCKSQ-JOCHJYFZSA-N 1 1 385.508 2.570 40 0 GFABMO C[NH+]1CCN(C(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)CC1 ZINC000047216220 570326157 /nfs/dbraw/zinc/32/61/57/570326157.db2.gz TWFUKQRBQCXRRD-UHFFFAOYSA-N 1 1 391.515 2.980 40 0 GFABMO O=C(NCCC[NH+]1CCOCC1)c1ccc(CN2CCc3ccccc32)cc1 ZINC000116107679 570344442 /nfs/dbraw/zinc/34/44/42/570344442.db2.gz IMRSHYPOGXZGHN-UHFFFAOYSA-N 1 1 379.504 2.701 40 0 GFABMO COc1ccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000023240201 570352070 /nfs/dbraw/zinc/35/20/70/570352070.db2.gz OAVAQKPPZWOJLK-KRWDZBQOSA-N 1 1 384.476 2.611 40 0 GFABMO CC(C)(C)OC(=O)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000097758991 570573810 /nfs/dbraw/zinc/57/38/10/570573810.db2.gz UWETWKRMNKDEAU-QZTJIDSGSA-N 1 1 385.508 2.634 40 0 GFABMO O=C(NC1CC(F)(F)C1)C1=NO[C@]2(C1)CCC[N@H+](CC1CC(F)(F)C1)C2 ZINC000585101204 570926248 /nfs/dbraw/zinc/92/62/48/570926248.db2.gz NOJPWNCKMUTBBF-HNNXBMFYSA-N 1 1 377.382 2.557 40 0 GFABMO Cc1ccc2nc(C(F)(F)F)n(CC(=O)N[C@@H](C)CC[NH+]3CCOCC3)c2c1 ZINC000019221447 570963486 /nfs/dbraw/zinc/96/34/86/570963486.db2.gz OBUMVUQBJSXIGG-AWEZNQCLSA-N 1 1 398.429 2.591 40 0 GFABMO COc1ccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)cc1OC ZINC000019590710 571018586 /nfs/dbraw/zinc/01/85/86/571018586.db2.gz GQYFGXIJQDBLDN-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1OC ZINC000019590710 571018589 /nfs/dbraw/zinc/01/85/89/571018589.db2.gz GQYFGXIJQDBLDN-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(CCC(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)cc1 ZINC000019590669 571018701 /nfs/dbraw/zinc/01/87/01/571018701.db2.gz KKLFLVATJPLTDZ-UHFFFAOYSA-N 1 1 394.519 2.812 40 0 GFABMO COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4cc(C[NH+](C)C)n(C)n4)C3)cc21 ZINC000019709047 571033878 /nfs/dbraw/zinc/03/38/78/571033878.db2.gz LAOPSSKGFUWIBD-OAHLLOKOSA-N 1 1 395.507 2.991 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@H](c3nnc4n3CCNC4)C2)c2ccc(F)cc21 ZINC000019711019 571035035 /nfs/dbraw/zinc/03/50/35/571035035.db2.gz MFKQJTZALIJZEK-HNNXBMFYSA-N 1 1 382.487 2.875 40 0 GFABMO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4nccs4)CC3)[C@@H]2C)cs1 ZINC000096062283 571098575 /nfs/dbraw/zinc/09/85/75/571098575.db2.gz JWKQQTVUBWYVQK-ZDUSSCGKSA-N 1 1 392.550 2.690 40 0 GFABMO COc1cc(Br)c2c3c1O[C@@H]1C(=O)CC[C@@H]4[C@H](C2)[N@H+](C)CC[C@@]314 ZINC000004972616 204098993 /nfs/dbraw/zinc/09/89/93/204098993.db2.gz YZPIZCZVRQNQEA-VBOQLQMTSA-N 1 1 378.266 2.696 40 0 GFABMO COc1ccc(CN(Cc2c[nH+]c(C)n2C)C[C@H]2CCCO2)c(OC)c1OC ZINC000012147077 204375745 /nfs/dbraw/zinc/37/57/45/204375745.db2.gz DPEHSKVUFRLFGS-GOSISDBHSA-N 1 1 389.496 2.936 40 0 GFABMO C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc2c(cnn2C2CCOCC2)c(=O)[nH]1 ZINC000066354669 205241084 /nfs/dbraw/zinc/24/10/84/205241084.db2.gz RVEJWGYZBXCGGM-DNVCBOLYSA-N 1 1 393.491 2.707 40 0 GFABMO CCc1ncc(C[N@@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)cn1 ZINC000072339397 205328018 /nfs/dbraw/zinc/32/80/18/205328018.db2.gz IMXOEVBKBBQWFY-UHFFFAOYSA-N 1 1 390.447 2.914 40 0 GFABMO CCc1ncc(C[N@H+]2CCc3c([nH]c4cc(-c5ccoc5C)nn4c3=O)C2)cn1 ZINC000072339397 205328021 /nfs/dbraw/zinc/32/80/21/205328021.db2.gz IMXOEVBKBBQWFY-UHFFFAOYSA-N 1 1 390.447 2.914 40 0 GFABMO CCn1ccnc1C[NH+]1CCC(Cc2nn(C)cc2C(=O)NC2CCCC2)CC1 ZINC000072352135 205332438 /nfs/dbraw/zinc/33/24/38/205332438.db2.gz IXRAHJQGRHLKEA-UHFFFAOYSA-N 1 1 398.555 2.764 40 0 GFABMO CCN(CC)S(=O)(=O)N1CCC[C@H]1c1cc(Nc2cnccn2)cc(C)[nH+]1 ZINC000072372533 205337039 /nfs/dbraw/zinc/33/70/39/205337039.db2.gz MFHYHVHQLOEGOR-KRWDZBQOSA-N 1 1 390.513 2.647 40 0 GFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cccs3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC000096144185 205531712 /nfs/dbraw/zinc/53/17/12/205531712.db2.gz WEORRYXFIUWWNS-OAQYLSRUSA-N 1 1 389.565 2.791 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)c1 ZINC000224738716 206027128 /nfs/dbraw/zinc/02/71/28/206027128.db2.gz WJMDARGWOTWRCF-QGZVFWFLSA-N 1 1 384.476 2.611 40 0 GFABMO COC(=O)[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000225901538 206083888 /nfs/dbraw/zinc/08/38/88/206083888.db2.gz MNZJUSUFFPHZGL-NQIIRXRSSA-N 1 1 394.471 2.866 40 0 GFABMO COc1ccc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)c(=O)oc2c1 ZINC000226043079 206087186 /nfs/dbraw/zinc/08/71/86/206087186.db2.gz QDRUPYDYONYSRZ-UHFFFAOYSA-N 1 1 378.428 2.760 40 0 GFABMO COCC[N@@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1ccc3ccccc3n1)C2 ZINC000248046060 206134993 /nfs/dbraw/zinc/13/49/93/206134993.db2.gz WIIGKHDZGCHYPH-JPYJTQIMSA-N 1 1 397.519 2.824 40 0 GFABMO CCn1c2ccc(NC(=O)C[NH+]3CCC4(COC(C)(C)C4)CC3)cc2oc1=O ZINC000257205086 206158688 /nfs/dbraw/zinc/15/86/88/206158688.db2.gz AXOWPKSZMNLWDX-UHFFFAOYSA-N 1 1 387.480 2.834 40 0 GFABMO COc1ccc([C@H]2C[N@@H+](C)[C@@H]3CCN(C(=O)c4ccc(OC)nc4)C[C@@H]32)cc1 ZINC000257222805 206161021 /nfs/dbraw/zinc/16/10/21/206161021.db2.gz DUSUQTQXPABSBP-VAMGGRTRSA-N 1 1 381.476 2.659 40 0 GFABMO O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCC[C@@](O)(C[NH+]2CCCC2)CC1 ZINC000257314170 206178232 /nfs/dbraw/zinc/17/82/32/206178232.db2.gz UVPLZFGWBFHUEW-NRFANRHFSA-N 1 1 386.471 2.669 40 0 GFABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)c1ccc(N)nc1 ZINC000257334546 206181011 /nfs/dbraw/zinc/18/10/11/206181011.db2.gz YGJRQBFMACRQJH-WKILWMFISA-N 1 1 384.528 2.505 40 0 GFABMO Cn1cc(-c2cnc3ncn(C4CC[NH+](Cc5nccs5)CC4)c3n2)cn1 ZINC000306136126 206204111 /nfs/dbraw/zinc/20/41/11/206204111.db2.gz PKCDKJGBAKCFPU-UHFFFAOYSA-N 1 1 380.481 2.520 40 0 GFABMO CCc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347181 136168769 /nfs/dbraw/zinc/16/87/69/136168769.db2.gz LMJBWPRPEXUWOP-HZPDHXFCSA-N 1 1 382.508 2.504 40 0 GFABMO CCc1ccc(C[N@H+]2CCc3c(nc(N4C[C@@H](C)O[C@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347181 136168770 /nfs/dbraw/zinc/16/87/70/136168770.db2.gz LMJBWPRPEXUWOP-HZPDHXFCSA-N 1 1 382.508 2.504 40 0 GFABMO O=C(Cc1cccc(F)c1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096078216 570209999 /nfs/dbraw/zinc/20/99/99/570209999.db2.gz VLJKOQFXPQSBDE-UHFFFAOYSA-N 1 1 397.494 2.904 40 0 GFABMO CN(C)C(=O)CN1CCC2(CC1)C[N@H+](Cc1ccncc1)Cc1ccccc12 ZINC000096242428 570222711 /nfs/dbraw/zinc/22/27/11/570222711.db2.gz HCGVSKYATYYDAD-UHFFFAOYSA-N 1 1 378.520 2.519 40 0 GFABMO CN(C)C(=O)CN1CCC2(CC1)C[N@@H+](Cc1ccncc1)Cc1ccccc12 ZINC000096242428 570222712 /nfs/dbraw/zinc/22/27/12/570222712.db2.gz HCGVSKYATYYDAD-UHFFFAOYSA-N 1 1 378.520 2.519 40 0 GFABMO CN(C)c1nc2c(cc1C(=O)NCC1CC1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000096260363 570225335 /nfs/dbraw/zinc/22/53/35/570225335.db2.gz CJRVUROOTQPMJC-UHFFFAOYSA-N 1 1 378.520 2.888 40 0 GFABMO COc1cc(C[N@@H+](C)C[C@H](O)COc2ccc(C)cc2C)ccc1OCCO ZINC000585262499 570230578 /nfs/dbraw/zinc/23/05/78/570230578.db2.gz GYWGMHPZQFWVLI-IBGZPJMESA-N 1 1 389.492 2.555 40 0 GFABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2cccc(C)c2)CC1 ZINC000585282506 570250031 /nfs/dbraw/zinc/25/00/31/570250031.db2.gz FHLFEGUFKRZSDM-VXKWHMMOSA-N 1 1 385.552 2.802 40 0 GFABMO C[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000072341143 570880915 /nfs/dbraw/zinc/88/09/15/570880915.db2.gz FVTYKMBURSYQQQ-MGPUTAFESA-N 1 1 393.491 2.773 40 0 GFABMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616817 570887997 /nfs/dbraw/zinc/88/79/97/570887997.db2.gz OJTCFNLXGGSEHB-OAHLLOKOSA-N 1 1 379.439 2.788 40 0 GFABMO Cc1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N3Cc3c(C)noc3C)CC2)n(C)n1 ZINC000585099844 570925609 /nfs/dbraw/zinc/92/56/09/570925609.db2.gz HOGHFQVSAUAQEM-OAQYLSRUSA-N 1 1 385.512 2.881 40 0 GFABMO C[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019589866 570927641 /nfs/dbraw/zinc/92/76/41/570927641.db2.gz WBTBTDFNXSZPEC-LJQANCHMSA-N 1 1 382.899 2.712 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104567 570933394 /nfs/dbraw/zinc/93/33/94/570933394.db2.gz QJIQCHIWWZSYJA-HMXCVIKNSA-N 1 1 386.536 2.709 40 0 GFABMO CC[C@@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585105994 570935367 /nfs/dbraw/zinc/93/53/67/570935367.db2.gz BCPIHPIOBLUGAV-AHRSYUTCSA-N 1 1 383.536 2.694 40 0 GFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106031 570935872 /nfs/dbraw/zinc/93/58/72/570935872.db2.gz GFAGEKPXIQXZHI-IPELMVKDSA-N 1 1 387.499 2.524 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106313 570936500 /nfs/dbraw/zinc/93/65/00/570936500.db2.gz SJNYJINPLLQFOD-JQHSSLGASA-N 1 1 389.565 2.518 40 0 GFABMO COc1c2c(cc3c1[C@H](Cc1cc(N)c4ccccc4[n+]1C)N(C)CC3)OCO2 ZINC000020112709 570941189 /nfs/dbraw/zinc/94/11/89/570941189.db2.gz XEPPVVCGCAFDLT-IBGZPJMESA-O 1 1 392.479 2.756 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 ZINC000019018401 570954836 /nfs/dbraw/zinc/95/48/36/570954836.db2.gz KYVUJIKHMRNMBX-GOSISDBHSA-N 1 1 380.492 2.769 40 0 GFABMO COc1ccc(OC)c([C@@H](O)CN2CCC[N@@H+](Cc3cccc(C)n3)CC2)c1 ZINC000019236282 570966495 /nfs/dbraw/zinc/96/64/95/570966495.db2.gz LYEKSAWWBONZQX-NRFANRHFSA-N 1 1 385.508 2.649 40 0 GFABMO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCCN(Cc3cccc(C)n3)CC2)c1 ZINC000019236282 570966499 /nfs/dbraw/zinc/96/64/99/570966499.db2.gz LYEKSAWWBONZQX-NRFANRHFSA-N 1 1 385.508 2.649 40 0 GFABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCCN(Cc3cccc(C)n3)CC2)c1 ZINC000019236282 570966501 /nfs/dbraw/zinc/96/65/01/570966501.db2.gz LYEKSAWWBONZQX-NRFANRHFSA-N 1 1 385.508 2.649 40 0 GFABMO COCCOc1ccc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)cc1 ZINC000019291385 570972306 /nfs/dbraw/zinc/97/23/06/570972306.db2.gz FYMHMAHDLQNNEE-QIDMFYOTSA-N 1 1 385.508 2.565 40 0 GFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000019500332 570992413 /nfs/dbraw/zinc/99/24/13/570992413.db2.gz MTYXFVHFGXBJAB-OAHLLOKOSA-N 1 1 390.528 2.634 40 0 GFABMO CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019531460 570998810 /nfs/dbraw/zinc/99/88/10/570998810.db2.gz IQPIUYYYEMZBKE-GOSISDBHSA-N 1 1 381.480 2.626 40 0 GFABMO CCOc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)ccc1OC ZINC000019532123 570999342 /nfs/dbraw/zinc/99/93/42/570999342.db2.gz ZIZCOJSYSHHRJK-FDFHNCONSA-N 1 1 396.531 2.956 40 0 GFABMO COc1ccc(C[NH+]2CCC(O)(c3cccnc3F)CC2)c(OC)c1OC ZINC000019552734 571001989 /nfs/dbraw/zinc/00/19/89/571001989.db2.gz KREANXYUEQXSKH-UHFFFAOYSA-N 1 1 376.428 2.730 40 0 GFABMO Cc1nc(N(C)C)ncc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000019552766 571002116 /nfs/dbraw/zinc/00/21/16/571002116.db2.gz USXFHUFUEGVIBG-LJQANCHMSA-N 1 1 385.487 2.947 40 0 GFABMO Cc1ccc2cc(C(=O)N3CCc4nnc([C@@H]5CCC[N@H+](C)C5)n4CC3)[nH]c2c1 ZINC000019709259 571033641 /nfs/dbraw/zinc/03/36/41/571033641.db2.gz GJKOMFQYHNGYIM-QGZVFWFLSA-N 1 1 392.507 2.576 40 0 GFABMO CNc1nc([C@@H]2CCC[N@@H+](C)C2)nc2c1CN(C(=O)Cc1ccc(F)cc1)CC2 ZINC000019711430 571035594 /nfs/dbraw/zinc/03/55/94/571035594.db2.gz DXSLDOQVVUHPDG-MRXNPFEDSA-N 1 1 397.498 2.594 40 0 GFABMO CC[C@H]1C[N@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000223283690 203791689 /nfs/dbraw/zinc/79/16/89/203791689.db2.gz DAXYUDFNWXHGBE-BRSGZFOASA-N 1 1 384.476 2.700 40 0 GFABMO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000036734544 205021293 /nfs/dbraw/zinc/02/12/93/205021293.db2.gz GREDHTBMIOQSCM-XLIONFOSSA-N 1 1 381.451 2.694 40 0 GFABMO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(F)c3)C2)[C@H](c2ccccc2)C1 ZINC000036734544 205021298 /nfs/dbraw/zinc/02/12/98/205021298.db2.gz GREDHTBMIOQSCM-XLIONFOSSA-N 1 1 381.451 2.694 40 0 GFABMO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@@H+]2CC(=O)N2CCCC2)c1 ZINC000072376836 205337772 /nfs/dbraw/zinc/33/77/72/205337772.db2.gz GDWCUFXIFMFYGE-LJQANCHMSA-N 1 1 395.507 2.884 40 0 GFABMO COc1cccc(-c2cnc(N)nc2[C@H]2CCCC[N@H+]2CC(=O)N2CCCC2)c1 ZINC000072376836 205337775 /nfs/dbraw/zinc/33/77/75/205337775.db2.gz GDWCUFXIFMFYGE-LJQANCHMSA-N 1 1 395.507 2.884 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000072373879 205338434 /nfs/dbraw/zinc/33/84/34/205338434.db2.gz DZMVTRJOLQZNDV-MRXNPFEDSA-N 1 1 384.484 2.737 40 0 GFABMO CNc1cc(Nc2nccc([C@@H]3CCC[N@@H+](Cc4ccncc4)C3)n2)ncn1 ZINC000072377624 205339204 /nfs/dbraw/zinc/33/92/04/205339204.db2.gz QZHRJQBTOHWLQR-MRXNPFEDSA-N 1 1 376.468 2.827 40 0 GFABMO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](Cc4ccccn4)C3)n2)ncn1 ZINC000072377654 205339330 /nfs/dbraw/zinc/33/93/30/205339330.db2.gz GGLQGWILAGNNLQ-HNNXBMFYSA-N 1 1 376.468 2.827 40 0 GFABMO CCOC(=O)c1cc(NC(=S)NCCC[NH+]2CCOCC2)ccc1Cl ZINC000225585887 206058973 /nfs/dbraw/zinc/05/89/73/206058973.db2.gz NXNQHNSXDLKKBS-UHFFFAOYSA-N 1 1 385.917 2.525 40 0 GFABMO COC[C@@H]1CN(C(=O)c2ccco2)CC12CC[NH+](Cc1nccs1)CC2 ZINC000247884139 206136886 /nfs/dbraw/zinc/13/68/86/206136886.db2.gz RBYVMQXHHQGNMH-HNNXBMFYSA-N 1 1 375.494 2.737 40 0 GFABMO Cc1nc2ccccc2n1CCCC(=O)N[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257208351 206159570 /nfs/dbraw/zinc/15/95/70/206159570.db2.gz BLUSDVXPEQPPEB-YFVAEKQCSA-N 1 1 381.480 2.511 40 0 GFABMO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[N@@H+](C)Cc1ccc(F)cc1 ZINC000257236953 206164626 /nfs/dbraw/zinc/16/46/26/206164626.db2.gz HEOHNSWMJMGAIO-CUXKYVRBSA-N 1 1 387.499 2.648 40 0 GFABMO CC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)C[N@H+](C)Cc1ccc(F)cc1 ZINC000257236953 206164629 /nfs/dbraw/zinc/16/46/29/206164629.db2.gz HEOHNSWMJMGAIO-CUXKYVRBSA-N 1 1 387.499 2.648 40 0 GFABMO O=C(Cc1cccc(O)c1)N1CCC[C@@](O)(C[N@H+]2CCc3ccccc3C2)CC1 ZINC000257248036 206166909 /nfs/dbraw/zinc/16/69/09/206166909.db2.gz JBTKEMJPTBKULM-DEOSSOPVSA-N 1 1 394.515 2.737 40 0 GFABMO CNC(=O)c1sc2nc([C@@]3(C)CCC[N@@H+](Cc4cnccn4)C3)ccc2c1N ZINC000257264836 206169757 /nfs/dbraw/zinc/16/97/57/206169757.db2.gz LWESYJTUVNHEBJ-FQEVSTJZSA-N 1 1 396.520 2.582 40 0 GFABMO O[C@@H](COCCOc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000041690267 206194924 /nfs/dbraw/zinc/19/49/24/206194924.db2.gz HFNJROXTWOJDHL-GOSISDBHSA-N 1 1 392.446 2.543 40 0 GFABMO CC(C)N1C[C@]2(CC[N@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306128866 206199546 /nfs/dbraw/zinc/19/95/46/206199546.db2.gz HNAFCHVOAVCMTJ-HXUWFJFHSA-N 1 1 387.505 2.518 40 0 GFABMO CC(C)N1C[C@]2(CC[N@@H+](Cc3ccncc3)C2)Oc2ccccc2S1(=O)=O ZINC000306128866 206199547 /nfs/dbraw/zinc/19/95/47/206199547.db2.gz HNAFCHVOAVCMTJ-HXUWFJFHSA-N 1 1 387.505 2.518 40 0 GFABMO Cc1ncsc1CN1CC2(C1)C[C@H](COc1ncccc1F)CC[N@@H+]2C ZINC000306132278 206201010 /nfs/dbraw/zinc/20/10/10/206201010.db2.gz LDNWWWVHUWUSNC-OAHLLOKOSA-N 1 1 376.501 2.961 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@@H]2C1 ZINC000306132734 206201388 /nfs/dbraw/zinc/20/13/88/206201388.db2.gz LQORPFSXRMOYIO-CABCVRRESA-N 1 1 394.504 2.600 40 0 GFABMO COc1ccc(OC)c(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1 ZINC000012121972 221153997 /nfs/dbraw/zinc/15/39/97/221153997.db2.gz OTHMCIUPMIVZAK-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)c1 ZINC000012121972 221154000 /nfs/dbraw/zinc/15/40/00/221154000.db2.gz OTHMCIUPMIVZAK-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO O[C@]1(c2ccc(F)cc2)CC[C@@H]2C[N@@H+](Cc3ccnc(N4CCCC4)n3)C[C@@H]21 ZINC000012124556 221155835 /nfs/dbraw/zinc/15/58/35/221155835.db2.gz BFFLNTCYXPQWCV-BUVFEPMLSA-N 1 1 382.483 2.946 40 0 GFABMO COCc1cc(N2CCOCC2)nc(C2=CC[N@H+](Cc3cccc(F)c3)CC2)n1 ZINC000072339649 536726443 /nfs/dbraw/zinc/72/64/43/536726443.db2.gz HCSZQVNSLPZNRL-UHFFFAOYSA-N 1 1 398.482 2.888 40 0 GFABMO COCc1cc(N2CCOCC2)nc(C2=CC[N@@H+](Cc3cccc(F)c3)CC2)n1 ZINC000072339649 536726448 /nfs/dbraw/zinc/72/64/48/536726448.db2.gz HCSZQVNSLPZNRL-UHFFFAOYSA-N 1 1 398.482 2.888 40 0 GFABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c(C)n1 ZINC000019719829 570210975 /nfs/dbraw/zinc/21/09/75/570210975.db2.gz MVNHBXSGMNVMFE-INIZCTEOSA-N 1 1 380.496 2.981 40 0 GFABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c(C)n1 ZINC000019719829 570210977 /nfs/dbraw/zinc/21/09/77/570210977.db2.gz MVNHBXSGMNVMFE-INIZCTEOSA-N 1 1 380.496 2.981 40 0 GFABMO Cc1ccc(OCC2(O)CC[NH+](CC(=O)NCc3ccccc3)CC2)c(C)c1 ZINC000585272462 570242570 /nfs/dbraw/zinc/24/25/70/570242570.db2.gz IXZXPRKXNIOAPV-UHFFFAOYSA-N 1 1 382.504 2.826 40 0 GFABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585282309 570250131 /nfs/dbraw/zinc/25/01/31/570250131.db2.gz DFGLTBIITFEDGS-NHCUHLMSSA-N 1 1 389.515 2.632 40 0 GFABMO CC(C)(C)[C@H]1CC[C@](O)(C[N@H+]2CC[C@@H]3[C@H](C2)CCCCN3CC(N)=O)CC1 ZINC000585284706 570253960 /nfs/dbraw/zinc/25/39/60/570253960.db2.gz VJLBQEXHEHTEPC-PSHVLCQKSA-N 1 1 379.589 2.616 40 0 GFABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000072227274 570318980 /nfs/dbraw/zinc/31/89/80/570318980.db2.gz CHECZOLRODREAC-JKSUJKDBSA-N 1 1 377.238 2.882 40 0 GFABMO CCOc1cc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)ccc1OC ZINC000022931413 570379456 /nfs/dbraw/zinc/37/94/56/570379456.db2.gz VIZHKANVPOWOJN-UHFFFAOYSA-N 1 1 385.508 2.823 40 0 GFABMO CCOc1cc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)ccc1OC ZINC000022931413 570379458 /nfs/dbraw/zinc/37/94/58/570379458.db2.gz VIZHKANVPOWOJN-UHFFFAOYSA-N 1 1 385.508 2.823 40 0 GFABMO CC1(C)[C@H]2C[C@@H]1C(COC[C@@H](O)C[NH+]1CCN(c3nccs3)CC1)=CC2 ZINC000195563888 570843770 /nfs/dbraw/zinc/84/37/70/570843770.db2.gz DASNRJNGYIFZAE-FGTMMUONSA-N 1 1 377.554 2.635 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CCC[C@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 ZINC000585100710 570925255 /nfs/dbraw/zinc/92/52/55/570925255.db2.gz UKRVQQIEBXUZRS-NRFANRHFSA-N 1 1 390.528 2.507 40 0 GFABMO COc1c(C)cccc1C[N@H+]1CC[C@@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235917 570966048 /nfs/dbraw/zinc/96/60/48/570966048.db2.gz JPEZZPFTMQJJPW-GOSISDBHSA-N 1 1 380.492 2.688 40 0 GFABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3ccncc3)C2)no1 ZINC000019405417 570983332 /nfs/dbraw/zinc/98/33/32/570983332.db2.gz ZACNMDDMDJYBHA-SFHVURJKSA-N 1 1 377.448 2.774 40 0 GFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N4CCCCCC4)ccc3c(=O)n2CC1 ZINC000019448605 570985092 /nfs/dbraw/zinc/98/50/92/570985092.db2.gz PLBYWCHVXCXYIM-UHFFFAOYSA-N 1 1 382.508 2.679 40 0 GFABMO C[C@H](Cc1ccc2c(c1)OCO2)C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019456823 570987296 /nfs/dbraw/zinc/98/72/96/570987296.db2.gz SYDAEWCUVSDSSI-LJQANCHMSA-N 1 1 397.519 2.823 40 0 GFABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000019496193 570989296 /nfs/dbraw/zinc/98/92/96/570989296.db2.gz OZOZBCWDVAWQBC-UZLBHIALSA-N 1 1 389.515 2.948 40 0 GFABMO CCc1ccc(C[NH+]2CCN(c3ccccc3[C@H](O)c3nccn3C)CC2)o1 ZINC000019522922 570995450 /nfs/dbraw/zinc/99/54/50/570995450.db2.gz OOKXPWCJGBUJIA-NRFANRHFSA-N 1 1 380.492 2.979 40 0 GFABMO CCOc1cc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2C)ccc1OC ZINC000019531895 570998987 /nfs/dbraw/zinc/99/89/87/570998987.db2.gz WSFZGMSLSWGTDR-VSOVRNOCSA-N 1 1 385.508 2.947 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654524 571022829 /nfs/dbraw/zinc/02/28/29/571022829.db2.gz JGJNGTGAODDZHX-MRXNPFEDSA-N 1 1 380.496 2.806 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654524 571022831 /nfs/dbraw/zinc/02/28/31/571022831.db2.gz JGJNGTGAODDZHX-MRXNPFEDSA-N 1 1 380.496 2.806 40 0 GFABMO CC(=O)N1CCC[C@H](c2nnc3n2CC[N@H+](Cc2ccc(C)c(C)c2)CC3)C1 ZINC000019709290 571033797 /nfs/dbraw/zinc/03/37/97/571033797.db2.gz HDDJUNGYZWDZMU-FQEVSTJZSA-N 1 1 381.524 2.679 40 0 GFABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3C(=O)c3cc(C4CCCCC4)no3)n2CC1 ZINC000019710774 571034606 /nfs/dbraw/zinc/03/46/06/571034606.db2.gz XPYHPVFIURQDGM-QGZVFWFLSA-N 1 1 398.511 2.779 40 0 GFABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 ZINC000019711007 571034727 /nfs/dbraw/zinc/03/47/27/571034727.db2.gz UTHIOONBXPXGNN-CQSZACIVSA-N 1 1 398.898 2.878 40 0 GFABMO CCOC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000038854196 205040617 /nfs/dbraw/zinc/04/06/17/205040617.db2.gz PZEMSYCPGGJHLH-GOSISDBHSA-N 1 1 376.472 2.839 40 0 GFABMO COc1cccc(C[N@H+]2C[C@@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000072343004 205329074 /nfs/dbraw/zinc/32/90/74/205329074.db2.gz VAVFHSYGOBHXAC-NBCNXNJRSA-N 1 1 399.491 2.622 40 0 GFABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)N2CCOCC2)n1 ZINC000072357633 205332381 /nfs/dbraw/zinc/33/23/81/205332381.db2.gz MBFQDGRJEISNMU-NRFANRHFSA-N 1 1 395.503 2.677 40 0 GFABMO COc1ccccc1Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)N2CCOCC2)n1 ZINC000072357633 205332383 /nfs/dbraw/zinc/33/23/83/205332383.db2.gz MBFQDGRJEISNMU-NRFANRHFSA-N 1 1 395.503 2.677 40 0 GFABMO CNc1cc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)nc(CN(C)C(C)=O)n1 ZINC000072370156 205335547 /nfs/dbraw/zinc/33/55/47/205335547.db2.gz FWWXEMZEECSGAQ-IBGZPJMESA-N 1 1 381.524 2.919 40 0 GFABMO Cc1ccc2oc(C(=O)N3CCC[C@H](c4nnc5n4CC[N@H+](C)CC5)C3)cc2c1 ZINC000072370932 205335741 /nfs/dbraw/zinc/33/57/41/205335741.db2.gz KREUTIFGXAHXRV-INIZCTEOSA-N 1 1 393.491 2.840 40 0 GFABMO O=c1[nH]c(-c2ccccn2)nc2c1CC[N@@H+](CCOCc1ccccc1)CC2 ZINC000072390488 205341478 /nfs/dbraw/zinc/34/14/78/205341478.db2.gz LEDWFZSMNKLCTG-UHFFFAOYSA-N 1 1 376.460 2.862 40 0 GFABMO CCOc1ccccc1C(=O)NCCn1nc([C@@H]2CC[N@@H+](C)C2)c2cccnc21 ZINC000072391586 205341848 /nfs/dbraw/zinc/34/18/48/205341848.db2.gz OGFNJZPDBYAECI-MRXNPFEDSA-N 1 1 393.491 2.679 40 0 GFABMO CNC(=O)c1cnn2c1nccc2[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1 ZINC000257199606 206158051 /nfs/dbraw/zinc/15/80/51/206158051.db2.gz AABYJNPRDNFCBT-OAHLLOKOSA-N 1 1 388.475 2.950 40 0 GFABMO CNc1cc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(C[NH+](C)C)n(C)n3)CC2)ccn1 ZINC000257205959 206159213 /nfs/dbraw/zinc/15/92/13/206159213.db2.gz BBGHPFGSZXUNED-QAQDUYKDSA-N 1 1 398.555 2.964 40 0 GFABMO COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139385 206205096 /nfs/dbraw/zinc/20/50/96/206205096.db2.gz SVWCZTZYFSVKMK-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO CN(C)C(=O)c1cnn2c1nccc2[C@H]1CCC[N@@H+](Cc2ccc(F)cc2)C1 ZINC000306130012 206199852 /nfs/dbraw/zinc/19/98/52/206199852.db2.gz ITYQRUFEZCBNLH-INIZCTEOSA-N 1 1 381.455 2.950 40 0 GFABMO Cc1ncsc1CN1CC2(C1)C[C@@H](COc1ncccc1F)CC[N@@H+]2C ZINC000306132277 206200540 /nfs/dbraw/zinc/20/05/40/206200540.db2.gz LDNWWWVHUWUSNC-HNNXBMFYSA-N 1 1 376.501 2.961 40 0 GFABMO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137220 206203029 /nfs/dbraw/zinc/20/30/29/206203029.db2.gz QPIMXOQZBNOCAC-UYAOXDASSA-N 1 1 378.538 2.685 40 0 GFABMO COCC(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137220 206203032 /nfs/dbraw/zinc/20/30/32/206203032.db2.gz QPIMXOQZBNOCAC-UYAOXDASSA-N 1 1 378.538 2.685 40 0 GFABMO COCCn1c(C)cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1C ZINC000012121792 221155093 /nfs/dbraw/zinc/15/50/93/221155093.db2.gz VTIHDJRKBBVAAG-UHFFFAOYSA-N 1 1 393.491 2.867 40 0 GFABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051299 136183433 /nfs/dbraw/zinc/18/34/33/136183433.db2.gz CBHVOWKTBCYPQJ-IBGZPJMESA-N 1 1 376.453 2.522 40 0 GFABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051299 136183434 /nfs/dbraw/zinc/18/34/34/136183434.db2.gz CBHVOWKTBCYPQJ-IBGZPJMESA-N 1 1 376.453 2.522 40 0 GFABMO COC[C@@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218124863 553053306 /nfs/dbraw/zinc/05/33/06/553053306.db2.gz PKVFIFUSPJJAJM-OKZBNKHCSA-N 1 1 381.881 2.632 40 0 GFABMO O=C(NCCSc1nc[nH]n1)[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904101 553060818 /nfs/dbraw/zinc/06/08/18/553060818.db2.gz SVRJTQGUSPPBCE-AWEZNQCLSA-N 1 1 379.917 2.579 40 0 GFABMO O[C@@H]1C[C@@H](c2nc(-c3ccc(OC(F)(F)F)cc3)no2)[N@H+](C2CCOCC2)C1 ZINC000015674267 560230917 /nfs/dbraw/zinc/23/09/17/560230917.db2.gz FGZARWVYJBCKBM-HIFRSBDPSA-N 1 1 399.369 2.922 40 0 biogenic,in-vitro GFABMO Cc1cc2ncc(C[NH+](C)C)c([C@H]3CCCN3C(=O)Cc3c(C)noc3C)n2n1 ZINC000019743570 570213143 /nfs/dbraw/zinc/21/31/43/570213143.db2.gz PDUXXCMMIKIWJK-GOSISDBHSA-N 1 1 396.495 2.610 40 0 GFABMO Cc1[nH+]ccn1[C@H](C)CC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019746119 570213680 /nfs/dbraw/zinc/21/36/80/570213680.db2.gz CWWVLQPMTNVULF-CYBMUJFWSA-N 1 1 384.415 2.756 40 0 GFABMO CC(C)Nc1cc(N2CCc3ccc(S(N)(=O)=O)cc3C2)[nH+]c(C(C)C)n1 ZINC000329045525 570214746 /nfs/dbraw/zinc/21/47/46/570214746.db2.gz TWEZREILCPFNPW-UHFFFAOYSA-N 1 1 389.525 2.630 40 0 GFABMO O=C(C[NH+]1CCC(O)(COc2cccc(Cl)c2)CC1)NCc1ccccc1 ZINC000585274562 570243927 /nfs/dbraw/zinc/24/39/27/570243927.db2.gz WPFFQMAXHNZEDS-UHFFFAOYSA-N 1 1 388.895 2.862 40 0 GFABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccc(F)cc2)CC1 ZINC000585284651 570253986 /nfs/dbraw/zinc/25/39/86/570253986.db2.gz UJWIKRMWKWXCIP-SFTDATJTSA-N 1 1 389.515 2.632 40 0 GFABMO CC(C)[N@H+]1C[C@@H]2COCCN2C2(CN(Cc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC000604381875 570352737 /nfs/dbraw/zinc/35/27/37/570352737.db2.gz SLHKTBNKCRJATB-QGZVFWFLSA-N 1 1 399.457 2.564 40 0 biogenic,in-vitro GFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@H]2C)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566227 570850164 /nfs/dbraw/zinc/85/01/64/570850164.db2.gz CIHMSIAVMKQSTN-AUUYWEPGSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(CN2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566227 570850168 /nfs/dbraw/zinc/85/01/68/570850168.db2.gz CIHMSIAVMKQSTN-AUUYWEPGSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566227 570850170 /nfs/dbraw/zinc/85/01/70/570850170.db2.gz CIHMSIAVMKQSTN-AUUYWEPGSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(C[N@H+]2CCCC[C@H]2C)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566227 570850175 /nfs/dbraw/zinc/85/01/75/570850175.db2.gz CIHMSIAVMKQSTN-AUUYWEPGSA-N 1 1 387.480 2.741 40 0 GFABMO COCC[N@H+]1C[C@@H](COCC2CC2)C2(C1)CCN(Cc1cc(C)on1)CC2 ZINC000585102697 570931034 /nfs/dbraw/zinc/93/10/34/570931034.db2.gz BBGSWBSPXVMBOY-IBGZPJMESA-N 1 1 377.529 2.570 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)Cc2ccsc2)CC1 ZINC000585106314 570936281 /nfs/dbraw/zinc/93/62/81/570936281.db2.gz SJNYJINPLLQFOD-NXHRZFHOSA-N 1 1 389.565 2.518 40 0 GFABMO CCCC[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106204 570936435 /nfs/dbraw/zinc/93/64/35/570936435.db2.gz DLAFPSJFSHRTIS-CVEARBPZSA-N 1 1 375.538 2.509 40 0 GFABMO COc1cccc(S(=O)(=O)N2CC[C@H]3[C@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107897 570939721 /nfs/dbraw/zinc/93/97/21/570939721.db2.gz CQQMRIZIHURUTE-XLIONFOSSA-N 1 1 378.538 2.970 40 0 GFABMO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018620 570954897 /nfs/dbraw/zinc/95/48/97/570954897.db2.gz XOXQPYMPOQVPLJ-NRFANRHFSA-N 1 1 396.491 2.606 40 0 GFABMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2ncc3c(n2)CCN(C(C)=O)C3)cc1 ZINC000019018620 570954900 /nfs/dbraw/zinc/95/49/00/570954900.db2.gz XOXQPYMPOQVPLJ-NRFANRHFSA-N 1 1 396.491 2.606 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019021819 570955210 /nfs/dbraw/zinc/95/52/10/570955210.db2.gz OTMLXRGAQUSSGA-QGZVFWFLSA-N 1 1 381.455 2.696 40 0 GFABMO CC(=O)OCc1ccc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)o1 ZINC000019129286 570958039 /nfs/dbraw/zinc/95/80/39/570958039.db2.gz ZSTMKSHISULAOV-HNNXBMFYSA-N 1 1 383.452 2.656 40 0 GFABMO c1cc(C[N@@H+](CCN2CCOCC2)Cc2cccnc2)n(-c2cccnc2)c1 ZINC000019338667 570976500 /nfs/dbraw/zinc/97/65/00/570976500.db2.gz UIDVJAZGRZCYMI-UHFFFAOYSA-N 1 1 377.492 2.602 40 0 GFABMO c1cc(C[N@H+](CCN2CCOCC2)Cc2cccnc2)n(-c2cccnc2)c1 ZINC000019338667 570976502 /nfs/dbraw/zinc/97/65/02/570976502.db2.gz UIDVJAZGRZCYMI-UHFFFAOYSA-N 1 1 377.492 2.602 40 0 GFABMO O=C(C1CC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343552 570977323 /nfs/dbraw/zinc/97/73/23/570977323.db2.gz TZICAAVTDKSWOO-SFHVURJKSA-N 1 1 398.532 2.853 40 0 GFABMO O=C([C@@H]1CC[N@H+]1C1CCCCC1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000019374639 570981583 /nfs/dbraw/zinc/98/15/83/570981583.db2.gz DRKVSIFQKLHCON-IBGZPJMESA-N 1 1 382.508 2.568 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccc(F)cc3)[nH]c(=O)c2C1 ZINC000019448259 570984337 /nfs/dbraw/zinc/98/43/37/570984337.db2.gz BTSBVYBFTTXSNE-LJQANCHMSA-N 1 1 398.482 2.582 40 0 GFABMO CCN(CC)S(=O)(=O)N1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCC[N@H+]2C ZINC000019526466 570997190 /nfs/dbraw/zinc/99/71/90/570997190.db2.gz MDYBVRSZIQPJJL-VAMGGRTRSA-N 1 1 379.570 2.915 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c(OC)c1 ZINC000019552202 571001397 /nfs/dbraw/zinc/00/13/97/571001397.db2.gz UNWMUYPBVGVDMH-QGZVFWFLSA-N 1 1 392.459 2.839 40 0 GFABMO COc1cccc(OC)c1C[N@H+]1CC[C@H](c2nc(-c3ccncc3)cc(=O)[nH]2)C1 ZINC000019567015 571008001 /nfs/dbraw/zinc/00/80/01/571008001.db2.gz JZHPXLKVLVRKMY-INIZCTEOSA-N 1 1 392.459 2.839 40 0 GFABMO CNc1ncccc1C[N@@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000019583202 571013921 /nfs/dbraw/zinc/01/39/21/571013921.db2.gz IMWSWQBJCRPFGY-UHFFFAOYSA-N 1 1 390.447 2.998 40 0 GFABMO CNc1ncccc1C[N@H+]1CCc2[nH]c3cc(-c4ccoc4C)nn3c(=O)c2C1 ZINC000019583202 571013925 /nfs/dbraw/zinc/01/39/25/571013925.db2.gz IMWSWQBJCRPFGY-UHFFFAOYSA-N 1 1 390.447 2.998 40 0 GFABMO COc1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1OC ZINC000019590455 571017691 /nfs/dbraw/zinc/01/76/91/571017691.db2.gz HSCHTLIFZBLGOY-HNNXBMFYSA-N 1 1 396.491 2.502 40 0 GFABMO COCCOc1ccc(C[N@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)cc1 ZINC000019593684 571019850 /nfs/dbraw/zinc/01/98/50/571019850.db2.gz GHCCHZQMFCYIJW-MRXNPFEDSA-N 1 1 381.436 2.541 40 0 GFABMO O=c1c(-c2cccnc2)ccc2n1C[C@H]1C[C@@H]2C[N@@H+](Cc2ccc(CO)o2)C1 ZINC000020503263 575369838 /nfs/dbraw/zinc/36/98/38/575369838.db2.gz WWPZSEBPQGPVGO-DOTOQJQBSA-N 1 1 377.444 2.615 40 0 biogenic,in-vitro GFABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccccn2)C3)c(OCC)n1 ZINC000012089103 204371113 /nfs/dbraw/zinc/37/11/13/204371113.db2.gz ZRQLLEXZCAPFMM-AQKKSAQBSA-N 1 1 398.507 2.789 40 0 GFABMO CCn1c2ccccc2nc1N1CCC(C(=O)NC[C@H]2CCC[N@H+]2CC)CC1 ZINC000012116398 204372016 /nfs/dbraw/zinc/37/20/16/204372016.db2.gz XLTSBSUEIFNQBU-GOSISDBHSA-N 1 1 383.540 2.873 40 0 GFABMO COc1cc(C(=O)N2CCN(c3cc(C)[nH+]c(C)n3)CC2)c2ccccc2n1 ZINC000012325896 204397364 /nfs/dbraw/zinc/39/73/64/204397364.db2.gz YQJZSCNSNLGTNM-UHFFFAOYSA-N 1 1 377.448 2.613 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 ZINC000044902500 205089052 /nfs/dbraw/zinc/08/90/52/205089052.db2.gz POZYYUVFICOBPB-UHFFFAOYSA-N 1 1 398.488 2.791 40 0 GFABMO O=c1[nH]c(N2CCCCCC2)nc2c1C[N@@H+](Cc1ccc3nccnc3c1)CC2 ZINC000072389586 205342040 /nfs/dbraw/zinc/34/20/40/205342040.db2.gz OMWKBQVKWZIJJS-UHFFFAOYSA-N 1 1 390.491 2.652 40 0 GFABMO Cc1nc2ccccn2c1C[N@H+]1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000072395826 205344108 /nfs/dbraw/zinc/34/41/08/205344108.db2.gz ZLTULSGIQZDSNY-XXBNENTESA-N 1 1 388.471 2.802 40 0 GFABMO Cc1nc2ccccn2c1C[N@@H+]1C[C@H]2N(C)C(=O)c3ccccc3C(=O)[C@@]2(C)C1 ZINC000072395826 205344112 /nfs/dbraw/zinc/34/41/12/205344112.db2.gz ZLTULSGIQZDSNY-XXBNENTESA-N 1 1 388.471 2.802 40 0 GFABMO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000223864071 206007664 /nfs/dbraw/zinc/00/76/64/206007664.db2.gz PYLXZAPVIGRKGP-UHFFFAOYSA-N 1 1 399.472 2.754 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)ncn3C(C)C)[C@H]1O ZINC000257199831 206158282 /nfs/dbraw/zinc/15/82/82/206158282.db2.gz AAYSKTKXYUNUQC-VAMGGRTRSA-N 1 1 381.480 2.959 40 0 GFABMO CC(=O)Nc1cccc([C@@H]2C[N@H+](C3CCOCC3)C[C@]23CCCCC(=O)N3)c1 ZINC000257332759 206181590 /nfs/dbraw/zinc/18/15/90/206181590.db2.gz XYNLQMULMRRZEY-RBBKRZOGSA-N 1 1 385.508 2.652 40 0 GFABMO COCC[N@H+]1CCC[C@](C)(c2ccc3c(N)c(C(=O)N(C)C)sc3n2)C1 ZINC000257331153 206180175 /nfs/dbraw/zinc/18/01/75/206180175.db2.gz XRPQAISIBXEUIT-IBGZPJMESA-N 1 1 376.526 2.580 40 0 GFABMO COc1ccc(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)n[nH]2)c(OC)c1 ZINC000257326390 206180632 /nfs/dbraw/zinc/18/06/32/206180632.db2.gz WXAYLTMAMOWBFC-CTNGQTDRSA-N 1 1 384.480 2.841 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306144181 206206567 /nfs/dbraw/zinc/20/65/67/206206567.db2.gz YYCRLPCVRVYQQC-WBVHZDCISA-N 1 1 398.532 2.597 40 0 GFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3)C[C@@H]1C2 ZINC000306123745 206196978 /nfs/dbraw/zinc/19/69/78/206196978.db2.gz AVNCADMABUBCKL-PMACEKPBSA-N 1 1 387.487 2.512 40 0 GFABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cc(C)cc(C)c4)C[C@H]3S2(=O)=O)cs1 ZINC000306125349 206197235 /nfs/dbraw/zinc/19/72/35/206197235.db2.gz CNAAZWBNQAPSDB-PKOBYXMFSA-N 1 1 391.562 2.714 40 0 GFABMO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@H+](Cc2cccc(F)c2)C1 ZINC000306124291 206197739 /nfs/dbraw/zinc/19/77/39/206197739.db2.gz BMCOEOCWSLOGLT-QFIPXVFZSA-N 1 1 376.435 2.992 40 0 GFABMO C[N@H+]1CC[C@H](COc2ccccn2)CC12CN(C(=O)c1ccc3c(c1)COC3)C2 ZINC000306130148 206198819 /nfs/dbraw/zinc/19/88/19/206198819.db2.gz IXMTUWWPXBUGNI-KRWDZBQOSA-N 1 1 393.487 2.727 40 0 GFABMO Fc1ccc(C[N@H+]2CC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)cc1 ZINC000306131809 206201841 /nfs/dbraw/zinc/20/18/41/206201841.db2.gz KQAVRXRYFIRLOA-QGZVFWFLSA-N 1 1 381.455 2.695 40 0 GFABMO Cc1cc(-c2cnc(C)nc2C2CC[NH+](CC(=O)NCc3ccco3)CC2)on1 ZINC000012118331 221153088 /nfs/dbraw/zinc/15/30/88/221153088.db2.gz LJZPZOHLYJDFQM-UHFFFAOYSA-N 1 1 395.463 2.837 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347336 136168984 /nfs/dbraw/zinc/16/89/84/136168984.db2.gz JJNOEIXHULFSFZ-OAHLLOKOSA-N 1 1 395.507 2.935 40 0 GFABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4CCC[C@@H](C)C4)[nH]c3=O)C2)cc1 ZINC000072347336 136168985 /nfs/dbraw/zinc/16/89/85/136168985.db2.gz JJNOEIXHULFSFZ-OAHLLOKOSA-N 1 1 395.507 2.935 40 0 GFABMO C[C@@H](CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1)c1ccccc1 ZINC000072394676 136169266 /nfs/dbraw/zinc/16/92/66/136169266.db2.gz IRUCFYGRANCSFQ-HKUYNNGSSA-N 1 1 382.508 2.590 40 0 GFABMO COCCOc1cc(C[N@@H+](C)C[C@H](O)COC2CCCCC2)ccc1OC ZINC000585262510 570230474 /nfs/dbraw/zinc/23/04/74/570230474.db2.gz HJBIKJFSRFNXRK-SFHVURJKSA-N 1 1 381.513 2.862 40 0 GFABMO CCOC(=O)C1=C(C[N@@H+]2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1OC ZINC000057731188 570371616 /nfs/dbraw/zinc/37/16/16/570371616.db2.gz CFUBRAONLUWDQV-LIRRHRJNSA-N 1 1 387.480 2.598 40 0 GFABMO CCOC(=O)C1=C(C[N@H+]2CCC[C@H](C)C2)NC(=O)N[C@H]1c1ccccc1OC ZINC000057731188 570371618 /nfs/dbraw/zinc/37/16/18/570371618.db2.gz CFUBRAONLUWDQV-LIRRHRJNSA-N 1 1 387.480 2.598 40 0 GFABMO Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC[NH+](C)C)ccc2Cl)cc1 ZINC000013673149 570771199 /nfs/dbraw/zinc/77/11/99/570771199.db2.gz OXSITNCJXNYRIE-UHFFFAOYSA-N 1 1 395.912 2.741 40 0 GFABMO CCOC(=O)c1sc(NC(=O)C[NH+](C)C)c(C(=O)Nc2ccccc2)c1C ZINC000014152891 570877785 /nfs/dbraw/zinc/87/77/85/570877785.db2.gz ZTBRJTDSSVUNPF-UHFFFAOYSA-N 1 1 389.477 2.986 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106186 570935856 /nfs/dbraw/zinc/93/58/56/570935856.db2.gz AXTIDFVLJACFFE-AHRSYUTCSA-N 1 1 399.535 2.536 40 0 GFABMO COCCOCC(=O)N[C@@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC(F)(F)C3)C[C@@H]21 ZINC000585109696 570938153 /nfs/dbraw/zinc/93/81/53/570938153.db2.gz IXUPCBDTXKUMBJ-CMKODMSKSA-N 1 1 394.462 2.581 40 0 GFABMO C[C@@H]1CC[C@H](C(=O)N2CCc3[nH]nc(-c4cccc5c4C[N@@H+](C)C5)c3CC2)O1 ZINC000585110313 570939115 /nfs/dbraw/zinc/93/91/15/570939115.db2.gz DOBQAZIWDVCFED-JLTOFOAXSA-N 1 1 380.492 2.517 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019078794 570955847 /nfs/dbraw/zinc/95/58/47/570955847.db2.gz BJYDGOBOSGTUJJ-QRWLVFNGSA-N 1 1 396.491 2.604 40 0 GFABMO Cc1ccc(O[C@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019210859 570960615 /nfs/dbraw/zinc/96/06/15/570960615.db2.gz PVFLDTCQRHDXHJ-QZTJIDSGSA-N 1 1 394.519 2.946 40 0 GFABMO Cc1nc(C(=O)N2CCCCC[C@@H]3[C@@H]2[C@H](c2cccc(F)c2)C[N@@H+]3C)cc(=O)[nH]1 ZINC000019240920 570969317 /nfs/dbraw/zinc/96/93/17/570969317.db2.gz CTHYWGNCPUYKGA-DSKINZAPSA-N 1 1 398.482 2.700 40 0 GFABMO CCC(=O)N1C[C@H](c2ccc(F)cc2)[C@H]2C[N@@H+](CC(=O)N(CC)CC)CC[C@H]21 ZINC000019499187 570991559 /nfs/dbraw/zinc/99/15/59/570991559.db2.gz JXXBTDSMEFYECC-VAMGGRTRSA-N 1 1 389.515 2.720 40 0 GFABMO CCOc1cc2c(cc1C[N@@H+]1CCC[C@]3(C1)OCCc1cnc(C)nc13)OCO2 ZINC000019532475 570999176 /nfs/dbraw/zinc/99/91/76/570999176.db2.gz FMGFXWMJRFCEMM-JOCHJYFZSA-N 1 1 397.475 2.976 40 0 GFABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@]3(C1)OCCc1cnc(C)nc13)OCO2 ZINC000019532475 570999180 /nfs/dbraw/zinc/99/91/80/570999180.db2.gz FMGFXWMJRFCEMM-JOCHJYFZSA-N 1 1 397.475 2.976 40 0 GFABMO COc1cc(C[N@H+]2C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C2)cc(OC)c1OC ZINC000019549908 571000435 /nfs/dbraw/zinc/00/04/35/571000435.db2.gz GWVPVRAGRRXXMC-JKSBSHDWSA-N 1 1 384.476 2.837 40 0 GFABMO Cc1nc(-c2ccc(CNC(=O)CC[N@@H+]3CCC[C@H](C)C3)cc2)ccc1C(N)=O ZINC000019700576 571031510 /nfs/dbraw/zinc/03/15/10/571031510.db2.gz URSJLCVBGPETGS-INIZCTEOSA-N 1 1 394.519 2.894 40 0 GFABMO Cc1c2ccccc2oc1C(=O)N1CCc2nnc([C@H]3CCC[N@H+](C)C3)n2CC1 ZINC000019709254 571033724 /nfs/dbraw/zinc/03/37/24/571033724.db2.gz YUMDQKBIPJBUGP-INIZCTEOSA-N 1 1 393.491 2.840 40 0 GFABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)CCc2c[nH]c4ccccc24)C3)C1 ZINC000019711111 571035105 /nfs/dbraw/zinc/03/51/05/571035105.db2.gz MPOJNVWXALYWME-QGZVFWFLSA-N 1 1 392.507 2.544 40 0 GFABMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000096058472 571098433 /nfs/dbraw/zinc/09/84/33/571098433.db2.gz FXEJWHSMKKIATG-OALUTQOASA-N 1 1 376.547 2.926 40 0 GFABMO COc1ccc(C(=O)NC2CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)cc1 ZINC000035312019 204167402 /nfs/dbraw/zinc/16/74/02/204167402.db2.gz WIPZGTGLHBNRTH-UHFFFAOYSA-N 1 1 387.524 2.681 40 0 GFABMO C[N@@H+]1CCc2nnc([C@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)n2CC1 ZINC000072370944 205336094 /nfs/dbraw/zinc/33/60/94/205336094.db2.gz NLGNGJCSZHVKDC-INIZCTEOSA-N 1 1 399.514 2.589 40 0 GFABMO CC[NH+]1CCN(C(=O)CCc2nc(-c3ccc(Br)cc3)no2)CC1 ZINC000225820756 206079406 /nfs/dbraw/zinc/07/94/06/206079406.db2.gz BNPDOTXYIOUYAC-UHFFFAOYSA-N 1 1 393.285 2.596 40 0 GFABMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@@H]12 ZINC000247503597 206133214 /nfs/dbraw/zinc/13/32/14/206133214.db2.gz GGCXBVIXFUQBIV-MOPGFXCFSA-N 1 1 376.547 2.926 40 0 GFABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145108 206207573 /nfs/dbraw/zinc/20/75/73/206207573.db2.gz ZYKYTVFMTKOQFP-CTNGQTDRSA-N 1 1 383.517 2.750 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000306124313 206196728 /nfs/dbraw/zinc/19/67/28/206196728.db2.gz BMMYKKYWDIUCNR-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccccn4)C[C@H]32)cc1 ZINC000306124313 206196733 /nfs/dbraw/zinc/19/67/33/206196733.db2.gz BMMYKKYWDIUCNR-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO Cc1nc(CN2C[C@H]3C[N@@H+](Cc4cc(C)cc(C)c4)C[C@H]3S2(=O)=O)cs1 ZINC000306125347 206197781 /nfs/dbraw/zinc/19/77/81/206197781.db2.gz CNAAZWBNQAPSDB-IEBWSBKVSA-N 1 1 391.562 2.714 40 0 GFABMO Cc1ncsc1C[N@H+]1C[C@@H]2Cn3c(nnc3C(=O)Nc3ccccc3)C[C@@H]2C1 ZINC000306132736 206200288 /nfs/dbraw/zinc/20/02/88/206200288.db2.gz LQORPFSXRMOYIO-HUUCEWRRSA-N 1 1 394.504 2.600 40 0 GFABMO C[N@H+]1CC[C@@H](COCc2ccccn2)CC12CN(C(=O)c1cccc(O)c1)C2 ZINC000306131715 206200474 /nfs/dbraw/zinc/20/04/74/206200474.db2.gz KNPSTXLDZQRHPC-QGZVFWFLSA-N 1 1 381.476 2.540 40 0 GFABMO C[N@H+](Cc1cc(CC2(NCc3cccnc3)COC2)no1)Cc1ccccc1 ZINC000067898127 560050030 /nfs/dbraw/zinc/05/00/30/560050030.db2.gz BYRKSFRYFNGICA-UHFFFAOYSA-N 1 1 378.476 2.803 40 0 biogenic,in-vitro GFABMO C[N@@H+](Cc1cc(CC2(NCc3cccnc3)COC2)no1)Cc1ccccc1 ZINC000067898127 560050032 /nfs/dbraw/zinc/05/00/32/560050032.db2.gz BYRKSFRYFNGICA-UHFFFAOYSA-N 1 1 378.476 2.803 40 0 biogenic,in-vitro GFABMO CC(C)(O)c1cc(CC2([NH2+]Cc3ccc(OC(F)(F)F)cc3)COC2)no1 ZINC000067897899 560050042 /nfs/dbraw/zinc/05/00/42/560050042.db2.gz QANSXHMBKKYFEK-UHFFFAOYSA-N 1 1 386.370 2.902 40 0 biogenic,in-vitro GFABMO C[C@@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328989608 570210738 /nfs/dbraw/zinc/21/07/38/570210738.db2.gz IKBGFJCCWDJOBO-AWEZNQCLSA-N 1 1 382.508 2.937 40 0 GFABMO C[C@@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328989608 570210740 /nfs/dbraw/zinc/21/07/40/570210740.db2.gz IKBGFJCCWDJOBO-AWEZNQCLSA-N 1 1 382.508 2.937 40 0 GFABMO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CC[N@H+](C)C2 ZINC000019752991 570215887 /nfs/dbraw/zinc/21/58/87/570215887.db2.gz UNSLMWVOPARBLM-GOSISDBHSA-N 1 1 393.535 2.845 40 0 GFABMO CNc1nc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019752991 570215889 /nfs/dbraw/zinc/21/58/89/570215889.db2.gz UNSLMWVOPARBLM-GOSISDBHSA-N 1 1 393.535 2.845 40 0 GFABMO CN(CCO)C(=O)c1cc([C@H]2C[N@@H+](C3CCCC3)CCO2)nc2ccccc21 ZINC000019754427 570216320 /nfs/dbraw/zinc/21/63/20/570216320.db2.gz GRXJJGBGBGLWBA-OAQYLSRUSA-N 1 1 383.492 2.615 40 0 GFABMO CN(CCO)C(=O)c1cc([C@H]2C[N@H+](C3CCCC3)CCO2)nc2ccccc21 ZINC000019754427 570216322 /nfs/dbraw/zinc/21/63/22/570216322.db2.gz GRXJJGBGBGLWBA-OAQYLSRUSA-N 1 1 383.492 2.615 40 0 GFABMO O=C(c1cscn1)N1C[C@@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000096244899 570224251 /nfs/dbraw/zinc/22/42/51/570224251.db2.gz DZGUPYCGOPTRNK-XLIONFOSSA-N 1 1 382.533 2.564 40 0 GFABMO O=C(c1cscn1)N1C[C@@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@H]2C1 ZINC000096244899 570224254 /nfs/dbraw/zinc/22/42/54/570224254.db2.gz DZGUPYCGOPTRNK-XLIONFOSSA-N 1 1 382.533 2.564 40 0 GFABMO CC(=O)NCCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc(C)c3)C2)cc1 ZINC000585274029 570243461 /nfs/dbraw/zinc/24/34/61/570243461.db2.gz YRYTUBIUUBIJST-GOTSBHOMSA-N 1 1 398.503 2.524 40 0 GFABMO FC(F)(F)c1nc(-c2cncc([C@H]3CCC[N@@H+](Cc4cncnc4)C3)n2)no1 ZINC000585291009 570259520 /nfs/dbraw/zinc/25/95/20/570259520.db2.gz ZCIAFSDBRWMTRT-LBPRGKRZSA-N 1 1 391.357 2.715 40 0 GFABMO CN1CC[NH+](CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 ZINC000020460402 570260707 /nfs/dbraw/zinc/26/07/07/570260707.db2.gz YJMYPTYWBSGWTN-UHFFFAOYSA-N 1 1 392.547 2.617 40 0 GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@@H](C(C)=O)C2 ZINC000001493089 570264071 /nfs/dbraw/zinc/26/40/71/570264071.db2.gz DGSADVAMZWFCMP-JOKRRQDLSA-N 1 1 381.472 2.505 40 0 GFABMO COc1ccc(/C=C(/C(=O)NCCC[NH+]2CCN(C)CC2)c2ccccc2)cc1 ZINC000022935053 570338370 /nfs/dbraw/zinc/33/83/70/570338370.db2.gz CLJCQQAOLRYJIZ-FCDQGJHFSA-N 1 1 393.531 2.990 40 0 GFABMO CCOC(=O)C1=C(C[N@@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731100 570371767 /nfs/dbraw/zinc/37/17/67/570371767.db2.gz CIHMSIAVMKQSTN-LIRRHRJNSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1=C(C[N@H+]2CCCC[C@@H]2C)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731100 570371768 /nfs/dbraw/zinc/37/17/68/570371768.db2.gz CIHMSIAVMKQSTN-LIRRHRJNSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(C[N@@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731100 570371772 /nfs/dbraw/zinc/37/17/72/570371772.db2.gz CIHMSIAVMKQSTN-LIRRHRJNSA-N 1 1 387.480 2.741 40 0 GFABMO CCOC(=O)C1C(C[N@H+]2CCCC[C@@H]2C)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000057731100 570371775 /nfs/dbraw/zinc/37/17/75/570371775.db2.gz CIHMSIAVMKQSTN-LIRRHRJNSA-N 1 1 387.480 2.741 40 0 GFABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccccc2)cc1 ZINC000257243686 570488238 /nfs/dbraw/zinc/48/82/38/570488238.db2.gz IICXXMHWJUPQTL-LJQANCHMSA-N 1 1 381.476 2.871 40 0 GFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@@H]4C3)c2n1 ZINC000257367380 570914862 /nfs/dbraw/zinc/91/48/62/570914862.db2.gz DWDVNOSIESYJLT-LRXVAGHRSA-N 1 1 377.492 2.779 40 0 GFABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)C1CC(F)C1)CC2 ZINC000585103465 570931937 /nfs/dbraw/zinc/93/19/37/570931937.db2.gz GVNLIOTYWKNFAY-ACBHZAAOSA-N 1 1 375.488 2.659 40 0 GFABMO CC[C@H](C)C[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000585105995 570935398 /nfs/dbraw/zinc/93/53/98/570935398.db2.gz BCPIHPIOBLUGAV-DBVUQKKJSA-N 1 1 383.536 2.694 40 0 GFABMO COc1c(C)cccc1C[N@H+]1CC[C@H](c2ncc3c(n2)CCN(C(C)=O)C3)C1 ZINC000019235919 570966063 /nfs/dbraw/zinc/96/60/63/570966063.db2.gz JPEZZPFTMQJJPW-SFHVURJKSA-N 1 1 380.492 2.688 40 0 GFABMO COc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)C[C@H]2c2cc(=O)[nH]c(C)n2)cc1 ZINC000019285518 570969068 /nfs/dbraw/zinc/96/90/68/570969068.db2.gz GZHKUSHNFCNASF-VQTJNVASSA-N 1 1 376.460 2.865 40 0 GFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000019371788 570981059 /nfs/dbraw/zinc/98/10/59/570981059.db2.gz MVCGPTKTIMCOBS-GOSISDBHSA-N 1 1 386.565 2.803 40 0 GFABMO CCc1noc(CC)c1C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019521315 570994647 /nfs/dbraw/zinc/99/46/47/570994647.db2.gz HILROKNNGKKZHC-UHFFFAOYSA-N 1 1 383.496 2.597 40 0 GFABMO CCOc1cc2c(cc1C[N@@H+]1CCC[C@@]3(C1)OCCc1cnc(C)nc13)OCO2 ZINC000019532473 570999069 /nfs/dbraw/zinc/99/90/69/570999069.db2.gz FMGFXWMJRFCEMM-QFIPXVFZSA-N 1 1 397.475 2.976 40 0 GFABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@]3(C1)OCCc1cnc(C)nc13)OCO2 ZINC000019532473 570999072 /nfs/dbraw/zinc/99/90/72/570999072.db2.gz FMGFXWMJRFCEMM-QFIPXVFZSA-N 1 1 397.475 2.976 40 0 GFABMO CCOc1cc(C[N@H+]2CCC[C@H](c3cc(=O)nc4n3CCC4)C2)ccc1OC ZINC000019531972 570999309 /nfs/dbraw/zinc/99/93/09/570999309.db2.gz FKCAAKYMRFWKRB-KRWDZBQOSA-N 1 1 383.492 2.976 40 0 GFABMO COc1ccc(F)c(C[N@H+]2CC[C@@H](c3cc(=O)[nH]c(-c4ccncc4)n3)C2)c1 ZINC000019551433 571000851 /nfs/dbraw/zinc/00/08/51/571000851.db2.gz GERHLSAGDLBMHT-OAHLLOKOSA-N 1 1 380.423 2.969 40 0 GFABMO C=Cn1ncc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019554357 571002420 /nfs/dbraw/zinc/00/24/20/571002420.db2.gz VPAHGOQKBANHBD-KRWDZBQOSA-N 1 1 382.512 2.745 40 0 GFABMO COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@H]1Cc1ccccc1 ZINC000019567128 571008541 /nfs/dbraw/zinc/00/85/41/571008541.db2.gz DPBOZEFYYMSDBZ-HSALFYBXSA-N 1 1 382.504 2.566 40 0 GFABMO COc1cccc2cc(C(=O)N3CCC(O)(Cn4cc[nH+]c4C)CC3)c(C)nc21 ZINC000019582597 571014213 /nfs/dbraw/zinc/01/42/13/571014213.db2.gz CUPIOSQHQZCLTF-UHFFFAOYSA-N 1 1 394.475 2.724 40 0 GFABMO Cc1c(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4cc(F)ccc4[nH]3)C2)cnn1C ZINC000019715579 571037407 /nfs/dbraw/zinc/03/74/07/571037407.db2.gz BEZWNEMGPUYTDM-CQSZACIVSA-N 1 1 384.459 2.637 40 0 GFABMO O=C(C[NH+]1CCC2(CC1)NC(=O)c1ccccc1O2)N1CCC[C@@H]2CCCC[C@H]21 ZINC000012145792 204375453 /nfs/dbraw/zinc/37/54/53/204375453.db2.gz LQVWFXMHUDNVNB-PKOBYXMFSA-N 1 1 397.519 2.782 40 0 GFABMO Cc1sc2nc(C)n(C3CC[NH+](CC(=O)N4CCCC4)CC3)c(=O)c2c1C ZINC000012145412 204376138 /nfs/dbraw/zinc/37/61/38/204376138.db2.gz ABICAYJSYAYXTD-UHFFFAOYSA-N 1 1 388.537 2.643 40 0 GFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(F)cc1 ZINC000012366328 204399887 /nfs/dbraw/zinc/39/98/87/204399887.db2.gz BBHHPFQEFMGBND-QIDMFYOTSA-N 1 1 383.467 2.818 40 0 GFABMO Cc1ccc(C)c(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000036634030 205020472 /nfs/dbraw/zinc/02/04/72/205020472.db2.gz DCJRPLYPNUFMIC-NRFANRHFSA-N 1 1 377.488 2.753 40 0 GFABMO CCOC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)CC1 ZINC000044786614 205085974 /nfs/dbraw/zinc/08/59/74/205085974.db2.gz PZEMSYCPGGJHLH-SFHVURJKSA-N 1 1 376.472 2.839 40 0 GFABMO C[NH+](C)Cc1ccc(C[N@@H+]2CCc3c(=O)n4[n-]c(C5CC5)cc4nc3C2)cc1 ZINC000072339352 205327252 /nfs/dbraw/zinc/32/72/52/205327252.db2.gz CSNNMNDPZRYKJZ-UHFFFAOYSA-N 1 1 377.492 2.932 40 0 GFABMO C[NH+](C)Cc1ccc(C[N@H+]2CCc3c(=O)n4[n-]c(C5CC5)cc4nc3C2)cc1 ZINC000072339352 205327256 /nfs/dbraw/zinc/32/72/56/205327256.db2.gz CSNNMNDPZRYKJZ-UHFFFAOYSA-N 1 1 377.492 2.932 40 0 GFABMO COc1cc(C[NH+]2CCC(O)(c3cccnc3F)CC2)cc(OC)c1OC ZINC000072339996 205328221 /nfs/dbraw/zinc/32/82/21/205328221.db2.gz HVQMBSPTUKWZDU-UHFFFAOYSA-N 1 1 376.428 2.730 40 0 GFABMO COc1cc2c(cc1CN1CCc3nnc([C@H]4CCC[NH2+]C4)n3CC1)CCCC2 ZINC000072370901 205335522 /nfs/dbraw/zinc/33/55/22/205335522.db2.gz NWVIHVDQOUHBOW-IBGZPJMESA-N 1 1 395.551 2.691 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@@H]2c2cncc(-n3cc[nH+]c3C)n2)cc1 ZINC000072378376 205339713 /nfs/dbraw/zinc/33/97/13/205339713.db2.gz RVUBLNKIIMCPNY-LJQANCHMSA-N 1 1 377.448 2.886 40 0 GFABMO O=C(c1cc([C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)n[nH]1)N1CCOCC1 ZINC000072380540 205340175 /nfs/dbraw/zinc/34/01/75/205340175.db2.gz BRKRDJGNNGQUJH-INIZCTEOSA-N 1 1 388.899 2.915 40 0 GFABMO C[C@@H]1Cc2cc([C@H](O)C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc2N1S(C)(=O)=O ZINC000012181007 205870784 /nfs/dbraw/zinc/87/07/84/205870784.db2.gz FFGZQGVHUYYKTP-VWFIUDSGSA-N 1 1 392.565 2.943 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224571736 206024210 /nfs/dbraw/zinc/02/42/10/206024210.db2.gz YPDBJWJOEICICK-KRWDZBQOSA-N 1 1 384.476 2.611 40 0 GFABMO CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 ZINC000257284683 206173663 /nfs/dbraw/zinc/17/36/63/206173663.db2.gz PDUKEHYXRBOHBE-NVXWUHKLSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 ZINC000257284683 206173666 /nfs/dbraw/zinc/17/36/66/206173666.db2.gz PDUKEHYXRBOHBE-NVXWUHKLSA-N 1 1 383.286 2.658 40 0 GFABMO Cc1ncc(-c2ccc(C[C@H]3CCC[N@@H+](CC4(O)CCOCC4)C3)cn2)n1C ZINC000257223951 206162984 /nfs/dbraw/zinc/16/29/84/206162984.db2.gz DZQJMDIUUBGDLH-LJQANCHMSA-N 1 1 384.524 2.587 40 0 GFABMO COc1ccc(OC)c(-c2cc(C(=O)N3C[C@@H]4C[C@@]5(C)[C@H](CCC[C@@H]35)[NH2+]4)n[nH]2)c1 ZINC000257243193 206166751 /nfs/dbraw/zinc/16/67/51/206166751.db2.gz IFVYXOLJPYUCHN-RQNJPMPDSA-N 1 1 396.491 2.839 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@H]1O ZINC000257264723 206169059 /nfs/dbraw/zinc/16/90/59/206169059.db2.gz LVUKOMCKMSJCOB-BPLDGKMQSA-N 1 1 393.369 2.581 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2ccn(C)n2)C1 ZINC000257329276 206180497 /nfs/dbraw/zinc/18/04/97/206180497.db2.gz XJDYGICVASPXDH-INIZCTEOSA-N 1 1 395.511 2.928 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2ccn(C)n2)C1 ZINC000257329276 206180499 /nfs/dbraw/zinc/18/04/99/206180499.db2.gz XJDYGICVASPXDH-INIZCTEOSA-N 1 1 395.511 2.928 40 0 GFABMO Cc1ccc(C)c(C[N@H+]2C[C@H]3OC[C@@H](CNC(=O)C4CC(F)(F)C4)[C@H]3C2)c1 ZINC000306138551 206204460 /nfs/dbraw/zinc/20/44/60/206204460.db2.gz SAMJANJDEUKEMS-GUDVDZBRSA-N 1 1 378.463 2.912 40 0 GFABMO CC(C)c1ccc(C[N@@H+]2C[C@@H]3c4nnc(C(=O)NC5CC5)n4CC[C@@H]3C2)cc1 ZINC000306140557 206205185 /nfs/dbraw/zinc/20/51/85/206205185.db2.gz UXELOJHQQSGGEJ-MJGOQNOKSA-N 1 1 379.508 2.913 40 0 GFABMO Cc1cccc(C[N@H+]2C[C@@H]3Cn4c(nnc4C(=O)Nc4ccccc4)C[C@@H]3C2)n1 ZINC000306138725 206205499 /nfs/dbraw/zinc/20/54/99/206205499.db2.gz SFUASXMBNIUGOK-IAGOWNOFSA-N 1 1 388.475 2.538 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306134746 206202336 /nfs/dbraw/zinc/20/23/36/206202336.db2.gz NXBRFGVAZMRDIU-IAGOWNOFSA-N 1 1 391.450 2.974 40 0 GFABMO C[C@H]([C@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087823 206226324 /nfs/dbraw/zinc/22/63/24/206226324.db2.gz XVWDEHLVPDHPLZ-PXAZEXFGSA-N 1 1 378.270 2.837 40 0 GFABMO C[C@H]([C@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087823 206226329 /nfs/dbraw/zinc/22/63/29/206226329.db2.gz XVWDEHLVPDHPLZ-PXAZEXFGSA-N 1 1 378.270 2.837 40 0 GFABMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000013301832 221265443 /nfs/dbraw/zinc/26/54/43/221265443.db2.gz MEDVQDWRNABAKE-JFGNBEQYSA-N 1 1 380.229 2.576 40 0 GFABMO C[C@@H]1C[N@H+](C[C@@H](O)COc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000013301832 221265445 /nfs/dbraw/zinc/26/54/45/221265445.db2.gz MEDVQDWRNABAKE-JFGNBEQYSA-N 1 1 380.229 2.576 40 0 GFABMO Cc1ccc(C[N@@H+]2CCOC[C@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)s1 ZINC000096051306 136183486 /nfs/dbraw/zinc/18/34/86/136183486.db2.gz HTRPGQLXFIUXTA-HXUWFJFHSA-N 1 1 390.480 2.830 40 0 GFABMO Cc1ccc(C[N@H+]2CCOC[C@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)s1 ZINC000096051306 136183487 /nfs/dbraw/zinc/18/34/87/136183487.db2.gz HTRPGQLXFIUXTA-HXUWFJFHSA-N 1 1 390.480 2.830 40 0 GFABMO CSc1nnc([C@@H]2CCC[N@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001429 136194346 /nfs/dbraw/zinc/19/43/46/136194346.db2.gz XSJJWGURFPJKPW-MRXNPFEDSA-N 1 1 385.537 2.696 40 0 GFABMO CSc1nnc([C@@H]2CCC[N@@H+](CC(=O)N3CCCc4ccccc43)C2)n1C ZINC000005001429 136194347 /nfs/dbraw/zinc/19/43/47/136194347.db2.gz XSJJWGURFPJKPW-MRXNPFEDSA-N 1 1 385.537 2.696 40 0 GFABMO C=C1[NH+]=C(SC)N[C@@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408994692 528616875 /nfs/dbraw/zinc/61/68/75/528616875.db2.gz ZQFRICGJOQXNQM-HNNXBMFYSA-N 1 1 380.466 2.913 40 0 GFABMO NCC1(C[NH3+])[C@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218472450 553054061 /nfs/dbraw/zinc/05/40/61/553054061.db2.gz CFXYNICRUQHKIL-CVEARBPZSA-N 1 1 385.316 2.837 40 0 GFABMO OC[C@@H]1[C@H](O)[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1cccc(Br)c1 ZINC000585292708 565104161 /nfs/dbraw/zinc/10/41/61/565104161.db2.gz NPJGFKKCWWWHBH-KZNAEPCWSA-N 1 1 380.257 2.909 40 0 GFABMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)c2c[nH]cn2)CCC3(F)F)cs1 ZINC000096078126 570210091 /nfs/dbraw/zinc/21/00/91/570210091.db2.gz QNEDSSLQGIXUOV-MRXNPFEDSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)c2c[nH]cn2)CCC3(F)F)cs1 ZINC000096078126 570210093 /nfs/dbraw/zinc/21/00/93/570210093.db2.gz QNEDSSLQGIXUOV-MRXNPFEDSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)cc1 ZINC000096225907 570220556 /nfs/dbraw/zinc/22/05/56/570220556.db2.gz GQDBQXMRFVBMIN-JOCHJYFZSA-N 1 1 378.476 2.769 40 0 GFABMO O=C(COc1ccccc1)N1CCC2(CC1)COCC[N@@H+](Cc1ccncc1)C2 ZINC000096239941 570222077 /nfs/dbraw/zinc/22/20/77/570222077.db2.gz FORPKUMSGXTVGD-UHFFFAOYSA-N 1 1 395.503 2.602 40 0 GFABMO C[NH+](C)CCN1CCC2(C[C@H](NC(=O)c3cccnc3)c3ccccc32)CC1 ZINC000096241442 570222446 /nfs/dbraw/zinc/22/24/46/570222446.db2.gz QQGTWGPOQFJMKO-NRFANRHFSA-N 1 1 378.520 2.852 40 0 GFABMO CCOc1ccccc1N1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000096308954 570228850 /nfs/dbraw/zinc/22/88/50/570228850.db2.gz JREGZNGXKAZGEU-HXUWFJFHSA-N 1 1 393.487 2.535 40 0 GFABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000096315620 570229029 /nfs/dbraw/zinc/22/90/29/570229029.db2.gz SESBAAPAZCLYJO-RXVVDRJESA-N 1 1 390.455 2.943 40 0 GFABMO CCOC(=O)[C@]1(C[C@@H]2CC(c3ccc(F)cc3)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000096315620 570229031 /nfs/dbraw/zinc/22/90/31/570229031.db2.gz SESBAAPAZCLYJO-RXVVDRJESA-N 1 1 390.455 2.943 40 0 GFABMO CC[N@@H+](C[C@@]1(O)CN(C(=O)CCc2ccccc2)CC[C@@H]1O)C1CCCCC1 ZINC000585286268 570255711 /nfs/dbraw/zinc/25/57/11/570255711.db2.gz YGVNEOYNQNJCTJ-JTHBVZDNSA-N 1 1 388.552 2.598 40 0 GFABMO CCOc1cc(CNCC[NH+](CC)CC)ccc1OCC(=O)NC(C)(C)C ZINC000022075884 570321818 /nfs/dbraw/zinc/32/18/18/570321818.db2.gz NCQLLYUWQMTWHZ-UHFFFAOYSA-N 1 1 379.545 2.810 40 0 GFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@H]4C3)c2n1 ZINC000072389825 570576571 /nfs/dbraw/zinc/57/65/71/570576571.db2.gz DWDVNOSIESYJLT-JLMWRMLUSA-N 1 1 377.492 2.779 40 0 GFABMO Cc1ccc(C[N@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1C ZINC000257307725 570905626 /nfs/dbraw/zinc/90/56/26/570905626.db2.gz SZZLBALWNPKHHG-IRXDYDNUSA-N 1 1 382.508 2.971 40 0 GFABMO Cc1ccc(C[N@@H+]2CCc3c(nc(N4C[C@H](C)O[C@@H](C)C4)[nH]c3=O)C2)cc1C ZINC000257307725 570905629 /nfs/dbraw/zinc/90/56/29/570905629.db2.gz SZZLBALWNPKHHG-IRXDYDNUSA-N 1 1 382.508 2.971 40 0 GFABMO COCC[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)C(C)C ZINC000585103446 570932269 /nfs/dbraw/zinc/93/22/69/570932269.db2.gz GKVZKSLAZRZLDP-FQEVSTJZSA-N 1 1 390.524 2.760 40 0 GFABMO COc1ccc(CCC(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1OC ZINC000018217166 570951766 /nfs/dbraw/zinc/95/17/66/570951766.db2.gz ALALXJWLSLZZHC-UHFFFAOYSA-N 1 1 398.503 2.785 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019079327 570955663 /nfs/dbraw/zinc/95/56/63/570955663.db2.gz QCHREHBMHBYQFG-FOIQADDNSA-N 1 1 396.491 2.604 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019079327 570955666 /nfs/dbraw/zinc/95/56/66/570955666.db2.gz QCHREHBMHBYQFG-FOIQADDNSA-N 1 1 396.491 2.604 40 0 GFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H](c4ccccc4)[C@]4(C3)CCCC(=O)N4)c2n1 ZINC000019116588 570957087 /nfs/dbraw/zinc/95/70/87/570957087.db2.gz SZLNYVGHGYCJSX-NZQKXSOJSA-N 1 1 389.503 2.984 40 0 GFABMO Cc1ccc(-n2cccc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)nc1 ZINC000019216221 570961891 /nfs/dbraw/zinc/96/18/91/570961891.db2.gz VZQRYFBWEYFMPB-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO Cc1ccc(-n2cccc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)nc1 ZINC000019216221 570961892 /nfs/dbraw/zinc/96/18/92/570961892.db2.gz VZQRYFBWEYFMPB-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448271 570984600 /nfs/dbraw/zinc/98/46/00/570984600.db2.gz LPDRHVHJQOIAIF-LJQANCHMSA-N 1 1 398.482 2.582 40 0 GFABMO CC(C)c1nnc(CC(=O)N2C[C@H](c3ccc(F)cc3)[C@@H]3[C@H]2CCC[N@H+]3C)[nH]1 ZINC000019453448 570985942 /nfs/dbraw/zinc/98/59/42/570985942.db2.gz MAMFWMCNNPGSHI-MBOZVWFJSA-N 1 1 385.487 2.699 40 0 GFABMO COc1cc(C[N@H+]2CCc3nc(C(C)C)[nH]c(=O)c3CC2)cc(OC)c1OC ZINC000019453741 570986225 /nfs/dbraw/zinc/98/62/25/570986225.db2.gz XMBHMAJPROHYCF-UHFFFAOYSA-N 1 1 387.480 2.520 40 0 GFABMO C[C@@H]1CCc2onc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)c2C1 ZINC000019497125 570989981 /nfs/dbraw/zinc/98/99/81/570989981.db2.gz IDEOWRDIRPUADZ-DYVFJYSZSA-N 1 1 381.480 2.555 40 0 GFABMO Cc1sc2nc(C)n(C3CC[NH+](CC(=O)NC(C)(C)C)CC3)c(=O)c2c1C ZINC000019561234 571005924 /nfs/dbraw/zinc/00/59/24/571005924.db2.gz XHAXFQXIRUROSN-UHFFFAOYSA-N 1 1 390.553 2.935 40 0 GFABMO COc1cccc(C[N@@H+]2CCN(Cc3ccnc(N4CCCC4)n3)[C@@H](C)C2)c1 ZINC000019575660 571011614 /nfs/dbraw/zinc/01/16/14/571011614.db2.gz OAHQLKSQTVPPJK-SFHVURJKSA-N 1 1 381.524 2.792 40 0 GFABMO COc1cccc(C[N@H+]2CCN(Cc3ccnc(N4CCCC4)n3)[C@@H](C)C2)c1 ZINC000019575660 571011616 /nfs/dbraw/zinc/01/16/16/571011616.db2.gz OAHQLKSQTVPPJK-SFHVURJKSA-N 1 1 381.524 2.792 40 0 GFABMO COc1ccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c(OC)c1 ZINC000019590712 571018740 /nfs/dbraw/zinc/01/87/40/571018740.db2.gz HZSYGPANYUKWCD-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO COc1ccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c(OC)c1 ZINC000019590712 571018741 /nfs/dbraw/zinc/01/87/41/571018741.db2.gz HZSYGPANYUKWCD-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cnc(C)nc2C)[nH+]1 ZINC000019698345 571031000 /nfs/dbraw/zinc/03/10/00/571031000.db2.gz YBWJMZLPSOQLRT-OAQYLSRUSA-N 1 1 394.523 2.526 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019079340 207101087 /nfs/dbraw/zinc/10/10/87/207101087.db2.gz PCLAPBBDRZLSPW-CRAIPNDOSA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@H]3CCC[N@H+]3C)ncc2C1 ZINC000019079340 207101091 /nfs/dbraw/zinc/10/10/91/207101091.db2.gz PCLAPBBDRZLSPW-CRAIPNDOSA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccccc1O[C@@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078803 207101117 /nfs/dbraw/zinc/10/11/17/207101117.db2.gz FSUXKVBEFDDMMY-YJBOKZPZSA-N 1 1 396.491 2.604 40 0 GFABMO c1cncc(C[N@H+](CCCN2CCOCC2)Cc2ccc3nccnc3c2)c1 ZINC000019338588 207115972 /nfs/dbraw/zinc/11/59/72/207115972.db2.gz GZYMZLFZXTTXFO-UHFFFAOYSA-N 1 1 377.492 2.749 40 0 GFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@@H]3CC[N@@H+](Cc4cccs4)C3)nc2C1 ZINC000019343392 207116745 /nfs/dbraw/zinc/11/67/45/207116745.db2.gz FADMKYRVQMEWAR-OAHLLOKOSA-N 1 1 398.532 2.506 40 0 GFABMO CCCCn1nc(C)c(C[N@H+]2CCc3nc(N4CCCC4)[nH]c(=O)c3CC2)c1C ZINC000019502411 207127408 /nfs/dbraw/zinc/12/74/08/207127408.db2.gz BSHDDLXMOSPVOW-UHFFFAOYSA-N 1 1 398.555 2.584 40 0 GFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(-c2ccccc2F)n1 ZINC000019500331 207127454 /nfs/dbraw/zinc/12/74/54/207127454.db2.gz MTYXFVHFGXBJAB-HNNXBMFYSA-N 1 1 390.528 2.634 40 0 GFABMO COc1ccc(C[N@@H+]2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1OC ZINC000019561131 207134000 /nfs/dbraw/zinc/13/40/00/207134000.db2.gz HPYOQSKQWPSTET-UHFFFAOYSA-N 1 1 398.507 2.726 40 0 GFABMO COc1ccc(C[N@H+]2CCc3nc(N4CCCCCC4)[nH]c(=O)c3C2)cc1OC ZINC000019561131 207134002 /nfs/dbraw/zinc/13/40/02/207134002.db2.gz HPYOQSKQWPSTET-UHFFFAOYSA-N 1 1 398.507 2.726 40 0 GFABMO Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)C[NH+]3CCCC3)cc(C(F)(F)F)c12 ZINC000019695540 207148452 /nfs/dbraw/zinc/14/84/52/207148452.db2.gz MGVOLBZBSYRBOX-CYBMUJFWSA-N 1 1 396.417 2.708 40 0 GFABMO C[N@@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 ZINC000019589022 207141429 /nfs/dbraw/zinc/14/14/29/207141429.db2.gz HTFJYYMRQCIOGV-IBGZPJMESA-N 1 1 380.492 2.963 40 0 GFABMO C[N@H+]1CCCC[C@H]1c1ncc2c(n1)CCN(Cc1ccc3c(c1)OCCO3)C2 ZINC000019589022 207141433 /nfs/dbraw/zinc/14/14/33/207141433.db2.gz HTFJYYMRQCIOGV-IBGZPJMESA-N 1 1 380.492 2.963 40 0 GFABMO COc1ccccc1CCC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019590396 207141686 /nfs/dbraw/zinc/14/16/86/207141686.db2.gz FNYWZBSMSKOZTQ-GOSISDBHSA-N 1 1 394.519 2.812 40 0 GFABMO COc1ccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019590293 207142358 /nfs/dbraw/zinc/14/23/58/207142358.db2.gz BWEZXMVFJAXVPZ-FQEVSTJZSA-N 1 1 380.492 2.769 40 0 GFABMO O=C(NC1CCOCC1)c1ccc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706076 207150589 /nfs/dbraw/zinc/15/05/89/207150589.db2.gz ZTUTYSXYEMHZPA-GOSISDBHSA-N 1 1 380.492 2.765 40 0 GFABMO O=C(N[C@H]1CCCOC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373041 208004723 /nfs/dbraw/zinc/00/47/23/208004723.db2.gz KTSMHVQMKCNDOR-FKBYEOEOSA-N 1 1 392.499 2.913 40 0 GFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374272 208008156 /nfs/dbraw/zinc/00/81/56/208008156.db2.gz DXJQJNIBXVNVAJ-KRWDZBQOSA-N 1 1 397.523 2.859 40 0 GFABMO CN1[C@H]2CC[N@H+](Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145704 208274873 /nfs/dbraw/zinc/27/48/73/208274873.db2.gz INMNBOPNWORAAW-ROUUACIJSA-N 1 1 390.480 2.872 40 0 GFABMO CN1[C@H]2CC[N@@H+](Cc3ccccc3F)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145704 208274876 /nfs/dbraw/zinc/27/48/76/208274876.db2.gz INMNBOPNWORAAW-ROUUACIJSA-N 1 1 390.480 2.872 40 0 GFABMO CCOC(=O)[C@@]12C[N@@H+](CCOC)C[C@@H]1CN(Cc1ccc(C)s1)CCC2 ZINC000096055962 208257293 /nfs/dbraw/zinc/25/72/93/208257293.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 1 1 380.554 2.780 40 0 GFABMO CCOC(=O)[C@@]12CN(CCOC)C[C@@H]1C[N@H+](Cc1ccc(C)s1)CCC2 ZINC000096055962 208257322 /nfs/dbraw/zinc/25/73/22/208257322.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 1 1 380.554 2.780 40 0 GFABMO CCOC(=O)[C@@]12CN(CCOC)C[C@@H]1C[N@@H+](Cc1ccc(C)s1)CCC2 ZINC000096055962 208257327 /nfs/dbraw/zinc/25/73/27/208257327.db2.gz QUTRXEHLCDIKSI-PXNSSMCTSA-N 1 1 380.554 2.780 40 0 GFABMO COc1ccc(C[N@H+]2CCc3ccc(=O)n(Cc4cccnc4)c3CC2)cc1 ZINC000096059354 208259530 /nfs/dbraw/zinc/25/95/30/208259530.db2.gz UNRMVNXGZRLGGW-UHFFFAOYSA-N 1 1 375.472 2.901 40 0 GFABMO CC(=O)N1CC(=O)N(c2ccsc2)C[C@]12CC[N@@H+](Cc1ccsc1)C2 ZINC000096077316 208261408 /nfs/dbraw/zinc/26/14/08/208261408.db2.gz DGPYVZGCCIETLL-GOSISDBHSA-N 1 1 375.519 2.649 40 0 GFABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143917 208270771 /nfs/dbraw/zinc/27/07/71/208270771.db2.gz MKDJMGBNBBDDLW-GMAHTHKFSA-N 1 1 377.488 2.950 40 0 GFABMO COc1ncccc1C[N@H+]1CC[C@]2(C[C@H](OCc3csc(C)n3)CO2)C1 ZINC000096218483 208287323 /nfs/dbraw/zinc/28/73/23/208287323.db2.gz BGLHLMKQWQPXGM-HKUYNNGSSA-N 1 1 375.494 2.805 40 0 GFABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@H]1CCCO1 ZINC000100687622 208378925 /nfs/dbraw/zinc/37/89/25/208378925.db2.gz UKOJRRYWYCQYHE-ZIFCJYIRSA-N 1 1 376.545 2.783 40 0 GFABMO C[C@@]12C[C@@H](CC(C)(C)C1)[N@@H+](Cc1c([O-])occ(CN3CCOCC3)c1=O)C2 ZINC000101342483 208392734 /nfs/dbraw/zinc/39/27/34/208392734.db2.gz PVTHFWUNDRMVNH-IIBYNOLFSA-N 1 1 376.497 2.578 40 0 GFABMO COCC(=O)N[C@@H]1CCCC[C@]12C[N@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137219 209104400 /nfs/dbraw/zinc/10/44/00/209104400.db2.gz QPIMXOQZBNOCAC-QUCCMNQESA-N 1 1 378.538 2.685 40 0 GFABMO COCC(=O)N[C@@H]1CCCC[C@]12C[N@@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137219 209104402 /nfs/dbraw/zinc/10/44/02/209104402.db2.gz QPIMXOQZBNOCAC-QUCCMNQESA-N 1 1 378.538 2.685 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306138055 209103950 /nfs/dbraw/zinc/10/39/50/209103950.db2.gz RNUSJYDWUFQHLY-RTBURBONSA-N 1 1 387.487 2.877 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccco3)C[C@H]1C2 ZINC000306131086 209098836 /nfs/dbraw/zinc/09/88/36/209098836.db2.gz JWDBWYNCCMBXFT-KGLIPLIRSA-N 1 1 381.411 2.567 40 0 GFABMO C[N@@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1cc(C3CC3)on1)C2 ZINC000306128741 209098822 /nfs/dbraw/zinc/09/88/22/209098822.db2.gz HJHHLILKSBRDBB-MRXNPFEDSA-N 1 1 396.491 2.700 40 0 GFABMO C[N@H+]1CC[C@@H](COCc2cccnc2)CC12CN(C(=O)c1cc(C3CC3)on1)C2 ZINC000306128741 209098826 /nfs/dbraw/zinc/09/88/26/209098826.db2.gz HJHHLILKSBRDBB-MRXNPFEDSA-N 1 1 396.491 2.700 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@@H](CO)C(C)C)nc(C)[nH+]1)CC2 ZINC000329004271 533173150 /nfs/dbraw/zinc/17/31/50/533173150.db2.gz KQQQVRAEDGWVOZ-KRWDZBQOSA-N 1 1 386.496 2.794 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2cn(C)cn2)C1 ZINC000257257833 209062367 /nfs/dbraw/zinc/06/23/67/209062367.db2.gz KRGUBKPUSLCEAD-MRXNPFEDSA-N 1 1 395.511 2.928 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2cn(C)cn2)C1 ZINC000257257833 209062371 /nfs/dbraw/zinc/06/23/71/209062371.db2.gz KRGUBKPUSLCEAD-MRXNPFEDSA-N 1 1 395.511 2.928 40 0 GFABMO COCC[NH+]1CCN(c2c3c(nc4cc(-c5cccc(F)c5)nn42)CCC3)CC1 ZINC000057710152 136153957 /nfs/dbraw/zinc/15/39/57/136153957.db2.gz QBQYLLDGODUKMI-UHFFFAOYSA-N 1 1 395.482 2.793 40 0 GFABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)NC3CCCCC3)CC[C@H]21 ZINC000257304740 209073413 /nfs/dbraw/zinc/07/34/13/209073413.db2.gz SMZCJICUKJOIJG-YPAWHYETSA-N 1 1 383.536 2.772 40 0 GFABMO COC[C@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000242614866 553088131 /nfs/dbraw/zinc/08/81/31/553088131.db2.gz PKVFIFUSPJJAJM-KSZLIROESA-N 1 1 381.881 2.632 40 0 GFABMO O=C(Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2C[N@@H+](C2CCOCC2)C1)c1ccccc1 ZINC000004260317 560197964 /nfs/dbraw/zinc/19/79/64/560197964.db2.gz JBOJNTBDZQISPT-FUHWJXTLSA-N 1 1 393.487 2.699 40 0 biogenic,in-vitro GFABMO CC(=O)NC[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1CC1(O)CCCCCC1 ZINC000585284670 570253699 /nfs/dbraw/zinc/25/36/99/570253699.db2.gz UXEDHNCRCYWJSF-NCYKPQTJSA-N 1 1 380.573 2.982 40 0 GFABMO O=S(=O)(Cc1cccc(Cl)c1)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224730201 570527371 /nfs/dbraw/zinc/52/73/71/570527371.db2.gz WIICHEBSDIGNCK-UHFFFAOYSA-N 1 1 394.924 2.792 40 0 GFABMO COc1ccc(C[N@@H+]2[C@@H]3CCC[C@H]2CC(O)(Cn2nc(C)ccc2=O)C3)cc1 ZINC000012366385 570647274 /nfs/dbraw/zinc/64/72/74/570647274.db2.gz LRIKOAGUWQTDBS-QIDMFYOTSA-N 1 1 383.492 2.509 40 0 GFABMO Cc1ccc(C[N@@H+]2Cc3cccn3C[C@H](CCOCC(=O)N(C)C)C2)s1 ZINC000585095292 570921639 /nfs/dbraw/zinc/92/16/39/570921639.db2.gz NQIVVCOLRYPOPE-QGZVFWFLSA-N 1 1 375.538 2.985 40 0 GFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000119911293 570924669 /nfs/dbraw/zinc/92/46/69/570924669.db2.gz PZCJSJAMALAIBG-NSHDSACASA-N 1 1 377.794 2.898 40 0 GFABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2cccc(Cl)c2)C1 ZINC000585099074 570925286 /nfs/dbraw/zinc/92/52/86/570925286.db2.gz HXCFQVNSXVDWQZ-QGZVFWFLSA-N 1 1 375.900 2.926 40 0 GFABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2cccc(Cl)c2)C1 ZINC000585099074 570925288 /nfs/dbraw/zinc/92/52/88/570925288.db2.gz HXCFQVNSXVDWQZ-QGZVFWFLSA-N 1 1 375.900 2.926 40 0 GFABMO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@@H+]4CC(=O)N4CCCC4)C3)CC2)cc1 ZINC000585102057 570927898 /nfs/dbraw/zinc/92/78/98/570927898.db2.gz OYKKWGIWJKHDOE-HSZRJFAPSA-N 1 1 395.547 2.716 40 0 GFABMO Cc1ccc(C2(C(=O)N3CCC[C@@]4(CC[N@H+]4CC(=O)N4CCCC4)C3)CC2)cc1 ZINC000585102057 570927902 /nfs/dbraw/zinc/92/79/02/570927902.db2.gz OYKKWGIWJKHDOE-HSZRJFAPSA-N 1 1 395.547 2.716 40 0 GFABMO CCN(CC)C(=O)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC12CCOCC2 ZINC000585102013 570928050 /nfs/dbraw/zinc/92/80/50/570928050.db2.gz XXIYHRQGRCHKTR-OAQYLSRUSA-N 1 1 396.535 2.969 40 0 GFABMO CC(C)N1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccc(-c3csnn3)cc1)C2 ZINC000585104953 570934179 /nfs/dbraw/zinc/93/41/79/570934179.db2.gz WMCFPNXXWXNOBH-HXUWFJFHSA-N 1 1 386.521 2.664 40 0 GFABMO O=C1N(CC2CC2)CCO[C@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145109 209108811 /nfs/dbraw/zinc/10/88/11/209108811.db2.gz ZYKYTVFMTKOQFP-FPOVZHCZSA-N 1 1 383.517 2.750 40 0 GFABMO C[N@H+]1CCc2nc(C3CCN(C(=O)c4cc(C(C)(C)C)n[nH]4)CC3)ncc2C1 ZINC000019083596 207103150 /nfs/dbraw/zinc/10/31/50/207103150.db2.gz OMCNJTDLRIJBIF-UHFFFAOYSA-N 1 1 382.512 2.505 40 0 GFABMO CCCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1c1ccnc(N2CCCC2)n1 ZINC000019503649 207127473 /nfs/dbraw/zinc/12/74/73/207127473.db2.gz NURVOBSOJFYPFL-PMACEKPBSA-N 1 1 393.535 2.819 40 0 GFABMO CCc1nc(N2CCN(C(=O)CCc3ccc4c(c3)C[C@@H](C)O4)CC2)cc(C)[nH+]1 ZINC000019523131 207128176 /nfs/dbraw/zinc/12/81/76/207128176.db2.gz REAZSZPISACILE-QGZVFWFLSA-N 1 1 394.519 2.952 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 ZINC000019448287 207122651 /nfs/dbraw/zinc/12/26/51/207122651.db2.gz ZQAUUWPCEWCFQF-QGZVFWFLSA-N 1 1 386.521 2.504 40 0 GFABMO Cc1sc2nc(C)n(C3CC[NH+](CC(=O)NC(C)C)CC3)c(=O)c2c1C ZINC000019561237 207134927 /nfs/dbraw/zinc/13/49/27/207134927.db2.gz YTGCKCPZAQGWAZ-UHFFFAOYSA-N 1 1 376.526 2.545 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)n1 ZINC000019572959 207138160 /nfs/dbraw/zinc/13/81/60/207138160.db2.gz RAUMBXGHZARRDO-MSOLQXFVSA-N 1 1 396.539 2.635 40 0 GFABMO CCOc1cc(C[N@H+]2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)ccc1OC ZINC000019531970 207131302 /nfs/dbraw/zinc/13/13/02/207131302.db2.gz FKCAAKYMRFWKRB-QGZVFWFLSA-N 1 1 383.492 2.976 40 0 GFABMO Cn1nc([C@H]2CCCCN2C(=O)c2ccc3c(c2)OCCO3)cc1C[NH+](C)C ZINC000019709119 207149986 /nfs/dbraw/zinc/14/99/86/207149986.db2.gz KIDUNZAWIBOYKG-GOSISDBHSA-N 1 1 384.480 2.620 40 0 GFABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc4ccccc4o2)CC3)C1 ZINC000019709293 207150239 /nfs/dbraw/zinc/15/02/39/207150239.db2.gz VPOKULJJXWFTQU-MRXNPFEDSA-N 1 1 379.464 2.532 40 0 GFABMO Cc1nccn1C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000019658009 207144899 /nfs/dbraw/zinc/14/48/99/207144899.db2.gz UECZSHHQJNQWLE-KRWDZBQOSA-N 1 1 380.496 2.737 40 0 GFABMO c1ccc2[nH]c(C[C@@H]3CCC[N@@H+](Cc4ccnc(N5CCOCC5)n4)C3)nc2c1 ZINC000019657871 207145809 /nfs/dbraw/zinc/14/58/09/207145809.db2.gz RDBMPZKJVUTKEL-KRWDZBQOSA-N 1 1 392.507 2.644 40 0 GFABMO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc2[nH]c(C(F)(F)F)nc2c1 ZINC000019657785 207145833 /nfs/dbraw/zinc/14/58/33/207145833.db2.gz LZFUQKJXQGBODL-CYBMUJFWSA-N 1 1 392.385 2.881 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657785 207145840 /nfs/dbraw/zinc/14/58/40/207145840.db2.gz LZFUQKJXQGBODL-CYBMUJFWSA-N 1 1 392.385 2.881 40 0 GFABMO O=C(C[N@H+]1CCC[C@@H]1Cn1cccn1)Nc1ccc2nc(C(F)(F)F)[nH]c2c1 ZINC000019657785 207145844 /nfs/dbraw/zinc/14/58/44/207145844.db2.gz LZFUQKJXQGBODL-CYBMUJFWSA-N 1 1 392.385 2.881 40 0 GFABMO Cc1oc2c(c1C(=O)N1CCc3nnc([C@H]4CCC[N@H+](C)C4)n3CC1)CCCC2 ZINC000019709264 207151143 /nfs/dbraw/zinc/15/11/43/207151143.db2.gz YAECNBCJEXHQJC-INIZCTEOSA-N 1 1 397.523 2.566 40 0 GFABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2CC1 ZINC000072372759 208004617 /nfs/dbraw/zinc/00/46/17/208004617.db2.gz ITHFIJCTHTYFBD-KRWDZBQOSA-N 1 1 385.487 2.546 40 0 GFABMO Cc1cccc(C[N@@H+]2C[C@@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306138726 209105341 /nfs/dbraw/zinc/10/53/41/209105341.db2.gz SFUASXMBNIUGOK-IRXDYDNUSA-N 1 1 388.475 2.538 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3F)C[C@@H]1C2 ZINC000306134747 209101954 /nfs/dbraw/zinc/10/19/54/209101954.db2.gz NXBRFGVAZMRDIU-IRXDYDNUSA-N 1 1 391.450 2.974 40 0 GFABMO Cc1ccsc1C[N@H+]1C[C@@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@H]2C1 ZINC000306128372 209099545 /nfs/dbraw/zinc/09/95/45/209099545.db2.gz GYQOAJMPIUDIPW-HOCLYGCPSA-N 1 1 397.504 2.790 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306127481 209097814 /nfs/dbraw/zinc/09/78/14/209097814.db2.gz FZJOCWJMLGQDAJ-QZTJIDSGSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1ncsc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306127481 209097818 /nfs/dbraw/zinc/09/78/18/209097818.db2.gz FZJOCWJMLGQDAJ-QZTJIDSGSA-N 1 1 379.489 2.730 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000306124316 209097322 /nfs/dbraw/zinc/09/73/22/209097322.db2.gz BMMYKKYWDIUCNR-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccccn4)C[C@@H]32)cc1 ZINC000306124316 209097324 /nfs/dbraw/zinc/09/73/24/209097324.db2.gz BMMYKKYWDIUCNR-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCCCn2cc[nH+]c2C)c1 ZINC000257220775 209057564 /nfs/dbraw/zinc/05/75/64/209057564.db2.gz DMBXAKXIUHPCEM-UHFFFAOYSA-N 1 1 391.475 2.710 40 0 GFABMO CCCN1CC[N@@H+](CCC(N)=O)C[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O ZINC000257244123 209059547 /nfs/dbraw/zinc/05/95/47/209059547.db2.gz IJYIFPUDXQLDNS-QFIPXVFZSA-N 1 1 393.531 2.942 40 0 GFABMO COc1cccc(OC)c1OCC(=O)N1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)[N@H+]2C ZINC000257291045 209068341 /nfs/dbraw/zinc/06/83/41/209068341.db2.gz QFINMOPQVIZNMT-XCRNZQRYSA-N 1 1 388.508 2.946 40 0 GFABMO CCn1ccnc1[C@@H](Nc1ccc(-n2cc[nH+]c2C)cc1)[C@@H]1COCC[C@@H]1O ZINC000257297512 209071325 /nfs/dbraw/zinc/07/13/25/209071325.db2.gz RHOGYYMYUGLQPT-AABGKKOBSA-N 1 1 381.480 2.948 40 0 GFABMO CC[NH+]1CCN(C(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)CC1 ZINC000408546632 529134342 /nfs/dbraw/zinc/13/43/42/529134342.db2.gz GHMZUPUXPKVMAZ-UHFFFAOYSA-N 1 1 387.505 2.574 40 0 GFABMO COC[C@@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220512 553053299 /nfs/dbraw/zinc/05/32/99/553053299.db2.gz ZKJMIFCSCOFZLW-IXDOHACOSA-N 1 1 396.306 2.733 40 0 GFABMO NCC1(C[NH3+])[C@H](S(=O)(=O)c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 ZINC000218472620 553053972 /nfs/dbraw/zinc/05/39/72/553053972.db2.gz CFXYNICRUQHKIL-HZPDHXFCSA-N 1 1 385.316 2.837 40 0 GFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](CC4CCCC4)C[C@H]2N(C)C3=O)cn1 ZINC000514289317 560032963 /nfs/dbraw/zinc/03/29/63/560032963.db2.gz ICAKWACBBLLEKO-CTNGQTDRSA-N 1 1 380.492 2.795 40 0 biogenic,in-vitro GFABMO c1cc(-c2cncnc2)ncc1-c1noc([C@@H]2CCC[N@H+]2C2CCOCC2)n1 ZINC000049155332 560083943 /nfs/dbraw/zinc/08/39/43/560083943.db2.gz MSUBJKQFIHICGX-SFHVURJKSA-N 1 1 378.436 2.905 40 0 biogenic,in-vitro GFABMO CC(=O)N1CC[N@H+](C2CCCCC2)C[C@@](O)(COc2ccc(F)c(C)c2)C1 ZINC000585284230 570253516 /nfs/dbraw/zinc/25/35/16/570253516.db2.gz VWDRGDOXPCPPSE-OAQYLSRUSA-N 1 1 378.488 2.741 40 0 GFABMO CC[N@@H+](C[C@@]1(O)CCN(C(=O)c2ccc(Cl)cc2)C[C@@H]1O)C1CCCCC1 ZINC000585285201 570254411 /nfs/dbraw/zinc/25/44/11/570254411.db2.gz PBHMNKUXLSNKFL-FPOVZHCZSA-N 1 1 394.943 2.933 40 0 GFABMO O=C(c1cscn1)N1C[C@H]2C[N@@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107249488 570309134 /nfs/dbraw/zinc/30/91/34/570309134.db2.gz DZGUPYCGOPTRNK-FXAWDEMLSA-N 1 1 382.533 2.564 40 0 GFABMO O=C(c1cscn1)N1C[C@H]2C[N@H+](C3CCN(Cc4ccccc4)CC3)[C@@H]2C1 ZINC000107249488 570309137 /nfs/dbraw/zinc/30/91/37/570309137.db2.gz DZGUPYCGOPTRNK-FXAWDEMLSA-N 1 1 382.533 2.564 40 0 GFABMO COc1ccc(O[C@H](C)C(=O)NCc2cccc(C[NH+]3CCOCC3)c2)cc1 ZINC000108643814 570313361 /nfs/dbraw/zinc/31/33/61/570313361.db2.gz WZJUOPPDAKKLPS-QGZVFWFLSA-N 1 1 384.476 2.611 40 0 GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2cccc(OC)c2)CC[C@@]1(C)O ZINC000604382661 570353801 /nfs/dbraw/zinc/35/38/01/570353801.db2.gz XTCWWAGIZYHYJO-RJGXRXQPSA-N 1 1 398.503 2.524 40 0 biogenic,in-vitro GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2cccc(OC)c2)CC[C@@]1(C)O ZINC000604382661 570353803 /nfs/dbraw/zinc/35/38/03/570353803.db2.gz XTCWWAGIZYHYJO-RJGXRXQPSA-N 1 1 398.503 2.524 40 0 biogenic,in-vitro GFABMO COc1ccccc1O[C@@H](C)C(=O)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000224741294 570528212 /nfs/dbraw/zinc/52/82/12/570528212.db2.gz ORKQYHWPAMSUTR-KRWDZBQOSA-N 1 1 384.476 2.611 40 0 GFABMO COc1ccccc1[C@]1(O)CCC[N@@H+](C[C@H](O)c2ccc3c(c2)OCCCO3)C1 ZINC000036741285 570569337 /nfs/dbraw/zinc/56/93/37/570569337.db2.gz FQQOAKRNTCAAEB-CVDCTZTESA-N 1 1 399.487 2.874 40 0 GFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4nccnc4c2)CC3)C1 ZINC000012145354 570616257 /nfs/dbraw/zinc/61/62/57/570616257.db2.gz ZCJFXEZUKGVVIS-OAHLLOKOSA-N 1 1 390.491 2.508 40 0 GFABMO Cc1ccc(=O)n(CC2(O)C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2cc(F)ccc2F)n1 ZINC000012160913 570619062 /nfs/dbraw/zinc/61/90/62/570619062.db2.gz OFWNTOTYPDBNLO-HTZLVSCSSA-N 1 1 389.446 2.778 40 0 GFABMO O=C(NC[C@H]1COc2ccccc2O1)[C@H]1CCC[N@H+](Cc2ccc(F)cc2)C1 ZINC000260913063 570713686 /nfs/dbraw/zinc/71/36/86/570713686.db2.gz ZVLSTRCBPUVZAW-HKUYNNGSSA-N 1 1 384.451 2.994 40 0 GFABMO O=C(Nc1ccc(C(=O)N2CCC[C@@]3(CC[N@H+]3C[C@@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102254 570930090 /nfs/dbraw/zinc/93/00/90/570930090.db2.gz VNFNPYTTZNSPTE-NZQKXSOJSA-N 1 1 397.519 2.895 40 0 GFABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@H]2c1cccnc1 ZINC000306145110 209108970 /nfs/dbraw/zinc/10/89/70/209108970.db2.gz ZYKYTVFMTKOQFP-PZJWPPBQSA-N 1 1 383.517 2.750 40 0 GFABMO O=c1c(-c2ccccc2)nnc2n1CC[C@@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306143044 209108300 /nfs/dbraw/zinc/10/83/00/209108300.db2.gz XRQDSHJYXQDXNT-JOCHJYFZSA-N 1 1 376.435 2.992 40 0 GFABMO COc1ccc2[nH]cc(C(=O)C[N@@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000058979823 206278423 /nfs/dbraw/zinc/27/84/23/206278423.db2.gz DIBXVFCFCQWWDD-CABCVRRESA-N 1 1 377.444 2.640 40 0 GFABMO COc1ccc2[nH]cc(C(=O)C[N@H+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2c1 ZINC000058979823 206278427 /nfs/dbraw/zinc/27/84/27/206278427.db2.gz DIBXVFCFCQWWDD-CABCVRRESA-N 1 1 377.444 2.640 40 0 GFABMO O=C(NCC[NH+]1CCC(O)(c2cccc(F)c2)CC1)c1c(F)cccc1F ZINC000012290870 206878511 /nfs/dbraw/zinc/87/85/11/206878511.db2.gz GGINQVHYCFBOSJ-UHFFFAOYSA-N 1 1 378.394 2.817 40 0 GFABMO C[C@@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCC[N@H+]2C)N1CCCC1=O ZINC000019079556 207100454 /nfs/dbraw/zinc/10/04/54/207100454.db2.gz ZILLYOVZSCCCKW-KMQSCTNJSA-N 1 1 383.536 2.866 40 0 GFABMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078776 207101387 /nfs/dbraw/zinc/10/13/87/207101387.db2.gz YJCLPKUGIOVFLJ-IFXJQAMLSA-N 1 1 384.455 2.735 40 0 GFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019238656 207110905 /nfs/dbraw/zinc/11/09/05/207110905.db2.gz OYEFYPUJKICBII-KRWDZBQOSA-N 1 1 398.532 2.772 40 0 GFABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccncc3)C2)no1 ZINC000019405414 207121418 /nfs/dbraw/zinc/12/14/18/207121418.db2.gz ZACNMDDMDJYBHA-GOSISDBHSA-N 1 1 377.448 2.774 40 0 GFABMO COc1cccc(C[NH2+]Cc2cc(N(C)C)nc(-c3cccnc3)n2)c1OC ZINC000019584536 207139816 /nfs/dbraw/zinc/13/98/16/207139816.db2.gz ZSFAOMFFSGCEOO-UHFFFAOYSA-N 1 1 379.464 2.912 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)cc1 ZINC000019555152 207133236 /nfs/dbraw/zinc/13/32/36/207133236.db2.gz VCSWDTDOUOQIFC-QGZVFWFLSA-N 1 1 399.491 2.660 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1F ZINC000019590414 207140889 /nfs/dbraw/zinc/14/08/89/207140889.db2.gz VVSMSEBAEVZHPD-MRXNPFEDSA-N 1 1 398.482 2.561 40 0 GFABMO COc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](CC2CCCCC2)C3)c(OC)n1 ZINC000019594728 207144140 /nfs/dbraw/zinc/14/41/40/207144140.db2.gz HDAAURRKEDMYSC-QRTHJKPMSA-N 1 1 375.513 2.994 40 0 GFABMO CNc1nc([C@@H]2CCCN2C(C)=O)nc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019708594 207150463 /nfs/dbraw/zinc/15/04/63/207150463.db2.gz XVFNKTNKEAHCPE-FQEVSTJZSA-N 1 1 379.508 2.803 40 0 GFABMO CNc1nc([C@H]2CCC[N@@H+](CCc3ccccc3)C2)nc2c1CN(C(C)=O)CC2 ZINC000019711511 207151778 /nfs/dbraw/zinc/15/17/78/207151778.db2.gz DFVASYJEQXXESM-IBGZPJMESA-N 1 1 393.535 2.845 40 0 GFABMO Cn1cnc2cc(C(=O)N[C@H](CC[NH+]3CCOCC3)c3ccccc3)ccc21 ZINC000019718650 207155683 /nfs/dbraw/zinc/15/56/83/207155683.db2.gz MVLJNDVOGRVLEW-LJQANCHMSA-N 1 1 378.476 2.767 40 0 GFABMO O=C(NCCC[N@H+]1CCc2ccccc2C1)c1cccc(N2CCCC2=O)c1 ZINC000029840193 207367269 /nfs/dbraw/zinc/36/72/69/207367269.db2.gz GCNGYISAZCXADZ-UHFFFAOYSA-N 1 1 377.488 2.992 40 0 GFABMO CN1[C@H]2CC[N@H+](Cc3ccc(F)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145705 208274016 /nfs/dbraw/zinc/27/40/16/208274016.db2.gz IVTWUWQQVBZKGJ-ROUUACIJSA-N 1 1 390.480 2.872 40 0 GFABMO CN1[C@H]2CC[N@@H+](Cc3ccc(F)cc3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC000096145705 208274021 /nfs/dbraw/zinc/27/40/21/208274021.db2.gz IVTWUWQQVBZKGJ-ROUUACIJSA-N 1 1 390.480 2.872 40 0 GFABMO O=C(NC1CCC1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccc(Cl)c3)C[C@H]1C2 ZINC000306140321 209105523 /nfs/dbraw/zinc/10/55/23/209105523.db2.gz UPRKFLVGQDOYPL-HUUCEWRRSA-N 1 1 385.899 2.518 40 0 GFABMO C[NH+]1CCN(C(=O)CCc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000224888754 208936027 /nfs/dbraw/zinc/93/60/27/208936027.db2.gz XZGOABLPGITTNU-UHFFFAOYSA-N 1 1 378.270 2.811 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306127482 209097385 /nfs/dbraw/zinc/09/73/85/209097385.db2.gz FZJOCWJMLGQDAJ-ROUUACIJSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1ncsc1C[N@H+]1C[C@H]2[C@H](C1)N(Cc1ccccn1)C(=O)c1cccn12 ZINC000306127482 209097388 /nfs/dbraw/zinc/09/73/88/209097388.db2.gz FZJOCWJMLGQDAJ-ROUUACIJSA-N 1 1 379.489 2.730 40 0 GFABMO CC(C)Oc1ccc(C[N@H+]2CCC[C@@]3(Cc4c(nc(N)nc4N)O3)CC2)cc1 ZINC000257246487 209059235 /nfs/dbraw/zinc/05/92/35/209059235.db2.gz IUHNSSAYCMUEEV-NRFANRHFSA-N 1 1 383.496 2.788 40 0 GFABMO C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(=O)[nH]c(-c3ccccc3)n1)C2 ZINC000257262586 209061318 /nfs/dbraw/zinc/06/13/18/209061318.db2.gz LLZYDZZOTNLAOO-FCQWJQKHSA-N 1 1 378.476 2.937 40 0 GFABMO Cc1nc2ccccc2n1CCCC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257332065 209076908 /nfs/dbraw/zinc/07/69/08/209076908.db2.gz XVOVONTYYWXICZ-KCZVDYSFSA-N 1 1 395.507 2.853 40 0 GFABMO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@@H+]3Cc3cnccn3)ccc2c1N ZINC000257344917 209079717 /nfs/dbraw/zinc/07/97/17/209079717.db2.gz ZZFLRWOBJRIUJM-HNNXBMFYSA-N 1 1 382.493 2.707 40 0 GFABMO CN(C)C(=O)c1sc2nc([C@@H]3CCC[N@H+]3Cc3cnccn3)ccc2c1N ZINC000257344917 209079721 /nfs/dbraw/zinc/07/97/21/209079721.db2.gz ZZFLRWOBJRIUJM-HNNXBMFYSA-N 1 1 382.493 2.707 40 0 GFABMO O=C(C[N@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000072348737 222234962 /nfs/dbraw/zinc/23/49/62/222234962.db2.gz USSMUHQAXOKUOI-IBGZPJMESA-N 1 1 397.494 2.850 40 0 GFABMO O=C(C[N@@H+]1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000072348737 222234964 /nfs/dbraw/zinc/23/49/64/222234964.db2.gz USSMUHQAXOKUOI-IBGZPJMESA-N 1 1 397.494 2.850 40 0 GFABMO C[N@H+]1CC[C@H](c2nn(CCNC(=O)CCC3CCCCC3)c3nccnc23)C1 ZINC000072391676 222248719 /nfs/dbraw/zinc/24/87/19/222248719.db2.gz PXEMKAYINYRYOD-KRWDZBQOSA-N 1 1 384.528 2.722 40 0 GFABMO CC(=O)NC(=S)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000408624274 526688340 /nfs/dbraw/zinc/68/83/40/526688340.db2.gz BYEAMMUGOTZHLY-UHFFFAOYSA-N 1 1 386.496 2.981 40 0 GFABMO O=C(NCCSc1nc[nH]n1)[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000225904083 553060752 /nfs/dbraw/zinc/06/07/52/553060752.db2.gz SVRJTQGUSPPBCE-CQSZACIVSA-N 1 1 379.917 2.579 40 0 GFABMO CC(=O)N[C@]12CN(C(=O)c3ccc(F)cc3)[C@H](c3ccccc3)[C@H]1CC[N@H+](C)C2 ZINC000585261221 570227864 /nfs/dbraw/zinc/22/78/64/570227864.db2.gz NVDDPGMBDIKINX-MQSCRBSSSA-N 1 1 395.478 2.849 40 0 GFABMO CC(=O)N[C@@H]1C[C@@H](Oc2cccc(Cl)c2)[C@H](O)[C@H]1[N@@H+](C)Cc1ccccc1 ZINC000585262444 570230426 /nfs/dbraw/zinc/23/04/26/570230426.db2.gz OBTOQFDHQSTWQK-CGXNFDGLSA-N 1 1 388.895 2.857 40 0 GFABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CC[N@H+]3C[C@@H]2CC[C@@H]1O ZINC000005707328 570452250 /nfs/dbraw/zinc/45/22/50/570452250.db2.gz WMMZYEBFJWWUJX-LFXFZHITSA-N 1 1 384.476 2.656 40 0 GFABMO COC(=O)[C@@H]1[C@@H]2C[C@@H]3c4[nH]c5cccc(OC)c5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1O ZINC000005707328 570452253 /nfs/dbraw/zinc/45/22/53/570452253.db2.gz WMMZYEBFJWWUJX-LFXFZHITSA-N 1 1 384.476 2.656 40 0 GFABMO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012115932 570610554 /nfs/dbraw/zinc/61/05/54/570610554.db2.gz SNMQUCWCZJVZLT-AWEZNQCLSA-N 1 1 385.493 2.930 40 0 GFABMO Cc1cc(-c2c[nH]nc2[C@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012115932 570610555 /nfs/dbraw/zinc/61/05/55/570610555.db2.gz SNMQUCWCZJVZLT-AWEZNQCLSA-N 1 1 385.493 2.930 40 0 GFABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000012118463 570612625 /nfs/dbraw/zinc/61/26/25/570612625.db2.gz UEGCMQNLXLEMCX-QGZVFWFLSA-N 1 1 383.496 2.940 40 0 GFABMO Cc1cc(-c2cnc(C)nc2[C@@H]2CCC[N@@H+](CC(=O)N3CCCCC3)C2)on1 ZINC000012118463 570612627 /nfs/dbraw/zinc/61/26/27/570612627.db2.gz UEGCMQNLXLEMCX-QGZVFWFLSA-N 1 1 383.496 2.940 40 0 GFABMO COC(=O)C1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000044914562 570642970 /nfs/dbraw/zinc/64/29/70/570642970.db2.gz QYNRKTDUNSZQSK-QGZVFWFLSA-N 1 1 378.900 2.964 40 0 GFABMO CCC[N@H+]1C[C@H](NC(=O)c2c(Cl)cnn2C)[C@@H](c2ccc(OC)cc2)C1 ZINC000012364787 570646681 /nfs/dbraw/zinc/64/66/81/570646681.db2.gz ISUUVUAIMXSPEL-WBVHZDCISA-N 1 1 376.888 2.690 40 0 GFABMO C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(NC(=O)c2cccc(F)c2)CC1 ZINC000004909425 570647925 /nfs/dbraw/zinc/64/79/25/570647925.db2.gz AFAIINPWCJNJJC-HNAYVOBHSA-N 1 1 375.488 2.715 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)c1 ZINC000072339809 570880004 /nfs/dbraw/zinc/88/00/04/570880004.db2.gz TUAVTMVJIYIHAO-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO Cn1ccnc1[C@@H](O)c1ccccc1N1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000072340480 570880348 /nfs/dbraw/zinc/88/03/48/570880348.db2.gz RNBOMXDCTBETBV-NRFANRHFSA-N 1 1 378.476 2.530 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104138 570930039 /nfs/dbraw/zinc/93/00/39/570930039.db2.gz LUMSSBWHAVZRPK-WOJBJXKFSA-N 1 1 386.536 2.717 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@@H](O)C4)C3)CC2)cc1F ZINC000585103027 570931695 /nfs/dbraw/zinc/93/16/95/570931695.db2.gz BHGBGFTZRMXRGX-RTBURBONSA-N 1 1 390.499 2.602 40 0 GFABMO Cc1cc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)oc1C ZINC000585106038 570935851 /nfs/dbraw/zinc/93/58/51/570935851.db2.gz GULBRPLDOVGKTG-MSOLQXFVSA-N 1 1 387.524 2.595 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@@H+](CC1CC1)C[C@@H]2c1cccnc1 ZINC000306140243 209106751 /nfs/dbraw/zinc/10/67/51/209106751.db2.gz UNVDHILINJPFTH-CTNGQTDRSA-N 1 1 383.517 2.750 40 0 GFABMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)c2cnn(-c3ccccc3F)c2n1 ZINC000036616818 207050177 /nfs/dbraw/zinc/05/01/77/207050177.db2.gz OJTCFNLXGGSEHB-HNNXBMFYSA-N 1 1 379.439 2.788 40 0 GFABMO CC(=O)NC1(c2ccccc2F)CC[NH+](Cc2ccnc(N3CCCC3)n2)CC1 ZINC000019021164 207100686 /nfs/dbraw/zinc/10/06/86/207100686.db2.gz YCURZKSNNLFZAA-UHFFFAOYSA-N 1 1 397.498 2.843 40 0 GFABMO Cc1ccc(C(=O)Nc2ccc3c(c2)nc(C[NH+]2CCCCC2)n3C)c(=O)n1C ZINC000019131864 207104875 /nfs/dbraw/zinc/10/48/75/207104875.db2.gz PHSJNGLPYKUPNQ-UHFFFAOYSA-N 1 1 393.491 2.819 40 0 GFABMO COc1ccc(C[N@H+]2CCc3nc(-c4cnc(C)cn4)[nH]c(=O)c3C2)c(C)c1C ZINC000019239073 207111764 /nfs/dbraw/zinc/11/17/64/207111764.db2.gz WFLOYDJYDISKBE-UHFFFAOYSA-N 1 1 391.475 2.719 40 0 GFABMO C[C@H]1CC(=O)N(c2cccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c2)C1=O ZINC000019462368 207124143 /nfs/dbraw/zinc/12/41/43/207124143.db2.gz QEISVLGGPLUDCX-OXJNMPFZSA-N 1 1 391.471 2.715 40 0 GFABMO C[C@H]1CC(=O)N(c2cccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2)C1=O ZINC000019462368 207124145 /nfs/dbraw/zinc/12/41/45/207124145.db2.gz QEISVLGGPLUDCX-OXJNMPFZSA-N 1 1 391.471 2.715 40 0 GFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4nccnc24)C3)C1 ZINC000019496600 207125542 /nfs/dbraw/zinc/12/55/42/207125542.db2.gz UTKPHQWKMYNEHC-OAHLLOKOSA-N 1 1 390.491 2.508 40 0 GFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4nccnc24)C3)C1 ZINC000019496600 207125547 /nfs/dbraw/zinc/12/55/47/207125547.db2.gz UTKPHQWKMYNEHC-OAHLLOKOSA-N 1 1 390.491 2.508 40 0 GFABMO CCc1cc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)no1 ZINC000019522657 207127320 /nfs/dbraw/zinc/12/73/20/207127320.db2.gz JZBCUYROFIYWNR-GOSISDBHSA-N 1 1 399.495 2.867 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1 ZINC000019551444 207132827 /nfs/dbraw/zinc/13/28/27/207132827.db2.gz MESQWJMDPUOWOV-INIZCTEOSA-N 1 1 392.459 2.839 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4ccncc4)n3)C2)c(OC)c1 ZINC000019552351 207133183 /nfs/dbraw/zinc/13/31/83/207133183.db2.gz VYGBZDQBRCOQDH-MRXNPFEDSA-N 1 1 394.479 2.665 40 0 GFABMO Cc1nc(C)c(C(=O)N2CCC[C@H]2c2cc(N3CCN(C)CC3)cc(C)[nH+]2)o1 ZINC000019698319 207147927 /nfs/dbraw/zinc/14/79/27/207147927.db2.gz NUTGYNWMGSJTSF-IBGZPJMESA-N 1 1 383.496 2.724 40 0 GFABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)CCCN1CCCC1=O ZINC000019589212 207140806 /nfs/dbraw/zinc/14/08/06/207140806.db2.gz GNTIVKJSXMGBLO-WOIUINJBSA-N 1 1 387.499 2.617 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)CCn3ncc4ccccc43)ncc2C1 ZINC000019590511 207141669 /nfs/dbraw/zinc/14/16/69/207141669.db2.gz BMMVTEYVDHJAMA-HXUWFJFHSA-N 1 1 390.491 2.568 40 0 GFABMO Cc1cc(N2CCC[C@@H](N(C)S(=O)(=O)Cc3ccccc3)CC2)nc(C)[nH+]1 ZINC000019749777 207158828 /nfs/dbraw/zinc/15/88/28/207158828.db2.gz IIOIWRNJHCGQFY-LJQANCHMSA-N 1 1 388.537 2.914 40 0 GFABMO CN(C)c1ncc(C[NH+]2CCC(CC(=O)NCCc3ccccc3F)CC2)cn1 ZINC000019748493 207159276 /nfs/dbraw/zinc/15/92/76/207159276.db2.gz PBOMQDOCGFLBET-UHFFFAOYSA-N 1 1 399.514 2.643 40 0 GFABMO CCCNC(=O)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096155935 208278785 /nfs/dbraw/zinc/27/87/85/208278785.db2.gz SDVTZHKDCGJRRH-UHFFFAOYSA-N 1 1 377.492 2.796 40 0 GFABMO Cc1nc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)c2c[nH]cn2)CCC3(F)F)cs1 ZINC000096078127 208260591 /nfs/dbraw/zinc/26/05/91/208260591.db2.gz QNEDSSLQGIXUOV-INIZCTEOSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1nc(C[N@H+]2CC[C@]3(C2)CN(C(=O)c2c[nH]cn2)CCC3(F)F)cs1 ZINC000096078127 208260598 /nfs/dbraw/zinc/26/05/98/208260598.db2.gz QNEDSSLQGIXUOV-INIZCTEOSA-N 1 1 381.452 2.548 40 0 GFABMO CCc1ccc(CN2CC[C@]3(CC(C(=O)N4CCC([NH+](C)C)CC4)=NO3)C2)cc1 ZINC000096225678 208288200 /nfs/dbraw/zinc/28/82/00/208288200.db2.gz RYUIMIWCOVBLAJ-QHCPKHFHSA-N 1 1 398.551 2.522 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000306134104 209102685 /nfs/dbraw/zinc/10/26/85/209102685.db2.gz NDOACNRXYQNQMM-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)cc1 ZINC000306134104 209102689 /nfs/dbraw/zinc/10/26/89/209102689.db2.gz NDOACNRXYQNQMM-YADHBBJMSA-N 1 1 388.471 2.973 40 0 GFABMO Cc1ncsc1C[N@@H+]1C[C@@H]2Cc3nnc(C(=O)Nc4ccccc4)n3C[C@H]2C1 ZINC000306132737 209101947 /nfs/dbraw/zinc/10/19/47/209101947.db2.gz LQORPFSXRMOYIO-LSDHHAIUSA-N 1 1 394.504 2.600 40 0 GFABMO C[N@@H+]1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccsc1)C2 ZINC000306134850 209101924 /nfs/dbraw/zinc/10/19/24/209101924.db2.gz NZQUXYWOUUZYOM-CQSZACIVSA-N 1 1 375.469 2.898 40 0 GFABMO C[N@H+]1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1ccsc1)C2 ZINC000306134850 209101925 /nfs/dbraw/zinc/10/19/25/209101925.db2.gz NZQUXYWOUUZYOM-CQSZACIVSA-N 1 1 375.469 2.898 40 0 GFABMO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccccc1F ZINC000257208458 209056280 /nfs/dbraw/zinc/05/62/80/209056280.db2.gz BMFONWGXSDVFGE-XLIONFOSSA-N 1 1 386.471 2.837 40 0 GFABMO COc1cccc(OC)c1OCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)C2 ZINC000257217001 209058240 /nfs/dbraw/zinc/05/82/40/209058240.db2.gz CXBKMDLFZKBCNW-TUXJCPBXSA-N 1 1 388.508 2.946 40 0 GFABMO Cc1cc(C)nc(N2CCC[C@@H](C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)C2)n1 ZINC000170613640 136199000 /nfs/dbraw/zinc/19/90/00/136199000.db2.gz ZALXBUPLKWCELC-ZCNNSNEGSA-N 1 1 385.556 2.691 40 0 GFABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@H+](CC(=O)Nc3ncc(C)s3)CC[C@H]21 ZINC000257304367 209073296 /nfs/dbraw/zinc/07/32/96/209073296.db2.gz SLHSWPZZNBCQKQ-GUDVDZBRSA-N 1 1 398.532 2.726 40 0 GFABMO CC(=O)N1C[C@H](c2ccccc2)[C@H]2C[N@@H+](CC(=O)Nc3ncc(C)s3)CC[C@H]21 ZINC000257304367 209073299 /nfs/dbraw/zinc/07/32/99/209073299.db2.gz SLHSWPZZNBCQKQ-GUDVDZBRSA-N 1 1 398.532 2.726 40 0 GFABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1 ZINC000072345981 222233396 /nfs/dbraw/zinc/23/33/96/222233396.db2.gz UMZOYTIWHZKSBE-QGZVFWFLSA-N 1 1 388.475 2.599 40 0 GFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@H+](Cc4cccs4)C[C@H]2N(C)C3=O)cn1 ZINC000514290382 560029198 /nfs/dbraw/zinc/02/91/98/560029198.db2.gz ZRLUNQCOGNLVFP-QUCCMNQESA-N 1 1 394.500 2.866 40 0 biogenic,in-vitro GFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4cccs4)C[C@H]2N(C)C3=O)cn1 ZINC000514290382 560029200 /nfs/dbraw/zinc/02/92/00/560029200.db2.gz ZRLUNQCOGNLVFP-QUCCMNQESA-N 1 1 394.500 2.866 40 0 biogenic,in-vitro GFABMO O=S(=O)(NCC[C@H]1Cn2cccc2C[N@H+](Cc2ccsc2)C1)C1CC1 ZINC000585095038 565104289 /nfs/dbraw/zinc/10/42/89/565104289.db2.gz AUELOPWJHKIVPX-OAHLLOKOSA-N 1 1 379.551 2.654 40 0 GFABMO O=S(=O)(NCC[C@H]1Cn2cccc2C[N@@H+](Cc2ccsc2)C1)C1CC1 ZINC000585095038 565104295 /nfs/dbraw/zinc/10/42/95/565104295.db2.gz AUELOPWJHKIVPX-OAHLLOKOSA-N 1 1 379.551 2.654 40 0 GFABMO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585269599 570237466 /nfs/dbraw/zinc/23/74/66/570237466.db2.gz ALXIQMVVPBITKH-FQEVSTJZSA-N 1 1 377.435 2.642 40 0 GFABMO CCOCCOc1ccc(C[N@@H+]2CC[C@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000585270291 570239399 /nfs/dbraw/zinc/23/93/99/570239399.db2.gz SWNOMQMBBSDXHO-FQEVSTJZSA-N 1 1 398.494 2.770 40 0 GFABMO COc1ccccc1CNC(=O)C[NH+]1CCC(O)(COc2ccc(C)cc2)CC1 ZINC000585273546 570242184 /nfs/dbraw/zinc/24/21/84/570242184.db2.gz PIGDMLZNVFVNEW-UHFFFAOYSA-N 1 1 398.503 2.526 40 0 GFABMO CCN1C(=O)CCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585285359 570254747 /nfs/dbraw/zinc/25/47/47/570254747.db2.gz XXOICYRUJMCHQT-SFTDATJTSA-N 1 1 385.552 2.802 40 0 GFABMO CCc1ccc(N2C[C@H](C(=O)N3CC[NH+](Cc4ccccc4)CC3)CC2=O)cc1 ZINC000021449725 570296054 /nfs/dbraw/zinc/29/60/54/570296054.db2.gz UZQJJQFOIDRZBP-OAQYLSRUSA-N 1 1 391.515 2.946 40 0 GFABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000072227276 570319015 /nfs/dbraw/zinc/31/90/15/570319015.db2.gz CHECZOLRODREAC-HZPDHXFCSA-N 1 1 377.238 2.882 40 0 GFABMO C[C@@H]1C[NH+](C[C@@H](O)COc2c(F)cc(Br)cc2F)C[C@@H](C)O1 ZINC000013301829 570391609 /nfs/dbraw/zinc/39/16/09/570391609.db2.gz MEDVQDWRNABAKE-CKYFFXLPSA-N 1 1 380.229 2.576 40 0 GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000005712635 570452546 /nfs/dbraw/zinc/45/25/46/570452546.db2.gz DGSADVAMZWFCMP-KOCOEAGCSA-N 1 1 381.472 2.505 40 0 GFABMO COC(=O)c1ccc(C)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000223864147 570487470 /nfs/dbraw/zinc/48/74/70/570487470.db2.gz SSFPKIZFMLXKDE-UHFFFAOYSA-N 1 1 399.472 2.754 40 0 GFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H]4CC[C@](O)(c5ncccc5C)[C@H]4C3)c2n1 ZINC000072389826 570576469 /nfs/dbraw/zinc/57/64/69/570576469.db2.gz DWDVNOSIESYJLT-LQBOVUBWSA-N 1 1 377.492 2.779 40 0 GFABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](c2nc(C)ncc2-c2ccncc2)C1 ZINC000012115924 570610685 /nfs/dbraw/zinc/61/06/85/570610685.db2.gz OBPZMKPLUNVMIC-GOSISDBHSA-N 1 1 376.464 2.758 40 0 GFABMO CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000044848206 570635748 /nfs/dbraw/zinc/63/57/48/570635748.db2.gz JSPZAKQWHALZTO-UHFFFAOYSA-N 1 1 384.461 2.618 40 0 GFABMO CN(C[C@H]1CC[C@H](c2cc(C[NH+](C)C)n(C)n2)CC1)C(=O)C[C@H]1CCCO1 ZINC000257311667 570907358 /nfs/dbraw/zinc/90/73/58/570907358.db2.gz UKOJRRYWYCQYHE-ZHALLVOQSA-N 1 1 376.545 2.783 40 0 GFABMO CC[NH+]1CCN([C@@H](c2nnnn2Cc2ccccc2)c2ccccc2F)CC1 ZINC000019528092 570928723 /nfs/dbraw/zinc/92/87/23/570928723.db2.gz PHEXIPXQIOLREB-HXUWFJFHSA-N 1 1 380.471 2.587 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H](O)C3)C2)CC1 ZINC000585104137 570930175 /nfs/dbraw/zinc/93/01/75/570930175.db2.gz LUMSSBWHAVZRPK-VQTJNVASSA-N 1 1 386.536 2.717 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@@H]32)c1 ZINC000585107955 570939472 /nfs/dbraw/zinc/93/94/72/570939472.db2.gz LXUYZONAOVRDRA-ICSRJNTNSA-N 1 1 386.517 2.899 40 0 GFABMO COc1cccc(C[N@H+]2C[C@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@@H]32)c1 ZINC000585107955 570939476 /nfs/dbraw/zinc/93/94/76/570939476.db2.gz LXUYZONAOVRDRA-ICSRJNTNSA-N 1 1 386.517 2.899 40 0 GFABMO O=C(CCc1ccc2c(c1)OCCO2)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000194607953 570944193 /nfs/dbraw/zinc/94/41/93/570944193.db2.gz MRYWEAHAQSVGHF-UHFFFAOYSA-N 1 1 396.487 2.539 40 0 GFABMO CCN1CC[N@@H+](CCC(N)=O)C[C@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172744 570997624 /nfs/dbraw/zinc/99/76/24/570997624.db2.gz DGSUSZFUKKEHLZ-NRFANRHFSA-N 1 1 393.531 2.860 40 0 GFABMO Cn1cc(C[N@H+]2CCC[C@]3(CN(C)Cc4c(-c5ccccc5)ncn43)C2)cn1 ZINC000306143190 209108093 /nfs/dbraw/zinc/10/80/93/209108093.db2.gz XVNOKLACECYZDA-QFIPXVFZSA-N 1 1 376.508 2.720 40 0 GFABMO Cn1cc(C[N@@H+]2CCC[C@]3(CN(C)Cc4c(-c5ccccc5)ncn43)C2)cn1 ZINC000306143190 209108088 /nfs/dbraw/zinc/10/80/88/209108088.db2.gz XVNOKLACECYZDA-QFIPXVFZSA-N 1 1 376.508 2.720 40 0 GFABMO Cn1cc(CN2CCC[C@@]3(C2)C[N@@H+](C)Cc2c(-c4ccccc4)ncn23)cn1 ZINC000306143190 209108086 /nfs/dbraw/zinc/10/80/86/209108086.db2.gz XVNOKLACECYZDA-QFIPXVFZSA-N 1 1 376.508 2.720 40 0 GFABMO COc1ccccc1C[N@@H+]1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000019017129 207100122 /nfs/dbraw/zinc/10/01/22/207100122.db2.gz MDODELSHNBWIOQ-SFHVURJKSA-N 1 1 380.492 2.769 40 0 GFABMO COc1ccccc1C[N@H+]1CCc2nc([C@H]3CCCN(C(C)=O)C3)ncc2C1 ZINC000019017129 207100126 /nfs/dbraw/zinc/10/01/26/207100126.db2.gz MDODELSHNBWIOQ-SFHVURJKSA-N 1 1 380.492 2.769 40 0 GFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CC[N@H+](Cc1ccccc1)C2 ZINC000019286130 207113117 /nfs/dbraw/zinc/11/31/17/207113117.db2.gz UBNGLSVTBDNRFO-UHFFFAOYSA-N 1 1 394.519 2.559 40 0 GFABMO Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CC[N@@H+](Cc1ccccc1)C2 ZINC000019286130 207113121 /nfs/dbraw/zinc/11/31/21/207113121.db2.gz UBNGLSVTBDNRFO-UHFFFAOYSA-N 1 1 394.519 2.559 40 0 GFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000019365189 207118902 /nfs/dbraw/zinc/11/89/02/207118902.db2.gz KHSSVTFHEAVQGB-MRXNPFEDSA-N 1 1 376.932 2.814 40 0 GFABMO CCc1cc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@H+](C(C)C)CC3)no1 ZINC000019522658 207128967 /nfs/dbraw/zinc/12/89/67/207128967.db2.gz JZBCUYROFIYWNR-SFHVURJKSA-N 1 1 399.495 2.867 40 0 GFABMO COc1ccccc1N1CC[NH+](C[C@@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000019571206 207136517 /nfs/dbraw/zinc/13/65/17/207136517.db2.gz LEPNJXLFGQSOEE-LJQANCHMSA-N 1 1 384.476 2.712 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1C ZINC000019571113 207136792 /nfs/dbraw/zinc/13/67/92/207136792.db2.gz HFJIZPQZQXXZQO-SFHVURJKSA-N 1 1 394.519 2.730 40 0 GFABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019575355 207138045 /nfs/dbraw/zinc/13/80/45/207138045.db2.gz XHCALFYQEZPZDG-YZGWKJHDSA-N 1 1 376.504 2.724 40 0 GFABMO O=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019662151 207147289 /nfs/dbraw/zinc/14/72/89/207147289.db2.gz DBCNSDJMPRTNBF-FQEVSTJZSA-N 1 1 398.894 2.963 40 0 GFABMO O=C([C@@H]1CC(c2ccccc2Cl)=NO1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019662151 207147294 /nfs/dbraw/zinc/14/72/94/207147294.db2.gz DBCNSDJMPRTNBF-FQEVSTJZSA-N 1 1 398.894 2.963 40 0 GFABMO C[N@H+]1CCc2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)ncc2C1 ZINC000019590671 207140996 /nfs/dbraw/zinc/14/09/96/207140996.db2.gz OAQIBBNPHSACCQ-UHFFFAOYSA-N 1 1 382.483 2.942 40 0 GFABMO COc1ccc(CN2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1OC ZINC000019588674 207142132 /nfs/dbraw/zinc/14/21/32/207142132.db2.gz WXQCPDGJSUVQJL-QGZVFWFLSA-N 1 1 382.508 2.861 40 0 GFABMO O=C(NC1CCOCC1)c1ccc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)nc1 ZINC000019706077 207150302 /nfs/dbraw/zinc/15/03/02/207150302.db2.gz ZTUTYSXYEMHZPA-SFHVURJKSA-N 1 1 380.492 2.765 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)c2ccccc2CN2CCOCC2)CC1 ZINC000019657671 207146012 /nfs/dbraw/zinc/14/60/12/207146012.db2.gz KFWBLKOXNIBDFW-UHFFFAOYSA-N 1 1 396.535 2.966 40 0 GFABMO Cn1nc([C@@H]2CCCN(S(=O)(=O)c3cccc(Cl)c3)C2)cc1C[NH+](C)C ZINC000019709005 207150961 /nfs/dbraw/zinc/15/09/61/207150961.db2.gz SBVAIMYSHQWQAG-CQSZACIVSA-N 1 1 396.944 2.703 40 0 GFABMO Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@H]4CCC[N@H+](C)C4)C3)cc21 ZINC000019711001 207152491 /nfs/dbraw/zinc/15/24/91/207152491.db2.gz SFJAWUVUXAUEDZ-HNNXBMFYSA-N 1 1 378.480 2.533 40 0 GFABMO c1ccc(N2CCCCC2)c(C[N@H+]2CCC[C@@H](c3nnc4n3CCNC4)C2)c1 ZINC000019711054 207152620 /nfs/dbraw/zinc/15/26/20/207152620.db2.gz HMGFCMBLJKWMEQ-LJQANCHMSA-N 1 1 380.540 2.751 40 0 GFABMO O=C(c1cccc(F)c1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096078187 208262251 /nfs/dbraw/zinc/26/22/51/208262251.db2.gz QFTXTBPMCLQXPQ-UHFFFAOYSA-N 1 1 383.467 2.976 40 0 GFABMO COc1ccc2c3c1O[C@@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000096316381 208306304 /nfs/dbraw/zinc/30/63/04/208306304.db2.gz FNIFBBNFYMIPEZ-HDESWQQZSA-N 1 1 395.499 2.895 40 0 biogenic,in-vitro GFABMO Cc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)s1 ZINC000096225905 208288349 /nfs/dbraw/zinc/28/83/49/208288349.db2.gz KVLIBFKJJRVMBR-HXUWFJFHSA-N 1 1 384.505 2.831 40 0 GFABMO C[N@H+]1CCCN(C(=O)c2cc(-c3ccn(CC4CC4)n3)n3ccccc23)CC1 ZINC000096266693 208297599 /nfs/dbraw/zinc/29/75/99/208297599.db2.gz UMVIRZUNXLRJOX-UHFFFAOYSA-N 1 1 377.492 2.991 40 0 GFABMO CCn1ccc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(C[NH+](C)C)n(C)n3)CC2)n1 ZINC000100687601 208377789 /nfs/dbraw/zinc/37/77/89/208377789.db2.gz JETXJRVQIJXFNF-CALCHBBNSA-N 1 1 386.544 2.744 40 0 GFABMO Cc1ccsc1C[N@H+]1C[C@@H]2CCn3c(C(=O)NCc4ccco4)nnc3[C@@H]2C1 ZINC000306128371 209100015 /nfs/dbraw/zinc/10/00/15/209100015.db2.gz GYQOAJMPIUDIPW-GOEBONIOSA-N 1 1 397.504 2.790 40 0 GFABMO CN1CC[N@@H+](Cc2cccnc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306128341 209100056 /nfs/dbraw/zinc/10/00/56/209100056.db2.gz GXVXLGLYLLWKGE-FQEVSTJZSA-N 1 1 376.508 2.818 40 0 GFABMO CN1CC[N@H+](Cc2cccnc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306128341 209100053 /nfs/dbraw/zinc/10/00/53/209100053.db2.gz GXVXLGLYLLWKGE-FQEVSTJZSA-N 1 1 376.508 2.818 40 0 GFABMO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123238 209095655 /nfs/dbraw/zinc/09/56/55/209095655.db2.gz AIEYGXZHNLKIGI-RTWAWAEBSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123238 209095659 /nfs/dbraw/zinc/09/56/59/209095659.db2.gz AIEYGXZHNLKIGI-RTWAWAEBSA-N 1 1 388.471 2.973 40 0 GFABMO O=C(CC[N@@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000257299307 209071117 /nfs/dbraw/zinc/07/11/17/209071117.db2.gz RPMYKICAIACPQV-NRFANRHFSA-N 1 1 399.466 2.510 40 0 GFABMO O=C(CC[N@H+]1CCO[C@H](c2cccc(-c3cccc(F)c3)n2)C1)N1CCOCC1 ZINC000257299307 209071123 /nfs/dbraw/zinc/07/11/23/209071123.db2.gz RPMYKICAIACPQV-NRFANRHFSA-N 1 1 399.466 2.510 40 0 GFABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051295 136183559 /nfs/dbraw/zinc/18/35/59/136183559.db2.gz STHCTFHDARZHHX-IBGZPJMESA-N 1 1 376.453 2.522 40 0 GFABMO O=C1CO[C@@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051295 136183560 /nfs/dbraw/zinc/18/35/60/136183560.db2.gz STHCTFHDARZHHX-IBGZPJMESA-N 1 1 376.453 2.522 40 0 GFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2cccc(Nc3ncccc3C)n2)CC1 ZINC000257342803 209078053 /nfs/dbraw/zinc/07/80/53/209078053.db2.gz ZQFXSCDOUCXRFD-QGZVFWFLSA-N 1 1 397.523 2.859 40 0 GFABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1 ZINC000072345965 222233501 /nfs/dbraw/zinc/23/35/01/222233501.db2.gz REKAIGNFKCWGGJ-GOSISDBHSA-N 1 1 388.475 2.599 40 0 GFABMO COc1ccc2c3c1O[C@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 ZINC000034406448 560087153 /nfs/dbraw/zinc/08/71/53/560087153.db2.gz HXFDWGKUUFPMRG-MVMBAIFLSA-N 1 1 397.515 2.686 40 0 biogenic,in-vitro GFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@H+](Cc2cccs2)CC[C@@]1(C)O ZINC000514289951 564449105 /nfs/dbraw/zinc/44/91/05/564449105.db2.gz PKZNYKFIKGYGDK-OKZBNKHCSA-N 1 1 380.535 2.639 40 0 biogenic,in-vitro GFABMO COCC(=O)N[C@H]1[C@H](c2cccs2)[N@@H+](Cc2cccs2)CC[C@@]1(C)O ZINC000514289951 564449110 /nfs/dbraw/zinc/44/91/10/564449110.db2.gz PKZNYKFIKGYGDK-OKZBNKHCSA-N 1 1 380.535 2.639 40 0 biogenic,in-vitro GFABMO O=C(C[N@@H+]1CCC[C@](O)(COc2ccccc2F)CC1)NCc1ccccc1 ZINC000585272853 570241013 /nfs/dbraw/zinc/24/10/13/570241013.db2.gz KBZKWIGRCATHHP-JOCHJYFZSA-N 1 1 386.467 2.738 40 0 GFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)s2)cc1OC ZINC000072227063 570319198 /nfs/dbraw/zinc/31/91/98/570319198.db2.gz LZJVMQOMDCTPKE-CABCVRRESA-N 1 1 397.294 2.939 40 0 GFABMO O=C(NCc1ccc(C[NH+]2CCOCC2)cc1)c1ccc(Cn2ccnc2)cc1 ZINC000038831766 570584672 /nfs/dbraw/zinc/58/46/72/570584672.db2.gz OXNZOOOOADLBMW-UHFFFAOYSA-N 1 1 390.487 2.694 40 0 GFABMO COc1cccc(OC)c1C[N@@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000012121957 570613133 /nfs/dbraw/zinc/61/31/33/570613133.db2.gz FATXOJTXAZZJPM-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1cccc(OC)c1C[N@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000012121957 570613137 /nfs/dbraw/zinc/61/31/37/570613137.db2.gz FATXOJTXAZZJPM-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO C[C@@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](CC2=Cc4ccccc4OC2)CC3)C1 ZINC000012183129 570619713 /nfs/dbraw/zinc/61/97/13/570619713.db2.gz BWJHSXLTUNWNNR-MRXNPFEDSA-N 1 1 392.503 2.840 40 0 GFABMO O=S(=O)(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(Cl)cc1 ZINC000047266675 570653603 /nfs/dbraw/zinc/65/36/03/570653603.db2.gz WGGWGJMSXUXQEF-UHFFFAOYSA-N 1 1 380.897 2.651 40 0 GFABMO CCCC[C@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019502133 570927391 /nfs/dbraw/zinc/92/73/91/570927391.db2.gz KCEVYYSXRGMEHG-LEWJYISDSA-N 1 1 398.555 2.901 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(F)cc2)CC1 ZINC000585106193 570936489 /nfs/dbraw/zinc/93/64/89/570936489.db2.gz BEPGMPGMSAIRTD-LZQZEXGQSA-N 1 1 387.499 2.667 40 0 GFABMO CC(C)(C)OC(=O)N1CC[NH2+][C@]2(CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000306145993 209108034 /nfs/dbraw/zinc/10/80/34/209108034.db2.gz YKJPAXIHYKTYKE-FQEVSTJZSA-N 1 1 375.469 2.608 40 0 GFABMO CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019020018 207100900 /nfs/dbraw/zinc/10/09/00/207100900.db2.gz CNFHZOOCOZCMJO-NHCUHLMSSA-N 1 1 383.467 2.908 40 0 GFABMO CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccc(F)cc1 ZINC000019020018 207100905 /nfs/dbraw/zinc/10/09/05/207100905.db2.gz CNFHZOOCOZCMJO-NHCUHLMSSA-N 1 1 383.467 2.908 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018615 207100102 /nfs/dbraw/zinc/10/01/02/207100102.db2.gz RGOQMNUXEJWEHK-FQEVSTJZSA-N 1 1 384.455 2.736 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3CCOc3ccc(F)cc3)ncc2C1 ZINC000019018615 207100105 /nfs/dbraw/zinc/10/01/05/207100105.db2.gz RGOQMNUXEJWEHK-FQEVSTJZSA-N 1 1 384.455 2.736 40 0 GFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](C[C@H]4CC=CCC4)C3)[nH]c(=O)c2C1 ZINC000019014465 207100251 /nfs/dbraw/zinc/10/02/51/207100251.db2.gz SWAILVFTAAUJJV-FUHWJXTLSA-N 1 1 396.535 2.600 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019079334 207101277 /nfs/dbraw/zinc/10/12/77/207101277.db2.gz PCLAPBBDRZLSPW-QAPCUYQASA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C)ncc2C1 ZINC000019079334 207101280 /nfs/dbraw/zinc/10/12/80/207101280.db2.gz PCLAPBBDRZLSPW-QAPCUYQASA-N 1 1 396.491 2.604 40 0 GFABMO COc1ccc(C)cc1CC(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019132982 207104833 /nfs/dbraw/zinc/10/48/33/207104833.db2.gz WLUYEMABNSQUOF-UHFFFAOYSA-N 1 1 394.519 2.730 40 0 GFABMO Cc1ccc2nc(C(F)(F)F)n(CC(=O)N[C@H](C)CC[NH+]3CCOCC3)c2c1 ZINC000019221449 207106924 /nfs/dbraw/zinc/10/69/24/207106924.db2.gz OBUMVUQBJSXIGG-CQSZACIVSA-N 1 1 398.429 2.591 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cnc(C(C)C)nc4)C3)ncc2C1 ZINC000019454070 207124264 /nfs/dbraw/zinc/12/42/64/207124264.db2.gz FJATYRWMMVUPER-SFHVURJKSA-N 1 1 394.523 2.674 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](Cc4cnc(C(C)C)nc4)C3)ncc2C1 ZINC000019454070 207124269 /nfs/dbraw/zinc/12/42/69/207124269.db2.gz FJATYRWMMVUPER-SFHVURJKSA-N 1 1 394.523 2.674 40 0 GFABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@H+](CC(=O)NC4CC4)C3)cc2N1 ZINC000019520801 207127080 /nfs/dbraw/zinc/12/70/80/207127080.db2.gz LDPQKVOLCWPZKP-LALPHHSUSA-N 1 1 385.434 2.649 40 0 GFABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CC[N@@H+](CC(=O)NC4CC4)C3)cc2N1 ZINC000019520801 207127084 /nfs/dbraw/zinc/12/70/84/207127084.db2.gz LDPQKVOLCWPZKP-LALPHHSUSA-N 1 1 385.434 2.649 40 0 GFABMO CCOc1ccccc1C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019520063 207127429 /nfs/dbraw/zinc/12/74/29/207127429.db2.gz TURYVTCRAZREMB-MRXNPFEDSA-N 1 1 380.492 2.883 40 0 GFABMO COc1cc(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2Cc2ccccc2)ccc1OCCO ZINC000019550241 207130010 /nfs/dbraw/zinc/13/00/10/207130010.db2.gz WVFOOJWYUUJCGK-VXKWHMMOSA-N 1 1 396.531 2.958 40 0 GFABMO CC[NH+]1CCN(C2CCN(C(=O)Cn3c(C)nc4cc(C)c(C)cc43)CC2)CC1 ZINC000019528131 207130432 /nfs/dbraw/zinc/13/04/32/207130432.db2.gz NMPQHCWGTYFTOD-UHFFFAOYSA-N 1 1 397.567 2.590 40 0 GFABMO CCOc1cc(C[N@H+]2CCC[C@H](c3nc(COC)cc(=O)[nH]3)C2)ccc1OC ZINC000019532000 207130677 /nfs/dbraw/zinc/13/06/77/207130677.db2.gz XXVPSXOGLBHACO-INIZCTEOSA-N 1 1 387.480 2.703 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000019448277 207121290 /nfs/dbraw/zinc/12/12/90/207121290.db2.gz PJRTXSDZABUZAG-IBGZPJMESA-N 1 1 398.482 2.582 40 0 GFABMO COc1cccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c1F ZINC000019567169 207136002 /nfs/dbraw/zinc/13/60/02/207136002.db2.gz QNNZHDLFXFSFEH-UHFFFAOYSA-N 1 1 380.423 2.580 40 0 GFABMO Cc1c(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccs3)CC2)cnn1C ZINC000019553720 207132795 /nfs/dbraw/zinc/13/27/95/207132795.db2.gz CSBYONGNMSMNAA-LJQANCHMSA-N 1 1 383.521 2.589 40 0 GFABMO Cc1cc(N2CCN(C)CC2)cc([C@H]2CCCN2C(=O)c2cc(C(C)C)n[nH]2)[nH+]1 ZINC000019698311 207148914 /nfs/dbraw/zinc/14/89/14/207148914.db2.gz JGGMIRNUOUHQGK-OAQYLSRUSA-N 1 1 396.539 2.966 40 0 GFABMO Cc1nc(-c2ccc(CNC(=O)CC[N@@H+]3CCC[C@@H](C)C3)cc2)ccc1C(N)=O ZINC000019700575 207149861 /nfs/dbraw/zinc/14/98/61/207149861.db2.gz URSJLCVBGPETGS-MRXNPFEDSA-N 1 1 394.519 2.894 40 0 GFABMO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@]12CCc1ccccc1C2=O ZINC000019593512 207142985 /nfs/dbraw/zinc/14/29/85/207142985.db2.gz FPLUFNZDGDCNJF-XUZZJYLKSA-N 1 1 392.499 2.697 40 0 GFABMO COCCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(=O)c1ccc(F)cc1 ZINC000019593500 207143566 /nfs/dbraw/zinc/14/35/66/207143566.db2.gz PSRXPCBSUFHNAY-WOJBJXKFSA-N 1 1 384.451 2.519 40 0 GFABMO Cc1nn([C@@H](C)CC(=O)N2CCC(Cc3cc(N)nc(C)[nH+]3)CC2)c(C)c1C ZINC000019758419 207159952 /nfs/dbraw/zinc/15/99/52/207159952.db2.gz PBFXGZVOTFDAJB-ZDUSSCGKSA-N 1 1 384.528 2.921 40 0 GFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(C(=O)OC)cc1 ZINC000020105642 207177067 /nfs/dbraw/zinc/17/70/67/207177067.db2.gz BDPYAAFNWLNOJI-GOSISDBHSA-N 1 1 382.526 2.547 40 0 GFABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072355548 208001505 /nfs/dbraw/zinc/00/15/05/208001505.db2.gz RXEDHTRNMOASRV-QGZVFWFLSA-N 1 1 382.512 2.588 40 0 GFABMO CC(C)c1nccn1-c1cncc([C@@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)n1 ZINC000072355548 208001509 /nfs/dbraw/zinc/00/15/09/208001509.db2.gz RXEDHTRNMOASRV-QGZVFWFLSA-N 1 1 382.512 2.588 40 0 GFABMO COc1cccc(-c2nccnc2[C@H]2CCC[N@@H+](CC(=O)N3CCCC3)C2)c1 ZINC000072358554 208004129 /nfs/dbraw/zinc/00/41/29/208004129.db2.gz CLFLFKGBJDAPDR-SFHVURJKSA-N 1 1 380.492 2.954 40 0 GFABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370421 208006289 /nfs/dbraw/zinc/00/62/89/208006289.db2.gz RVTNISFSKWKCHA-HNNXBMFYSA-N 1 1 398.532 2.944 40 0 GFABMO O=C(NCCO)c1sc2ccccc2c1C[C@@H]1CCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370421 208006293 /nfs/dbraw/zinc/00/62/93/208006293.db2.gz RVTNISFSKWKCHA-HNNXBMFYSA-N 1 1 398.532 2.944 40 0 GFABMO CCC(=O)N1CCC2(C[C@@H](CC(=O)N3CC[NH+](C)CC3)c3ccccc32)CC1 ZINC000096242254 208293280 /nfs/dbraw/zinc/29/32/80/208293280.db2.gz XIYKEWAZNCGFIT-GOSISDBHSA-N 1 1 383.536 2.608 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)cc1 ZINC000306135767 209103249 /nfs/dbraw/zinc/10/32/49/209103249.db2.gz PADGUJWXOZCWEE-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccncc4)C[C@H]32)cc1 ZINC000306135767 209103253 /nfs/dbraw/zinc/10/32/53/209103253.db2.gz PADGUJWXOZCWEE-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO Cc1cccc(C[N@H+]2CCC[C@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124773 209098077 /nfs/dbraw/zinc/09/80/77/209098077.db2.gz BZACACACWPNDCQ-SFHVURJKSA-N 1 1 392.507 2.649 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccoc3)C[C@H]1C2 ZINC000306126741 209097676 /nfs/dbraw/zinc/09/76/76/209097676.db2.gz FDULWWGQZVCOBF-CABCVRRESA-N 1 1 381.411 2.567 40 0 GFABMO COc1nc2ccccc2cc1CNC[C@H]1CC[C@@]2(COCC[N@@H+](C(C)C)C2)O1 ZINC000248156274 209029194 /nfs/dbraw/zinc/02/91/94/209029194.db2.gz IQNBXMKHZHCZIZ-NFBKMPQASA-N 1 1 399.535 2.991 40 0 GFABMO COc1nc2ccccc2cc1CNC[C@H]1CC[C@@]2(COCC[N@H+](C(C)C)C2)O1 ZINC000248156274 209029199 /nfs/dbraw/zinc/02/91/99/209029199.db2.gz IQNBXMKHZHCZIZ-NFBKMPQASA-N 1 1 399.535 2.991 40 0 GFABMO Fc1ccccc1OCCc1cc([C@H]2C[N@@H+](C3CCOCC3)CCO2)[nH]n1 ZINC000257269000 209064854 /nfs/dbraw/zinc/06/48/54/209064854.db2.gz MODMSEXIDJUDDU-HXUWFJFHSA-N 1 1 375.444 2.723 40 0 GFABMO Fc1ccccc1OCCc1cc([C@H]2C[N@H+](C3CCOCC3)CCO2)[nH]n1 ZINC000257269000 209064858 /nfs/dbraw/zinc/06/48/58/209064858.db2.gz MODMSEXIDJUDDU-HXUWFJFHSA-N 1 1 375.444 2.723 40 0 GFABMO Fc1ccccc1OCCc1cc([C@@H]2C[N@@H+](C3CCOCC3)CCO2)[nH]n1 ZINC000257268999 209065047 /nfs/dbraw/zinc/06/50/47/209065047.db2.gz MODMSEXIDJUDDU-FQEVSTJZSA-N 1 1 375.444 2.723 40 0 GFABMO Fc1ccccc1OCCc1cc([C@@H]2C[N@H+](C3CCOCC3)CCO2)[nH]n1 ZINC000257268999 209065051 /nfs/dbraw/zinc/06/50/51/209065051.db2.gz MODMSEXIDJUDDU-FQEVSTJZSA-N 1 1 375.444 2.723 40 0 GFABMO C[C@H](C[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335497 136168399 /nfs/dbraw/zinc/16/83/99/136168399.db2.gz FABMBFBEXQWRLX-BRWVUGGUSA-N 1 1 382.508 2.958 40 0 GFABMO CN(C(=O)c1cc2cc(Cl)ccc2o1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257338255 209078675 /nfs/dbraw/zinc/07/86/75/209078675.db2.gz YWQGFHPCIGRSNH-GPMSIDNRSA-N 1 1 392.883 2.772 40 0 GFABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072345963 222233143 /nfs/dbraw/zinc/23/31/43/222233143.db2.gz JXAUFCXKDBZSSB-SFHVURJKSA-N 1 1 388.475 2.599 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@@H+](CCOc4cccc(C)c4)C3)ncc2C1 ZINC000072390876 222246067 /nfs/dbraw/zinc/24/60/67/222246067.db2.gz DQYYJNVVXCENJI-IBGZPJMESA-N 1 1 394.519 2.948 40 0 GFABMO COC[C@@]1([NH3+])[C@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218124689 553053335 /nfs/dbraw/zinc/05/33/35/553053335.db2.gz PKVFIFUSPJJAJM-FGTMMUONSA-N 1 1 381.881 2.632 40 0 GFABMO COC[C@@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220680 553053496 /nfs/dbraw/zinc/05/34/96/553053496.db2.gz ZKJMIFCSCOFZLW-YESZJQIVSA-N 1 1 396.306 2.733 40 0 GFABMO C[C@]12CC[N@@H+](CC3(O)CCN(c4ccccc4F)CC3)[C@H]1CCCCC(=O)N2 ZINC000585283263 570251393 /nfs/dbraw/zinc/25/13/93/570251393.db2.gz MOSOFUYBHVOYDP-FPOVZHCZSA-N 1 1 389.515 2.680 40 0 GFABMO COc1cccc(CN2C(=O)[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2=O)c1Cl ZINC000664069788 570281070 /nfs/dbraw/zinc/28/10/70/570281070.db2.gz ZSAKFWCZHBMQEH-CALCHBBNSA-N 1 1 384.863 2.966 40 0 GFABMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048066031 570410797 /nfs/dbraw/zinc/41/07/97/570410797.db2.gz FWILCURGPSGSGA-YOXBVPKESA-N 1 1 389.496 2.882 40 0 GFABMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000048066031 570410799 /nfs/dbraw/zinc/41/07/99/570410799.db2.gz FWILCURGPSGSGA-YOXBVPKESA-N 1 1 389.496 2.882 40 0 GFABMO COC(=O)[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c2ccccc2O1 ZINC000260828194 570708513 /nfs/dbraw/zinc/70/85/13/570708513.db2.gz MNZJUSUFFPHZGL-RXVVDRJESA-N 1 1 394.471 2.866 40 0 GFABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103739 570929189 /nfs/dbraw/zinc/92/91/89/570929189.db2.gz OAVOYDLAPKLRLV-GOSISDBHSA-N 1 1 375.488 2.803 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@@H]32)c1 ZINC000585107956 570939776 /nfs/dbraw/zinc/93/97/76/570939776.db2.gz LXUYZONAOVRDRA-QUCCMNQESA-N 1 1 386.517 2.899 40 0 GFABMO COc1cccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@@H]32)c1 ZINC000585107956 570939780 /nfs/dbraw/zinc/93/97/80/570939780.db2.gz LXUYZONAOVRDRA-QUCCMNQESA-N 1 1 386.517 2.899 40 0 GFABMO COc1cc(C(=O)N2CC[C@H]([N@H+]3CCc4ccccc4C3)C2)cc(OC)c1OC ZINC000238874565 570981551 /nfs/dbraw/zinc/98/15/51/570981551.db2.gz NSLAIJNVHLOKGA-IBGZPJMESA-N 1 1 396.487 2.985 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCCc2nc3ccccc3n2C)[C@H]1O ZINC000257237061 222760691 /nfs/dbraw/zinc/76/06/91/222760691.db2.gz HEZFOONFSMYVHP-SFGWALBWSA-N 1 1 395.507 2.672 40 0 GFABMO C[C@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)nc(C2CC2)[nH+]1 ZINC000328989609 206239771 /nfs/dbraw/zinc/23/97/71/206239771.db2.gz IKBGFJCCWDJOBO-CQSZACIVSA-N 1 1 382.508 2.937 40 0 GFABMO C[C@H](CO)Nc1cc(N2CCc3cc(C(C)(C)O)ccc3C2)[nH+]c(C2CC2)n1 ZINC000328989609 206239775 /nfs/dbraw/zinc/23/97/75/206239775.db2.gz IKBGFJCCWDJOBO-CQSZACIVSA-N 1 1 382.508 2.937 40 0 GFABMO COc1ccc(N2C[C@@H](C(=O)N(C)C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2=O)cc1 ZINC000253412112 206282372 /nfs/dbraw/zinc/28/23/72/206282372.db2.gz PXMAICBDTVDHQB-BBTUJRGHSA-N 1 1 399.535 2.771 40 0 GFABMO CC[C@@H]1C[N@H+]2CC[C@]3(C(=O)Nc4ccccc43)[C@@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000017149644 207086477 /nfs/dbraw/zinc/08/64/77/207086477.db2.gz DAXYUDFNWXHGBE-XYEDMTIPSA-N 1 1 384.476 2.700 40 0 biogenic,in-vitro GFABMO CC(=O)Nc1ccc(C[N@@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000019022492 207101314 /nfs/dbraw/zinc/10/13/14/207101314.db2.gz OUZPQRHOCKRFTD-UHFFFAOYSA-N 1 1 381.480 2.689 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3c(nc(N4CCCCC4)[nH]c3=O)C2)cc1 ZINC000019022492 207101318 /nfs/dbraw/zinc/10/13/18/207101318.db2.gz OUZPQRHOCKRFTD-UHFFFAOYSA-N 1 1 381.480 2.689 40 0 GFABMO CC(=O)NCCn1nc([C@@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)c2nccnc21 ZINC000019213924 207107019 /nfs/dbraw/zinc/10/70/19/207107019.db2.gz LRNALZJKJIVDSZ-LJQANCHMSA-N 1 1 392.507 2.569 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)c3cccc(F)c3)[nH]c(=O)c2C1 ZINC000019448295 207122220 /nfs/dbraw/zinc/12/22/20/207122220.db2.gz AOSTXDPQKFNGCS-GOSISDBHSA-N 1 1 384.455 2.653 40 0 GFABMO COc1ccccc1C[N@H+]1CCC[C@@H](c2cc(C(=O)N3CCC(O)CC3)on2)C1 ZINC000019570279 207136253 /nfs/dbraw/zinc/13/62/53/207136253.db2.gz SOJCDNKLNDMMOY-MRXNPFEDSA-N 1 1 399.491 2.660 40 0 GFABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2CC1 ZINC000019706360 207150143 /nfs/dbraw/zinc/15/01/43/207150143.db2.gz ZEGKJKXUOMDKBW-IBGZPJMESA-N 1 1 392.507 2.544 40 0 GFABMO COc1ccc(OC)c(C(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590301 207142013 /nfs/dbraw/zinc/14/20/13/207142013.db2.gz MRFOENXOCOYZLU-IBGZPJMESA-N 1 1 396.491 2.849 40 0 GFABMO CC(=O)N1CCc2nnc([C@@H]3CCC[N@H+]3Cc3cn(C)c4ccccc34)n2CC1 ZINC000019710642 207152243 /nfs/dbraw/zinc/15/22/43/207152243.db2.gz XPYKITAQJQEPNU-FQEVSTJZSA-N 1 1 392.507 2.512 40 0 GFABMO CC(=O)N1CCc2nnc([C@@H]3CCC[N@@H+]3Cc3cn(C)c4ccccc34)n2CC1 ZINC000019710642 207152247 /nfs/dbraw/zinc/15/22/47/207152247.db2.gz XPYKITAQJQEPNU-FQEVSTJZSA-N 1 1 392.507 2.512 40 0 GFABMO C[N@H+]1CCC[C@@H](c2nnc3n2CCN(C(=O)c2cc(C4CCCCC4)no2)C3)C1 ZINC000019710992 207152511 /nfs/dbraw/zinc/15/25/11/207152511.db2.gz ILIXUBPXJUUBQH-MRXNPFEDSA-N 1 1 398.511 2.779 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715543 207154481 /nfs/dbraw/zinc/15/44/81/207154481.db2.gz IQHQSMBMVKZEJT-MRXNPFEDSA-N 1 1 380.496 2.742 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](c2nc3ccccc3n2C)C1 ZINC000019715543 207154486 /nfs/dbraw/zinc/15/44/86/207154486.db2.gz IQHQSMBMVKZEJT-MRXNPFEDSA-N 1 1 380.496 2.742 40 0 GFABMO Cc1cccn2cc(C(=O)N[C@H](CC[NH+]3CCOCC3)c3ccccc3)nc12 ZINC000019718780 207155375 /nfs/dbraw/zinc/15/53/75/207155375.db2.gz KSVNSCQOZVYVLV-LJQANCHMSA-N 1 1 378.476 2.836 40 0 GFABMO CNc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CC[N@H+](C)C2 ZINC000019752993 207159240 /nfs/dbraw/zinc/15/92/40/207159240.db2.gz UNSLMWVOPARBLM-SFHVURJKSA-N 1 1 393.535 2.845 40 0 GFABMO CNc1nc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)nc2c1CC[N@@H+](C)C2 ZINC000019752993 207159244 /nfs/dbraw/zinc/15/92/44/207159244.db2.gz UNSLMWVOPARBLM-SFHVURJKSA-N 1 1 393.535 2.845 40 0 GFABMO CC[N@@H+]1CCC[C@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914968 207265574 /nfs/dbraw/zinc/26/55/74/207265574.db2.gz KNLRYTVGFIYFAK-KRWDZBQOSA-N 1 1 383.471 2.735 40 0 GFABMO CC[N@H+]1CCC[C@H](NCc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)C1 ZINC000022914968 207265578 /nfs/dbraw/zinc/26/55/78/207265578.db2.gz KNLRYTVGFIYFAK-KRWDZBQOSA-N 1 1 383.471 2.735 40 0 GFABMO COCCNC(=O)c1ccccc1NC(=O)c1ccc(Cn2cc[nH+]c2C)cc1 ZINC000030940082 207376859 /nfs/dbraw/zinc/37/68/59/207376859.db2.gz NMSXYHDCZZGGHV-UHFFFAOYSA-N 1 1 392.459 2.868 40 0 GFABMO COc1ccc(C[N@@H+]2C[C@H]3CN(C(=O)CCc4cccnc4)C[C@H]3C2)cc1F ZINC000096245538 208294457 /nfs/dbraw/zinc/29/44/57/208294457.db2.gz MCGKZBTZBNOGIT-KDURUIRLSA-N 1 1 383.467 2.752 40 0 GFABMO Cc1ccsc1C[NH+]1CC2(C1)OCC[C@@H]2CCNC(=O)c1cscn1 ZINC000253599465 209044555 /nfs/dbraw/zinc/04/45/55/209044555.db2.gz QCYPIRGPUHUYOL-AWEZNQCLSA-N 1 1 377.535 2.924 40 0 GFABMO Cc1nc2ccccc2n1CCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257279090 209065792 /nfs/dbraw/zinc/06/57/92/209065792.db2.gz OEZJUPHMILWQSS-YFVAEKQCSA-N 1 1 381.480 2.511 40 0 GFABMO Cc1ccc(N2CCC3(CC2)[NH2+]CCn2c(-c4ccc(F)cc4)cnc23)nn1 ZINC000096145058 136184307 /nfs/dbraw/zinc/18/43/07/136184307.db2.gz LHSYWCHQWUTQQO-UHFFFAOYSA-N 1 1 378.455 2.887 40 0 GFABMO Cc1cnc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(C[NH+](C)C)n(C)n3)CC2)cn1 ZINC000257325519 209076478 /nfs/dbraw/zinc/07/64/78/209076478.db2.gz WTHROIWIKDBVTQ-QAQDUYKDSA-N 1 1 384.528 2.626 40 0 GFABMO N[C@@H]1C[C@@H](Oc2ccccc2F)[C@H](O)[C@H]1[NH+]1CCC(Cc2ccccc2)CC1 ZINC000257340068 209078478 /nfs/dbraw/zinc/07/84/78/209078478.db2.gz ZEHVCOMAVHRJSL-LGKPFJOYSA-N 1 1 384.495 2.988 40 0 GFABMO CCn1cc(C[N@H+]2C[C@H](NC(C)=O)[C@@H](c3cn(C)c4ccc(OC)cc34)C2)cn1 ZINC000072395733 222250375 /nfs/dbraw/zinc/25/03/75/222250375.db2.gz DYMYMHMGHUBJMV-RTWAWAEBSA-N 1 1 395.507 2.507 40 0 GFABMO C[NH+]1CCN(C(=O)CCc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000224879727 553058408 /nfs/dbraw/zinc/05/84/08/553058408.db2.gz MTBAQPLCWQIRAQ-UHFFFAOYSA-N 1 1 378.270 2.811 40 0 GFABMO O=C(CSCc1ccccc1Br)NCCC[NH+]1CCOCC1 ZINC000408577298 563560178 /nfs/dbraw/zinc/56/01/78/563560178.db2.gz XYRIILZYTOLSPF-UHFFFAOYSA-N 1 1 387.343 2.521 40 0 GFABMO COCCOc1cc(C[N@@H+](C)C[C@H](O)COc2ccccc2)ccc1OC ZINC000585262529 570230626 /nfs/dbraw/zinc/23/06/26/570230626.db2.gz MBUOBDRCXHCINE-SFHVURJKSA-N 1 1 375.465 2.592 40 0 GFABMO COc1cc(C[N@@H+](C)C[C@@H](O)COc2ccc(C)cc2C)ccc1OCCO ZINC000585262501 570230646 /nfs/dbraw/zinc/23/06/46/570230646.db2.gz GYWGMHPZQFWVLI-LJQANCHMSA-N 1 1 389.492 2.555 40 0 GFABMO CC(=O)N1CC[N@H+](C2CCCCCC2)C[C@](O)(COc2cccc(F)c2)C1 ZINC000585284683 570253915 /nfs/dbraw/zinc/25/39/15/570253915.db2.gz ZAAOSVBDEFTKMS-NRFANRHFSA-N 1 1 378.488 2.823 40 0 GFABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cccc(OC)c5c4CC[N@H+]3C[C@@H]2CC[C@@H]1O ZINC000005707327 570452241 /nfs/dbraw/zinc/45/22/41/570452241.db2.gz WMMZYEBFJWWUJX-RCVGXTDISA-N 1 1 384.476 2.656 40 0 GFABMO COC(=O)[C@@H]1[C@@H]2C[C@H]3c4[nH]c5cccc(OC)c5c4CC[N@@H+]3C[C@@H]2CC[C@@H]1O ZINC000005707327 570452242 /nfs/dbraw/zinc/45/22/42/570452242.db2.gz WMMZYEBFJWWUJX-RCVGXTDISA-N 1 1 384.476 2.656 40 0 GFABMO COc1ccc(OC)c(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000223709582 570480650 /nfs/dbraw/zinc/48/06/50/570480650.db2.gz TUSVPGSIUHTUBW-UHFFFAOYSA-N 1 1 387.461 2.676 40 0 GFABMO Cc1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1C ZINC000036634027 570566569 /nfs/dbraw/zinc/56/65/69/570566569.db2.gz GCFGHGCBNPUAFO-NRFANRHFSA-N 1 1 377.488 2.753 40 0 GFABMO CCOC(=O)N1CCN(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000038836311 570587247 /nfs/dbraw/zinc/58/72/47/570587247.db2.gz OMNZALSRRKNOKR-QGZVFWFLSA-N 1 1 393.915 2.853 40 0 GFABMO CC(=O)NC1(c2ccccc2F)CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000012113165 570609355 /nfs/dbraw/zinc/60/93/55/570609355.db2.gz RLWVWZSDLFVKKT-UHFFFAOYSA-N 1 1 375.488 2.511 40 0 GFABMO Cc1cc(-c2cncnc2C2CC[NH+](CC(=O)NCc3cccs3)CC2)on1 ZINC000012118308 570612715 /nfs/dbraw/zinc/61/27/15/570612715.db2.gz JYIMMSQNEUXALW-UHFFFAOYSA-N 1 1 397.504 2.997 40 0 GFABMO C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)Cn2c(=O)oc3cc(Cl)ccc32)C1 ZINC000012205189 570626008 /nfs/dbraw/zinc/62/60/08/570626008.db2.gz LGHFYKHEWJFKKA-OKILXGFUSA-N 1 1 379.888 2.732 40 0 GFABMO CC[N@H+]1C[C@@H](COCc2cccnc2)[C@]2(CCN(C(=O)c3ccnc(F)c3)C2)C1 ZINC000585102841 570931151 /nfs/dbraw/zinc/93/11/51/570931151.db2.gz KJCAXJARKBMABX-SIKLNZKXSA-N 1 1 398.482 2.617 40 0 GFABMO Cc1cc(C[N@@H+]2C[C@H]3c4ccccc4[C@@H](NC(=O)c4ccncc4)[C@H]3C2)n(C)n1 ZINC000585109537 570937732 /nfs/dbraw/zinc/93/77/32/570937732.db2.gz AZJUFKNXLNAOOS-FDFHNCONSA-N 1 1 387.487 2.824 40 0 GFABMO CCCCc1cn(C[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3C(=O)NCc2ccccc2)nn1 ZINC000008298202 291120045 /nfs/dbraw/zinc/12/00/45/291120045.db2.gz HCNBGFDQDSTCAO-TYPHKJRUSA-N 1 1 381.524 2.648 40 0 biogenic,in-vitro GFABMO O=C(NCc1ccco1)[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2Cn1cc(-c2ccccc2)nn1 ZINC000008298639 291123363 /nfs/dbraw/zinc/12/33/63/291123363.db2.gz HQCBAROQBYFOOA-GGPKGHCWSA-N 1 1 391.475 2.565 40 0 biogenic,in-vitro GFABMO CC[N@H+]1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)NC ZINC000004217025 206261131 /nfs/dbraw/zinc/26/11/31/206261131.db2.gz VBWVFQIJCNAECD-SFHVURJKSA-N 1 1 386.565 2.936 40 0 GFABMO Cn1ncc2c1nc(C1CC1)cc2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036616329 207050026 /nfs/dbraw/zinc/05/00/26/207050026.db2.gz WTWUGECLYUGKLG-UHFFFAOYSA-N 1 1 375.476 2.804 40 0 GFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](CC4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019014784 207100189 /nfs/dbraw/zinc/10/01/89/207100189.db2.gz UGFWGVJGEUIZLI-SFHVURJKSA-N 1 1 398.551 2.824 40 0 GFABMO Cc1cccc(C[N@H+]2CCCN(C(=O)[C@H](C)Cn3cc(Cl)cn3)CC2)n1 ZINC000019236263 207110070 /nfs/dbraw/zinc/11/00/70/207110070.db2.gz CPQHGBQOMRTSBA-OAHLLOKOSA-N 1 1 375.904 2.611 40 0 GFABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)[C@H](C)Cn3cc(Cl)cn3)CC2)n1 ZINC000019236263 207110074 /nfs/dbraw/zinc/11/00/74/207110074.db2.gz CPQHGBQOMRTSBA-OAHLLOKOSA-N 1 1 375.904 2.611 40 0 GFABMO COc1ccc(OC)c([C@@H](O)CN2CCC[N@@H+](Cc3ncccc3C)CC2)c1 ZINC000019237799 207110516 /nfs/dbraw/zinc/11/05/16/207110516.db2.gz HOWGOWZXHILUSZ-NRFANRHFSA-N 1 1 385.508 2.649 40 0 GFABMO COc1ccc(OC)c([C@@H](O)C[N@@H+]2CCCN(Cc3ncccc3C)CC2)c1 ZINC000019237799 207110521 /nfs/dbraw/zinc/11/05/21/207110521.db2.gz HOWGOWZXHILUSZ-NRFANRHFSA-N 1 1 385.508 2.649 40 0 GFABMO COc1ccc(OC)c([C@@H](O)C[N@H+]2CCCN(Cc3ncccc3C)CC2)c1 ZINC000019237799 207110526 /nfs/dbraw/zinc/11/05/26/207110526.db2.gz HOWGOWZXHILUSZ-NRFANRHFSA-N 1 1 385.508 2.649 40 0 GFABMO Cc1cccnc1-n1cccc1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019237892 207110971 /nfs/dbraw/zinc/11/09/71/207110971.db2.gz AQTCCHDZSHNYGB-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO Cc1cccnc1-n1cccc1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019237892 207110975 /nfs/dbraw/zinc/11/09/75/207110975.db2.gz AQTCCHDZSHNYGB-UHFFFAOYSA-N 1 1 391.519 2.910 40 0 GFABMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523827 207128129 /nfs/dbraw/zinc/12/81/29/207128129.db2.gz INOLWCATLNCXDC-SFHVURJKSA-N 1 1 398.555 2.973 40 0 GFABMO CCc1nc(N2CCN(C(=O)c3n[nH]c4c3CCCCCC4)CC2)cc(C)[nH+]1 ZINC000019523139 207129035 /nfs/dbraw/zinc/12/90/35/207129035.db2.gz VUPVCRKDAMDIEX-UHFFFAOYSA-N 1 1 382.512 2.692 40 0 GFABMO CC[NH+]1CCN(C2CCN(C(=O)c3cccc(-n4nc(C)cc4C)c3)CC2)CC1 ZINC000019528139 207131283 /nfs/dbraw/zinc/13/12/83/207131283.db2.gz LZPRROIFQZAYIC-UHFFFAOYSA-N 1 1 395.551 2.731 40 0 GFABMO COc1ccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c(OC)c1 ZINC000019590447 207141293 /nfs/dbraw/zinc/14/12/93/207141293.db2.gz DIUCPFKEOCKEQZ-HNNXBMFYSA-N 1 1 396.491 2.502 40 0 GFABMO COc1cccc(CC(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590294 207142272 /nfs/dbraw/zinc/14/22/72/207142272.db2.gz IPQAPFWTLWADSL-HXUWFJFHSA-N 1 1 380.492 2.769 40 0 GFABMO Cc1cc(N2CCO[C@@H](c3cc(C(=O)N(C)C)c4ccccc4n3)C2)nc(C)[nH+]1 ZINC000019759396 207160022 /nfs/dbraw/zinc/16/00/22/207160022.db2.gz MEEVJMUMOCTRML-HXUWFJFHSA-N 1 1 391.475 2.921 40 0 GFABMO COc1cc(C)c(C[N@@H+]2CCC[C@@H]2c2nnc3n2CCN(C(C)=O)C3)c(C)c1C ZINC000072373888 208010614 /nfs/dbraw/zinc/01/06/14/208010614.db2.gz AUHRNZACDJDWSP-LJQANCHMSA-N 1 1 397.523 2.911 40 0 GFABMO COc1cc(C)c(C[N@H+]2CCC[C@@H]2c2nnc3n2CCN(C(C)=O)C3)c(C)c1C ZINC000072373888 208010619 /nfs/dbraw/zinc/01/06/19/208010619.db2.gz AUHRNZACDJDWSP-LJQANCHMSA-N 1 1 397.523 2.911 40 0 GFABMO Cc1nc(CN2C(=O)COC3(CC[NH+](Cc4nccs4)CC3)[C@H]2C)cs1 ZINC000096062282 208257598 /nfs/dbraw/zinc/25/75/98/208257598.db2.gz JWKQQTVUBWYVQK-CYBMUJFWSA-N 1 1 392.550 2.690 40 0 GFABMO CN(C)C(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccsc1)CCC2 ZINC000096056123 208258621 /nfs/dbraw/zinc/25/86/21/208258621.db2.gz ARPKXXDPTQRGPP-RXVVDRJESA-N 1 1 384.549 2.950 40 0 GFABMO CN(C)c1nc2c(cc1C(=O)N1CCCC1)CC[N@@H+](Cc1ccccc1)CC2 ZINC000096260383 208295707 /nfs/dbraw/zinc/29/57/07/208295707.db2.gz HQTQTAGXBFVORX-UHFFFAOYSA-N 1 1 378.520 2.984 40 0 GFABMO CNC(=O)c1cc2c(nc1NCC(C)C)CC[N@@H+](Cc1c(C)noc1C)CC2 ZINC000096260487 208296803 /nfs/dbraw/zinc/29/68/03/208296803.db2.gz QYRDIPKTWBWBTJ-UHFFFAOYSA-N 1 1 385.512 2.715 40 0 GFABMO C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCCCC3)cc2)C1 ZINC000000902208 208485685 /nfs/dbraw/zinc/48/56/85/208485685.db2.gz XZNIOEZQUAWVKZ-MRXNPFEDSA-N 1 1 379.526 2.532 40 0 GFABMO CC[NH+]1CCN([C@H](c2nnnn2Cc2ccc(F)cc2)c2ccccc2F)CC1 ZINC000019528086 208805712 /nfs/dbraw/zinc/80/57/12/208805712.db2.gz DLWJBRQOMKXVFU-FQEVSTJZSA-N 1 1 398.461 2.727 40 0 GFABMO COC(=O)c1cc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)ccc1C ZINC000223858266 208912567 /nfs/dbraw/zinc/91/25/67/208912567.db2.gz LLKFFKQLYOMGOE-UHFFFAOYSA-N 1 1 399.472 2.754 40 0 GFABMO COc1ncccc1C[N@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306123236 209095829 /nfs/dbraw/zinc/09/58/29/209095829.db2.gz AIEYGXZHNLKIGI-LEWJYISDSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ncccc1C[N@@H+]1C[C@@H]2[C@H](C1)n1cccc1C(=O)N2Cc1ccccc1 ZINC000306123236 209095831 /nfs/dbraw/zinc/09/58/31/209095831.db2.gz AIEYGXZHNLKIGI-LEWJYISDSA-N 1 1 388.471 2.973 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(N[C@H](CO)C(C)C)nc(C)[nH+]1)CC2 ZINC000329004272 533172434 /nfs/dbraw/zinc/17/24/34/533172434.db2.gz KQQQVRAEDGWVOZ-QGZVFWFLSA-N 1 1 386.496 2.794 40 0 GFABMO CC(=O)NCC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3[N@@H+](C)[C@H]2Cc1ccccc1 ZINC000257208208 209056147 /nfs/dbraw/zinc/05/61/47/209056147.db2.gz BLDQNEHAYRORIH-KHYDEXNFSA-N 1 1 383.536 2.598 40 0 GFABMO COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CC[N@@H+](Cc3ccnn3C)C2)cc1 ZINC000257327647 209076545 /nfs/dbraw/zinc/07/65/45/209076545.db2.gz XCESXKJUMPDSNW-KRWDZBQOSA-N 1 1 392.507 2.941 40 0 GFABMO CCOc1ccccc1C(=O)NCCn1nc([C@H]2CC[N@@H+](C)C2)c2cccnc21 ZINC000072391587 222249739 /nfs/dbraw/zinc/24/97/39/222249739.db2.gz OGFNJZPDBYAECI-INIZCTEOSA-N 1 1 393.491 2.679 40 0 GFABMO CC(C)c1ccc(OCC(=O)NCCC[NH+]2CCOCC2)c(Br)c1 ZINC000218873101 553054425 /nfs/dbraw/zinc/05/44/25/553054425.db2.gz RRZJFIUGGFZGAK-UHFFFAOYSA-N 1 1 399.329 2.790 40 0 GFABMO COc1ccc2c3c1O[C@]1(C)[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)=O)C2 ZINC000253504323 560038405 /nfs/dbraw/zinc/03/84/05/560038405.db2.gz FNIFBBNFYMIPEZ-REAOZQTLSA-N 1 1 395.499 2.895 40 0 biogenic,in-vitro GFABMO CC(=O)N1CCCC[C@H]2[C@@H]1CC[N@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585282853 570250971 /nfs/dbraw/zinc/25/09/71/570250971.db2.gz INKUWGRQDOLUMC-VXKWHMMOSA-N 1 1 385.552 2.802 40 0 GFABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2c2ccc(Br)cc2)cc1OC ZINC000072227275 570318844 /nfs/dbraw/zinc/31/88/44/570318844.db2.gz CHECZOLRODREAC-HOTGVXAUSA-N 1 1 377.238 2.882 40 0 GFABMO COc1ccc(CN2C(=O)[C@@H]([NH3+])[C@@H]2c2ccc(Br)s2)cc1OC ZINC000072227061 570319131 /nfs/dbraw/zinc/31/91/31/570319131.db2.gz LZJVMQOMDCTPKE-GJZGRUSLSA-N 1 1 397.294 2.939 40 0 GFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@H]2c2ccc(Br)cc2)cc1OC ZINC000072227058 570319256 /nfs/dbraw/zinc/31/92/56/570319256.db2.gz GKKFWSBKQFYQAP-IAGOWNOFSA-N 1 1 391.265 2.877 40 0 GFABMO COc1ccc(CN2C(=O)[C@H]([NH3+])[C@@H]2c2ccc(Br)cc2)cc1OC ZINC000072227059 570319342 /nfs/dbraw/zinc/31/93/42/570319342.db2.gz GKKFWSBKQFYQAP-SJORKVTESA-N 1 1 391.265 2.877 40 0 GFABMO FC1(F)CCC(N2CC3(C2)C[N@@H+](Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381545 570352310 /nfs/dbraw/zinc/35/23/10/570352310.db2.gz HMAKCNQFMYAIEC-HXUWFJFHSA-N 1 1 391.506 2.835 40 0 biogenic,in-vitro GFABMO FC1(F)CCC([NH+]2CC3(C2)CN(Cc2ccccc2)C[C@@H]2COCCN23)CC1 ZINC000604381545 570352311 /nfs/dbraw/zinc/35/23/11/570352311.db2.gz HMAKCNQFMYAIEC-HXUWFJFHSA-N 1 1 391.506 2.835 40 0 biogenic,in-vitro GFABMO CC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 ZINC000036719619 570568156 /nfs/dbraw/zinc/56/81/56/570568156.db2.gz JGHDYMRVBUMKKQ-GUIRCDHDSA-N 1 1 387.450 2.895 40 0 GFABMO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C)N3)C1 ZINC000036719619 570568157 /nfs/dbraw/zinc/56/81/57/570568157.db2.gz JGHDYMRVBUMKKQ-GUIRCDHDSA-N 1 1 387.450 2.895 40 0 GFABMO CC(C)[C@@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188585 570621725 /nfs/dbraw/zinc/62/17/25/570621725.db2.gz LWWGBHMHMNVKCK-HSZRJFAPSA-N 1 1 397.519 2.939 40 0 GFABMO CC[C@H]1c2cccn2CC[N@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188612 570621805 /nfs/dbraw/zinc/62/18/05/570621805.db2.gz ZXLXAZGQEUYWNL-FQEVSTJZSA-N 1 1 383.492 2.693 40 0 GFABMO CC[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188612 570621810 /nfs/dbraw/zinc/62/18/10/570621810.db2.gz ZXLXAZGQEUYWNL-FQEVSTJZSA-N 1 1 383.492 2.693 40 0 GFABMO COc1ccccc1/C=C\C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365920 570646618 /nfs/dbraw/zinc/64/66/18/570646618.db2.gz QLPVJGLMQLAYKJ-WLPBJKJWSA-N 1 1 396.491 2.530 40 0 GFABMO Nc1cc(-c2cn[nH]c2[C@H]2CCN(C(=O)CCOc3cccc(F)c3)C2)ccn1 ZINC000257243650 570768897 /nfs/dbraw/zinc/76/88/97/570768897.db2.gz IHYBEMFFKQODMO-HNNXBMFYSA-N 1 1 395.438 2.978 40 0 GFABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@]32Nc3ccccc3C(=O)N2)cc1OC ZINC000072327426 570879038 /nfs/dbraw/zinc/87/90/38/570879038.db2.gz FTXUEPAUIDEXKH-GNSUPJDDSA-N 1 1 379.460 2.992 40 0 GFABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@]32Nc3ccccc3C(=O)N2)cc1OC ZINC000072327426 570879042 /nfs/dbraw/zinc/87/90/42/570879042.db2.gz FTXUEPAUIDEXKH-GNSUPJDDSA-N 1 1 379.460 2.992 40 0 GFABMO C[N@@H+](Cc1cccnc1)[C@H]1COC2(C1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585100013 570923608 /nfs/dbraw/zinc/92/36/08/570923608.db2.gz ZUZXIRJBGHYJBL-GOSISDBHSA-N 1 1 384.455 2.511 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CC2)NC(=O)[C@@H]2C[N@H+](CCC(C)C)C[C@@H]23)s1 ZINC000585106179 570935898 /nfs/dbraw/zinc/93/58/98/570935898.db2.gz VTZXMUULWLKRMC-SJORKVTESA-N 1 1 389.565 2.755 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2ccc(C)s2)CC1 ZINC000585106304 570936486 /nfs/dbraw/zinc/93/64/86/570936486.db2.gz QLGHHHKVLJHPLU-OIISXLGYSA-N 1 1 389.565 2.898 40 0 GFABMO COCc1ccccc1-c1cnc2n1CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC000585111121 570945081 /nfs/dbraw/zinc/94/50/81/570945081.db2.gz FHEFLKFZQNTLGJ-IBGZPJMESA-N 1 1 382.508 2.566 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)NC4CC4)on3)C2)c1OC ZINC000019567820 210265251 /nfs/dbraw/zinc/26/52/51/210265251.db2.gz DOKRXHTWHRXIQR-CQSZACIVSA-N 1 1 385.464 2.964 40 0 GFABMO CCc1nc(N2CCN(C(=O)CCc3ccc4c(c3)C[C@H](C)O4)CC2)cc(C)[nH+]1 ZINC000019523130 210255817 /nfs/dbraw/zinc/25/58/17/210255817.db2.gz REAZSZPISACILE-KRWDZBQOSA-N 1 1 394.519 2.952 40 0 GFABMO CCOc1ccccc1C[N@@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1 ZINC000019520194 210255284 /nfs/dbraw/zinc/25/52/84/210255284.db2.gz MJHDEYIQPSSNJW-IYBDPMFKSA-N 1 1 398.507 2.753 40 0 GFABMO CCOc1ccccc1C[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1 ZINC000019520194 210255287 /nfs/dbraw/zinc/25/52/87/210255287.db2.gz MJHDEYIQPSSNJW-IYBDPMFKSA-N 1 1 398.507 2.753 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@H](c3nnc(-c4cnc(C)cn4)o3)C2)cc1OC ZINC000019239174 210236112 /nfs/dbraw/zinc/23/61/12/210236112.db2.gz TXOSSLDRUXFTOW-OAHLLOKOSA-N 1 1 381.436 2.842 40 0 GFABMO COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@@H]3CCC[N@@H+]3C)ncc2C1 ZINC000019134324 210227209 /nfs/dbraw/zinc/22/72/09/210227209.db2.gz PGMCPVQYJBXLBP-SFHVURJKSA-N 1 1 396.491 2.524 40 0 GFABMO COc1cc(C)ccc1OCC(=O)N1CCc2nc([C@@H]3CCC[N@H+]3C)ncc2C1 ZINC000019134324 210227214 /nfs/dbraw/zinc/22/72/14/210227214.db2.gz PGMCPVQYJBXLBP-SFHVURJKSA-N 1 1 396.491 2.524 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078807 210223588 /nfs/dbraw/zinc/22/35/88/210223588.db2.gz FSUXKVBEFDDMMY-QAPCUYQASA-N 1 1 396.491 2.604 40 0 GFABMO COCCOc1nc(-c2ccccc2)nc2c1CC[N@H+](Cc1nccn1C)CC2 ZINC000306145007 212057556 /nfs/dbraw/zinc/05/75/56/212057556.db2.gz ZUPKHHDNNLTMGE-UHFFFAOYSA-N 1 1 393.491 2.503 40 0 GFABMO COCCOc1nc(-c2ccccc2)nc2c1CC[N@@H+](Cc1nccn1C)CC2 ZINC000306145007 212057560 /nfs/dbraw/zinc/05/75/60/212057560.db2.gz ZUPKHHDNNLTMGE-UHFFFAOYSA-N 1 1 393.491 2.503 40 0 GFABMO CCOc1ccccc1C[N@H+]1CCOC[C@]2(CC[C@H](CNc3ncccn3)O2)C1 ZINC000306139675 212052662 /nfs/dbraw/zinc/05/26/62/212052662.db2.gz TXKHWKMGZMRZAI-KNQAVFIVSA-N 1 1 398.507 2.737 40 0 GFABMO Cc1ccsc1C[N@@H+]1C[C@@H]2c3nnc(C(=O)NCc4ccco4)n3CC[C@@H]2C1 ZINC000306128373 212046872 /nfs/dbraw/zinc/04/68/72/212046872.db2.gz GYQOAJMPIUDIPW-ZBFHGGJFSA-N 1 1 397.504 2.790 40 0 GFABMO CCN1C(=O)CC[C@@H](C(=O)N2CCC[N@@H+](C)CC2)[C@@H]1c1ccccc1Cl ZINC000257330183 212026187 /nfs/dbraw/zinc/02/61/87/212026187.db2.gz XNFXWKOKGDZWKM-APWZRJJASA-N 1 1 377.916 2.804 40 0 GFABMO CN(C)c1ccc(CCNC(=O)c2ccccc2-n2cnc(C[NH+](C)C)c2)cc1 ZINC000257220680 212005771 /nfs/dbraw/zinc/00/57/71/212005771.db2.gz DLRXFKXEKLTEEL-UHFFFAOYSA-N 1 1 391.519 2.972 40 0 GFABMO COc1cccc(C[N@@H+]2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)c1 ZINC000100182358 211384951 /nfs/dbraw/zinc/38/49/51/211384951.db2.gz JLZFMPZKGXWHKN-UHFFFAOYSA-N 1 1 391.431 2.965 40 0 GFABMO COc1cccc(C[N@H+]2CCc3c([nH]c4cc(-c5cc(C)on5)nn4c3=O)C2)c1 ZINC000100182358 211384954 /nfs/dbraw/zinc/38/49/54/211384954.db2.gz JLZFMPZKGXWHKN-UHFFFAOYSA-N 1 1 391.431 2.965 40 0 GFABMO CCN1C[C@@]2(CC1=O)CN(C(=O)C(C)C)CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000097952788 211374816 /nfs/dbraw/zinc/37/48/16/211374816.db2.gz RXXMMQACVFTBDX-FQEVSTJZSA-N 1 1 377.554 2.595 40 0 GFABMO Cc1nc(C[N@@H+]2CC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCC3(F)F)cs1 ZINC000096239793 211323599 /nfs/dbraw/zinc/32/35/99/211323599.db2.gz CFJIGXPXVUNIGW-INIZCTEOSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1nc(C[N@H+]2CC[C@]3(C2)CN(C(=O)c2cc[nH]n2)CCC3(F)F)cs1 ZINC000096239793 211323602 /nfs/dbraw/zinc/32/36/02/211323602.db2.gz CFJIGXPXVUNIGW-INIZCTEOSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1ccc(C[N@@H+]2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)s1 ZINC000096049817 211295987 /nfs/dbraw/zinc/29/59/87/211295987.db2.gz OUOQSTNJVGBPLZ-LJQANCHMSA-N 1 1 393.578 2.925 40 0 GFABMO Cc1ccc(C[N@H+]2CCO[C@]3(C2)COCCN(Cc2csc(C)n2)C3)s1 ZINC000096049817 211295993 /nfs/dbraw/zinc/29/59/93/211295993.db2.gz OUOQSTNJVGBPLZ-LJQANCHMSA-N 1 1 393.578 2.925 40 0 GFABMO CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143915 211307680 /nfs/dbraw/zinc/30/76/80/211307680.db2.gz MKDJMGBNBBDDLW-JTHBVZDNSA-N 1 1 377.488 2.950 40 0 GFABMO O=C(N[C@@H]1CCCOC1)[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)c1ccccc1 ZINC000072373040 211102483 /nfs/dbraw/zinc/10/24/83/211102483.db2.gz KTSMHVQMKCNDOR-FSSWDIPSSA-N 1 1 392.499 2.913 40 0 GFABMO COc1ccc(-c2cccc([C@H]3CCC[N@@H+](CC(=O)N4CCOCC4)C3)n2)cc1 ZINC000072348723 211095771 /nfs/dbraw/zinc/09/57/71/211095771.db2.gz SKJUAHQDMMFGKC-IBGZPJMESA-N 1 1 395.503 2.795 40 0 GFABMO Cc1cccc2[nH]c(C(=O)N3CCc4nnc([C@H]5CCC[N@H+](C)C5)n4CC3)cc21 ZINC000019709272 210284501 /nfs/dbraw/zinc/28/45/01/210284501.db2.gz FHJSVKGWLBPPOO-INIZCTEOSA-N 1 1 392.507 2.576 40 0 GFABMO COc1ncc(C[N@@H+]2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019572121 210268426 /nfs/dbraw/zinc/26/84/26/210268426.db2.gz NVEPPHORIAFPBH-CQSZACIVSA-N 1 1 383.477 2.677 40 0 GFABMO COc1ncc(C[N@H+]2CCC[C@@H](c3nc(-c4cccs4)cc(=O)[nH]3)C2)cn1 ZINC000019572121 210268429 /nfs/dbraw/zinc/26/84/29/210268429.db2.gz NVEPPHORIAFPBH-CQSZACIVSA-N 1 1 383.477 2.677 40 0 GFABMO COc1ccc(OC)c(C(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590300 210272751 /nfs/dbraw/zinc/27/27/51/210272751.db2.gz MRFOENXOCOYZLU-LJQANCHMSA-N 1 1 396.491 2.849 40 0 GFABMO Cc1ccccc1C[N@H+]1CC[C@@]2(C1)COCc1c(C)nc(N3CCOCC3)nc12 ZINC000096244578 136185707 /nfs/dbraw/zinc/18/57/07/136185707.db2.gz UKRVARDUBIEVTF-HSZRJFAPSA-N 1 1 394.519 2.604 40 0 GFABMO CS(=O)(=O)N1CCCc2cc([C@H](O)C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012291502 136200182 /nfs/dbraw/zinc/20/01/82/136200182.db2.gz YYGZVQVCVZIGGZ-LDQXTDLNSA-N 1 1 392.565 2.944 40 0 GFABMO COC[C@]1([NH3+])[C@@H](c2ccc(OC)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218124937 553053224 /nfs/dbraw/zinc/05/32/24/553053224.db2.gz PKVFIFUSPJJAJM-BZSNNMDCSA-N 1 1 381.881 2.632 40 0 GFABMO NCC1(C[NH3+])[C@@H](c2ccc(Cl)cc2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218473882 553053769 /nfs/dbraw/zinc/05/37/69/553053769.db2.gz KVUJHVCOAZYBNB-HOTGVXAUSA-N 1 1 385.316 2.837 40 0 GFABMO C[NH+](C)CCNCc1cc2c(C(C)(C)C)nn(-c3ccc(F)cc3)c2[nH]c1=O ZINC000022916076 570335319 /nfs/dbraw/zinc/33/53/19/570335319.db2.gz MDVOZZHOOVNLMX-UHFFFAOYSA-N 1 1 385.487 2.802 40 0 GFABMO CCS(=O)(=O)Nc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000030756513 570495276 /nfs/dbraw/zinc/49/52/76/570495276.db2.gz BFLPYNOGMGLTPA-UHFFFAOYSA-N 1 1 398.488 2.872 40 0 GFABMO CC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)CC1 ZINC000000902302 570514694 /nfs/dbraw/zinc/51/46/94/570514694.db2.gz SUHCIUMOUHMLGI-UHFFFAOYSA-N 1 1 393.553 2.922 40 0 GFABMO CCC(=O)N1CCCc2cc([C@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000012291577 570633283 /nfs/dbraw/zinc/63/32/83/570633283.db2.gz DVHFCNUBIDWAPD-OAQYLSRUSA-N 1 1 394.519 2.626 40 0 GFABMO COC[C@@H]1C[N@@H+](Cc2ccco2)CC12CCN(C(=O)c1cscn1)CC2 ZINC000247901085 570717321 /nfs/dbraw/zinc/71/73/21/570717321.db2.gz VYFNLSOTTJZBNN-HNNXBMFYSA-N 1 1 375.494 2.737 40 0 GFABMO Cc1cc(C[N@H+]2CCC[C@@]3(CCCN3C(=O)c3snnc3C)CC2)n(C)n1 ZINC000585100609 570924753 /nfs/dbraw/zinc/92/47/53/570924753.db2.gz PMAIICMHUKGROH-LJQANCHMSA-N 1 1 388.541 2.549 40 0 GFABMO O=C(C[N@@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2)N1CCCC1 ZINC000585102356 570930646 /nfs/dbraw/zinc/93/06/46/570930646.db2.gz YBAARWKVSMFATI-QHCPKHFHSA-N 1 1 392.503 2.538 40 0 GFABMO O=C(C[N@H+]1CC[C@]12CCCN(C(=O)c1nccc3ccccc31)C2)N1CCCC1 ZINC000585102356 570930648 /nfs/dbraw/zinc/93/06/48/570930648.db2.gz YBAARWKVSMFATI-QHCPKHFHSA-N 1 1 392.503 2.538 40 0 GFABMO CC[C@@H](c1nnnn1Cc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020140880 570941936 /nfs/dbraw/zinc/94/19/36/570941936.db2.gz GJZNKHMRMNWGSN-NRFANRHFSA-N 1 1 376.508 2.990 40 0 GFABMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](c2cc(C(=O)NC3CC3)on2)C1 ZINC000019554952 210262067 /nfs/dbraw/zinc/26/20/67/210262067.db2.gz CAYRAHFVVXNJLR-OAHLLOKOSA-N 1 1 379.464 2.903 40 0 GFABMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](c2cc(C(=O)NC3CC3)on2)C1 ZINC000019554955 210261945 /nfs/dbraw/zinc/26/19/45/210261945.db2.gz CAYRAHFVVXNJLR-HNNXBMFYSA-N 1 1 379.464 2.903 40 0 GFABMO Cc1c(C[N@@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(C)CC4)on3)C2)cnn1C ZINC000019553647 210261472 /nfs/dbraw/zinc/26/14/72/210261472.db2.gz UOSKGSDQLDNTMQ-QGZVFWFLSA-N 1 1 385.512 2.968 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CC[C@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 ZINC000019551441 210261516 /nfs/dbraw/zinc/26/15/16/210261516.db2.gz VSDPLSOZOUQJDT-HNNXBMFYSA-N 1 1 392.459 2.839 40 0 GFABMO O=C(NCc1ccncc1)c1cc([C@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000019401692 210247508 /nfs/dbraw/zinc/24/75/08/210247508.db2.gz PUZKCQXGPOGINM-KRWDZBQOSA-N 1 1 377.448 2.774 40 0 GFABMO COc1c(C)cccc1C(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019235832 210232423 /nfs/dbraw/zinc/23/24/23/210232423.db2.gz CLWOUHQWJJYUBK-INIZCTEOSA-N 1 1 380.492 2.801 40 0 GFABMO COc1cc(C[N@H+]2CCC[C@@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O ZINC000019129181 210226945 /nfs/dbraw/zinc/22/69/45/210226945.db2.gz IBHKOUIWDFMFLH-OAHLLOKOSA-N 1 1 397.479 2.722 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019078784 210223998 /nfs/dbraw/zinc/22/39/98/210223998.db2.gz BJYDGOBOSGTUJJ-MGPUTAFESA-N 1 1 396.491 2.604 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccccc3F)C2)c2cccnc21 ZINC000019021846 210223866 /nfs/dbraw/zinc/22/38/66/210223866.db2.gz JDWCTAAWCUOVRE-KRWDZBQOSA-N 1 1 381.455 2.696 40 0 GFABMO CCn1ccc(-c2cc(C(=O)NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c3c(C)noc3n2)n1 ZINC000036618011 210157240 /nfs/dbraw/zinc/15/72/40/210157240.db2.gz IIVHNQWIFZDTIP-GOOCMWNKSA-N 1 1 394.479 2.770 40 0 GFABMO Cc1ncsc1C[N@H+]1CCC[C@@H](c2nc3ccc(N4CCOCC4)cn3n2)C1 ZINC000306140702 212053725 /nfs/dbraw/zinc/05/37/25/212053725.db2.gz VBGXMNKLVHDGRR-MRXNPFEDSA-N 1 1 398.536 2.710 40 0 GFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@@H+]2C ZINC000306137444 212053534 /nfs/dbraw/zinc/05/35/34/212053534.db2.gz QWIIYFXLRIQFFP-KRWDZBQOSA-N 1 1 398.507 2.946 40 0 GFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@@H](COc1ccccn1)CC[N@H+]2C ZINC000306137444 212053537 /nfs/dbraw/zinc/05/35/37/212053537.db2.gz QWIIYFXLRIQFFP-KRWDZBQOSA-N 1 1 398.507 2.946 40 0 GFABMO COc1cccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)c1 ZINC000306139384 212053641 /nfs/dbraw/zinc/05/36/41/212053641.db2.gz SVWCZTZYFSVKMK-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO O=S1(=O)c2ccccc2O[C@]2(CC[N@H+](C3CCC3)C2)CN1Cc1ccccn1 ZINC000306140946 212053160 /nfs/dbraw/zinc/05/31/60/212053160.db2.gz VHJWECJXEQEKLI-NRFANRHFSA-N 1 1 399.516 2.662 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306134101 212050813 /nfs/dbraw/zinc/05/08/13/212050813.db2.gz NDOACNRXYQNQMM-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)cc1 ZINC000306134101 212050825 /nfs/dbraw/zinc/05/08/25/212050825.db2.gz NDOACNRXYQNQMM-FCHUYYIVSA-N 1 1 388.471 2.973 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306133258 212048359 /nfs/dbraw/zinc/04/83/59/212048359.db2.gz MGUDTYBXZFRPQL-LSDHHAIUSA-N 1 1 379.489 2.896 40 0 GFABMO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@@H+]3Cc3cnccn3)ccc2c1N ZINC000257344918 212028500 /nfs/dbraw/zinc/02/85/00/212028500.db2.gz ZZFLRWOBJRIUJM-OAHLLOKOSA-N 1 1 382.493 2.707 40 0 GFABMO CN(C)C(=O)c1sc2nc([C@H]3CCC[N@H+]3Cc3cnccn3)ccc2c1N ZINC000257344918 212028503 /nfs/dbraw/zinc/02/85/03/212028503.db2.gz ZZFLRWOBJRIUJM-OAHLLOKOSA-N 1 1 382.493 2.707 40 0 GFABMO CCCc1nc2ccccc2n1CC(=O)N(C)[C@@H]1CC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257338760 212028067 /nfs/dbraw/zinc/02/80/67/212028067.db2.gz YYWBZFDIHVZMIA-WOIUINJBSA-N 1 1 395.507 2.717 40 0 GFABMO CC(=O)Nc1ccc(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3C)cn1 ZINC000257280906 212017058 /nfs/dbraw/zinc/01/70/58/212017058.db2.gz OMWOHTSLMFUMAU-VAMGGRTRSA-N 1 1 378.476 2.600 40 0 GFABMO CCCn1nccc1C(=O)N(C)C[C@H]1C[C@]2(C)[C@@H](CCCC[C@]2(C)O)[N@H+]1C ZINC000257261954 212013137 /nfs/dbraw/zinc/01/31/37/212013137.db2.gz LJKODCMSIFSWBB-DWIQEWEKSA-N 1 1 376.545 2.769 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](NC(=O)CCc2nc3c(cc(C)cc3C)[nH]2)[C@H]1O ZINC000257218017 212005708 /nfs/dbraw/zinc/00/57/08/212005708.db2.gz DBNSIINUWBSYAS-RADWXHQJSA-N 1 1 395.507 2.888 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](N(C)C(=O)CCCc2nc3ccccc3n2C)[C@H]1O ZINC000257204377 212003752 /nfs/dbraw/zinc/00/37/52/212003752.db2.gz AUGWFNOKPXTJRN-WOIUINJBSA-N 1 1 395.507 2.624 40 0 GFABMO COc1cccc(C[N@H+]2CCc3nc4cc(C5CC5)[n-]n4c(=O)c3C2)c1OC ZINC000100752970 211390301 /nfs/dbraw/zinc/39/03/01/211390301.db2.gz FNQWZZZAVRKEEK-UHFFFAOYSA-N 1 1 380.448 2.888 40 0 GFABMO COc1cccc(C(=O)N2CCC3(CC2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC000096239891 211322701 /nfs/dbraw/zinc/32/27/01/211322701.db2.gz XHQVCDFUXYWQEW-UHFFFAOYSA-N 1 1 395.503 2.845 40 0 GFABMO COCC[N@@H+](C)C[C@H]1CO[C@@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000096075669 211298913 /nfs/dbraw/zinc/29/89/13/211298913.db2.gz ICOWWPUUQLPLAF-FDDCHVKYSA-N 1 1 397.519 2.824 40 0 GFABMO COc1ccc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1OC ZINC000072339841 211093496 /nfs/dbraw/zinc/09/34/96/211093496.db2.gz TZFZGIILSKVITD-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO COc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1OC ZINC000072339841 211093499 /nfs/dbraw/zinc/09/34/99/211093499.db2.gz TZFZGIILSKVITD-UHFFFAOYSA-N 1 1 378.432 2.820 40 0 GFABMO Cc1nn(C)c2nc(C3CCN(C(=O)[C@H](C)Cn4cc[nH+]c4C)CC3)ccc12 ZINC000019744596 210291886 /nfs/dbraw/zinc/29/18/86/210291886.db2.gz LEYWEUXXGUFLAV-CQSZACIVSA-N 1 1 380.496 2.824 40 0 GFABMO COc1cccc(OC)c1C(=O)N1CCCC[C@H]1c1cc(C[NH+](C)C)n(C)n1 ZINC000019709161 210283812 /nfs/dbraw/zinc/28/38/12/210283812.db2.gz WYMDZTQBSKLYKY-KRWDZBQOSA-N 1 1 386.496 2.866 40 0 GFABMO Cn1c2ccc(NC(=O)C[NH+]3CCC(Cc4ccccc4)CC3)cc2n(C)c1=O ZINC000019658285 210277419 /nfs/dbraw/zinc/27/74/19/210277419.db2.gz OWMDENZBGFIDPP-UHFFFAOYSA-N 1 1 392.503 2.770 40 0 GFABMO Cc1cc(NC(=O)CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)nn1C ZINC000019658767 210276420 /nfs/dbraw/zinc/27/64/20/210276420.db2.gz OTHLZWHQQHROQQ-UHFFFAOYSA-N 1 1 398.898 2.691 40 0 GFABMO CN(C)c1cccc(C(=O)N2CCC[C@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590451 210273607 /nfs/dbraw/zinc/27/36/07/210273607.db2.gz IUFCKKJUPDKURF-KRWDZBQOSA-N 1 1 379.508 2.550 40 0 GFABMO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@H+](Cc1cccc3cccnc31)C2 ZINC000072347211 136168743 /nfs/dbraw/zinc/16/87/43/136168743.db2.gz MQNNWEGDTSJBJY-UHFFFAOYSA-N 1 1 375.476 2.867 40 0 GFABMO O=c1[nH]c(N2CCCCC2)nc2c1CC[N@@H+](Cc1cccc3cccnc31)C2 ZINC000072347211 136168744 /nfs/dbraw/zinc/16/87/44/136168744.db2.gz MQNNWEGDTSJBJY-UHFFFAOYSA-N 1 1 375.476 2.867 40 0 GFABMO C[NH+](C)Cc1cc(C[C@@H]2C[C@H](NS(=O)(=O)c3ccccc3)C2(C)C)no1 ZINC000067890207 560050150 /nfs/dbraw/zinc/05/01/50/560050150.db2.gz MQVLGBWEFIKQFQ-KDOFPFPSSA-N 1 1 377.510 2.672 40 0 biogenic,in-vitro GFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@H](O)COc2ccc(OC)cc2)cc1 ZINC000585269846 570238803 /nfs/dbraw/zinc/23/88/03/570238803.db2.gz MCOBDRHABVJJHY-IBGZPJMESA-N 1 1 389.492 2.982 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2C[C@H](c3ccc(Cl)cc3)[C@@H](O)[C@H]2CO)c1 ZINC000585293416 570262636 /nfs/dbraw/zinc/26/26/36/570262636.db2.gz WJAODPFANDJUAN-QWFCFKBJSA-N 1 1 377.868 2.678 40 0 GFABMO OC[C@@H]1[C@@H](O)[C@@H](O)[C@H](Cc2ccccc2)[N@H+]1Cc1cccc(OC2CCCC2)c1 ZINC000585295352 570279754 /nfs/dbraw/zinc/27/97/54/570279754.db2.gz WHYTZQBNFDFCJG-UARRHKHWSA-N 1 1 397.515 2.518 40 0 GFABMO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3Cl)CC2)cc1 ZINC000031666904 570505453 /nfs/dbraw/zinc/50/54/53/570505453.db2.gz NBVXTFYXVRQVQB-INIZCTEOSA-N 1 1 376.884 2.911 40 0 GFABMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1 ZINC000000920692 570536599 /nfs/dbraw/zinc/53/65/99/570536599.db2.gz DNKIFNPZZCGATF-MRXNPFEDSA-N 1 1 393.553 2.968 40 0 GFABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1 ZINC000000920692 570536603 /nfs/dbraw/zinc/53/66/03/570536603.db2.gz DNKIFNPZZCGATF-MRXNPFEDSA-N 1 1 393.553 2.968 40 0 GFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc2c(c1)sc(=O)n2C ZINC000225680892 570602397 /nfs/dbraw/zinc/60/23/97/570602397.db2.gz DBIVXHIYUHDBLL-CQSZACIVSA-N 1 1 397.566 2.533 40 0 GFABMO CCOc1ncc(C2(O)[C@@H]3CCC[C@H]2C[N@H+](Cc2ccncc2)C3)c(OCC)n1 ZINC000012089101 570607225 /nfs/dbraw/zinc/60/72/25/570607225.db2.gz HPBIAFFXIYBRAX-VSOVRNOCSA-N 1 1 398.507 2.789 40 0 GFABMO Cc1nc(SCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)n[nH]1 ZINC000225904142 570632238 /nfs/dbraw/zinc/63/22/38/570632238.db2.gz GOPTVCYSRDYNMK-HNNXBMFYSA-N 1 1 393.944 2.887 40 0 GFABMO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000225904142 570632241 /nfs/dbraw/zinc/63/22/41/570632241.db2.gz GOPTVCYSRDYNMK-HNNXBMFYSA-N 1 1 393.944 2.887 40 0 GFABMO Cc1nnc(SCCNC(=O)[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)[nH]1 ZINC000225904142 570632244 /nfs/dbraw/zinc/63/22/44/570632244.db2.gz GOPTVCYSRDYNMK-HNNXBMFYSA-N 1 1 393.944 2.887 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(N3CCOCC3)cc2)cc1 ZINC000044899915 570639971 /nfs/dbraw/zinc/63/99/71/570639971.db2.gz GWHIWJFSCCNYDZ-UHFFFAOYSA-N 1 1 376.460 2.947 40 0 GFABMO COc1cccc(S(=O)(=O)N2CC[C@@H]3[C@H](C[N@H+]3CC3CCCCC3)C2)c1 ZINC000585107898 570939595 /nfs/dbraw/zinc/93/95/95/570939595.db2.gz CQQMRIZIHURUTE-YLJYHZDGSA-N 1 1 378.538 2.970 40 0 GFABMO COc1c2c(cc3c1[C@@H](Cc1cc(N)c4ccccc4[n+]1C)N(C)CC3)OCO2 ZINC000020112712 570941204 /nfs/dbraw/zinc/94/12/04/570941204.db2.gz XEPPVVCGCAFDLT-LJQANCHMSA-O 1 1 392.479 2.756 40 0 GFABMO CCOc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000020121665 570941497 /nfs/dbraw/zinc/94/14/97/570941497.db2.gz KTXOVRDNPZJSQQ-FQEVSTJZSA-N 1 1 384.528 2.914 40 0 GFABMO CCNC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccccc2)nc(C)n1 ZINC000015672528 571041270 /nfs/dbraw/zinc/04/12/70/571041270.db2.gz WZTFHBMZNXGYSO-OTWHNJEPSA-N 1 1 379.508 2.949 40 0 biogenic,in-vitro GFABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2 ZINC000019522499 210257033 /nfs/dbraw/zinc/25/70/33/210257033.db2.gz YOFFNQBCEUMRIS-AWEZNQCLSA-N 1 1 385.464 2.839 40 0 GFABMO COc1ncc(C[NH+]2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)cn1 ZINC000019446710 210249358 /nfs/dbraw/zinc/24/93/58/210249358.db2.gz IPCAKGOHVHMTOT-NRFANRHFSA-N 1 1 397.523 2.996 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)Cc3cccs3)[nH]c(=O)c2C1 ZINC000019448285 210249277 /nfs/dbraw/zinc/24/92/77/210249277.db2.gz ZQAUUWPCEWCFQF-KRWDZBQOSA-N 1 1 386.521 2.504 40 0 GFABMO O=C(CCN1Cc2ccccc2C1=O)N1CCC[N@@H+](Cc2cccc(F)c2)CC1 ZINC000019375565 210246295 /nfs/dbraw/zinc/24/62/95/210246295.db2.gz KRVFBSTXZQLZRM-UHFFFAOYSA-N 1 1 395.478 2.906 40 0 GFABMO O=C(CCN1Cc2ccccc2C1=O)N1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC000019375565 210246299 /nfs/dbraw/zinc/24/62/99/210246299.db2.gz KRVFBSTXZQLZRM-UHFFFAOYSA-N 1 1 395.478 2.906 40 0 GFABMO O=C(C1CC1)N1CCc2nc([C@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343446 210240872 /nfs/dbraw/zinc/24/08/72/210240872.db2.gz ALLSOSPSNQLFMS-HNNXBMFYSA-N 1 1 398.532 2.506 40 0 GFABMO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCC[N@H+]1C(C)C ZINC000019237763 210235382 /nfs/dbraw/zinc/23/53/82/210235382.db2.gz OKXNZUUNMLNIJS-OAQYLSRUSA-N 1 1 394.519 2.518 40 0 GFABMO Cc1cccnc1CN(Cc1ccccc1)C(=O)C[C@@H]1C(=O)NCC[N@@H+]1C(C)C ZINC000019237763 210235389 /nfs/dbraw/zinc/23/53/89/210235389.db2.gz OKXNZUUNMLNIJS-OAQYLSRUSA-N 1 1 394.519 2.518 40 0 GFABMO Cc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019210862 210230889 /nfs/dbraw/zinc/23/08/89/210230889.db2.gz PVFLDTCQRHDXHJ-ZWKOTPCHSA-N 1 1 394.519 2.946 40 0 GFABMO Cc1ccc(CC(=O)N2CCC[C@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019209589 210228767 /nfs/dbraw/zinc/22/87/67/210228767.db2.gz KRHZZUDSAKQNSB-FQEVSTJZSA-N 1 1 394.519 2.751 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3cccc(F)c3)C2)c2cccnc21 ZINC000019021822 210224163 /nfs/dbraw/zinc/22/41/63/210224163.db2.gz OTMLXRGAQUSSGA-KRWDZBQOSA-N 1 1 381.455 2.696 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@@H+]4C)ncc3C2)c1 ZINC000019079320 210224093 /nfs/dbraw/zinc/22/40/93/210224093.db2.gz QCHREHBMHBYQFG-QRWLVFNGSA-N 1 1 396.491 2.604 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)N2CCc3nc([C@@H]4CCC[N@H+]4C)ncc3C2)c1 ZINC000019079320 210224096 /nfs/dbraw/zinc/22/40/96/210224096.db2.gz QCHREHBMHBYQFG-QRWLVFNGSA-N 1 1 396.491 2.604 40 0 GFABMO O=C(C1CC1)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014794 210221264 /nfs/dbraw/zinc/22/12/64/210221264.db2.gz MIKYVXCBNWPGCD-LJQANCHMSA-N 1 1 384.524 2.782 40 0 GFABMO Cc1ncsc1C[NH+]1CCN(c2nccn3c(-c4cccnc4)cnc23)CC1 ZINC000306140386 212053750 /nfs/dbraw/zinc/05/37/50/212053750.db2.gz URSBVHBGMQJYOP-UHFFFAOYSA-N 1 1 391.504 2.878 40 0 GFABMO CC(C)c1ccc(C[N@H+]2C[C@@H]3CCn4c(C(=O)NC5CC5)nnc4[C@H]3C2)cc1 ZINC000306140555 212052281 /nfs/dbraw/zinc/05/22/81/212052281.db2.gz UXELOJHQQSGGEJ-HKUYNNGSSA-N 1 1 379.508 2.913 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306135325 212051892 /nfs/dbraw/zinc/05/18/92/212051892.db2.gz ONOXRBPMQKUDIE-FQEVSTJZSA-N 1 1 387.505 2.518 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3ccccn3)C2)Oc2ccccc2S1(=O)=O ZINC000306135325 212051894 /nfs/dbraw/zinc/05/18/94/212051894.db2.gz ONOXRBPMQKUDIE-FQEVSTJZSA-N 1 1 387.505 2.518 40 0 GFABMO O=C(NCc1cccnc1)c1ncc2n1C[C@@H]1C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306129121 212046804 /nfs/dbraw/zinc/04/68/04/212046804.db2.gz HVCBCEUSPKROKP-HKUYNNGSSA-N 1 1 391.450 2.576 40 0 GFABMO CC(=O)N1CCC[C@H]2N(C(=O)C[N@@H+](C)Cc3ccc(F)cc3)CCC[C@@]21C ZINC000257342469 212027846 /nfs/dbraw/zinc/02/78/46/212027846.db2.gz ZOTHMUNYSZUSLU-CTNGQTDRSA-N 1 1 375.488 2.650 40 0 GFABMO CC(=O)N1CCC[C@H]2N(C(=O)C[N@H+](C)Cc3ccc(F)cc3)CCC[C@@]21C ZINC000257342469 212027849 /nfs/dbraw/zinc/02/78/49/212027849.db2.gz ZOTHMUNYSZUSLU-CTNGQTDRSA-N 1 1 375.488 2.650 40 0 GFABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@@H+]2CC(=O)NCc2ccccn2)n1 ZINC000257321982 212024333 /nfs/dbraw/zinc/02/43/33/212024333.db2.gz WEDUJNOCEOSWOW-IBGZPJMESA-N 1 1 390.491 2.678 40 0 GFABMO CCc1nccn1-c1cccc([C@@H]2CCC[N@H+]2CC(=O)NCc2ccccn2)n1 ZINC000257321982 212024335 /nfs/dbraw/zinc/02/43/35/212024335.db2.gz WEDUJNOCEOSWOW-IBGZPJMESA-N 1 1 390.491 2.678 40 0 GFABMO C[N@H+]1CCCCC[C@@H]2N(C(=O)c3ccc(=O)[nH]n3)[C@H](Cc3ccccc3)C[C@@]21C ZINC000257308915 212021633 /nfs/dbraw/zinc/02/16/33/212021633.db2.gz TYSMTJSDGIBOSJ-RFWXGWTQSA-N 1 1 394.519 2.860 40 0 GFABMO Cc1c2cccc(F)c2oc1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257258329 212013317 /nfs/dbraw/zinc/01/33/17/212013317.db2.gz KTJAIXDFFXGMRG-KZNAEPCWSA-N 1 1 390.455 2.567 40 0 GFABMO NC(=O)CCC(=O)N1CCC[C@@H]2[C@H]1CCCC[N@H+]2Cc1ccc(Cl)cc1 ZINC000257261659 212012406 /nfs/dbraw/zinc/01/24/06/212012406.db2.gz LIHXCUZSWIIXMA-QZTJIDSGSA-N 1 1 377.916 2.951 40 0 GFABMO Cc1c2cc(F)ccc2oc1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257212555 212003611 /nfs/dbraw/zinc/00/36/11/212003611.db2.gz CDXZMLGAKGVYMD-ZHALLVOQSA-N 1 1 390.455 2.567 40 0 GFABMO C[NH+](C)CCN1CCC2(C[C@@H](NC(=O)c3cccnc3)c3ccccc32)CC1 ZINC000096241443 211322745 /nfs/dbraw/zinc/32/27/45/211322745.db2.gz QQGTWGPOQFJMKO-OAQYLSRUSA-N 1 1 378.520 2.852 40 0 GFABMO Cc1ccc(N2C[C@@]3(COCC[N@H+](Cc4cccs4)C3)OCC2=O)s1 ZINC000096051453 211297259 /nfs/dbraw/zinc/29/72/59/211297259.db2.gz OCIWWOKEVYFQTR-SFHVURJKSA-N 1 1 378.519 2.752 40 0 GFABMO Cc1ccc(N2C[C@@]3(COCC[N@@H+](Cc4cccs4)C3)OCC2=O)s1 ZINC000096051453 211297261 /nfs/dbraw/zinc/29/72/61/211297261.db2.gz OCIWWOKEVYFQTR-SFHVURJKSA-N 1 1 378.519 2.752 40 0 GFABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143916 211308798 /nfs/dbraw/zinc/30/87/98/211308798.db2.gz MKDJMGBNBBDDLW-FYYLOGMGSA-N 1 1 377.488 2.950 40 0 GFABMO Cc1oc2c(c1C(=O)N1CCC(c3nnc4n3CC[N@H+](C)C4)CC1)CCCC2 ZINC000072372073 211103345 /nfs/dbraw/zinc/10/33/45/211103345.db2.gz ABHUUWUNASJQNO-UHFFFAOYSA-N 1 1 383.496 2.524 40 0 GFABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](c2cc(=O)n3c(n2)CCCCC3)C1 ZINC000072373059 211103105 /nfs/dbraw/zinc/10/31/05/211103105.db2.gz HFNYJNOHYKECIP-MSOLQXFVSA-N 1 1 386.540 2.550 40 0 GFABMO COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(C[NH+](C)C)n(C)n2)cc1F ZINC000019709174 210283971 /nfs/dbraw/zinc/28/39/71/210283971.db2.gz XLKJQRDZAVCHHN-LJQANCHMSA-N 1 1 388.487 2.926 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)COCc2nc3ccccc3[nH]2)CC1 ZINC000019656386 210278420 /nfs/dbraw/zinc/27/84/20/210278420.db2.gz VHANHCFNEMXYBK-UHFFFAOYSA-N 1 1 381.480 2.913 40 0 GFABMO COc1ccccc1CCC(=O)N1CCC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019590397 210273029 /nfs/dbraw/zinc/27/30/29/210273029.db2.gz FNYWZBSMSKOZTQ-SFHVURJKSA-N 1 1 394.519 2.812 40 0 GFABMO COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)cc21 ZINC000019590542 210271639 /nfs/dbraw/zinc/27/16/39/210271639.db2.gz GADKYYBKGXNWNW-LJQANCHMSA-N 1 1 391.475 2.932 40 0 GFABMO CCOc1cc2c(cc1C[N@@H+](Cc1ccc3c(c1)OCO3)C[C@@H](C)O)OCO2 ZINC000012185700 221164066 /nfs/dbraw/zinc/16/40/66/221164066.db2.gz LXVACDOZXDUPMI-CQSZACIVSA-N 1 1 387.432 2.926 40 0 GFABMO CCOc1cc2c(cc1C[N@H+](Cc1ccc3c(c1)OCO3)C[C@@H](C)O)OCO2 ZINC000012185700 221164070 /nfs/dbraw/zinc/16/40/70/221164070.db2.gz LXVACDOZXDUPMI-CQSZACIVSA-N 1 1 387.432 2.926 40 0 GFABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096050142 136183396 /nfs/dbraw/zinc/18/33/96/136183396.db2.gz KTNTXKVXEHAHGF-NRFANRHFSA-N 1 1 383.517 2.896 40 0 GFABMO COC[C@]1([NH3+])[C@@H](c2ccc(Br)cc2)[C@H]1S(=O)(=O)c1ccccc1 ZINC000242750292 553087715 /nfs/dbraw/zinc/08/77/15/553087715.db2.gz ZKJMIFCSCOFZLW-BBWFWOEESA-N 1 1 396.306 2.733 40 0 GFABMO O=C(NC[C@@H]1CCCO1)c1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000034684072 570209827 /nfs/dbraw/zinc/20/98/27/570209827.db2.gz MDSGHLNYESINKW-QHCPKHFHSA-N 1 1 393.531 2.913 40 0 GFABMO OCCOc1ccc(C[N@H+]2C[C@H](O)[C@@H](Oc3cccc4ccccc43)C2)cc1 ZINC000585267866 570233528 /nfs/dbraw/zinc/23/35/28/570233528.db2.gz KUAIHNAOMRXFLJ-GMAHTHKFSA-N 1 1 379.456 2.835 40 0 GFABMO Cc1ccc(N2CCC(O)(C[N@H+]3CCC[C@]4(C)NC(=O)CCC[C@H]34)CC2)cc1 ZINC000585283233 570251185 /nfs/dbraw/zinc/25/11/85/570251185.db2.gz MHNHBDQJCCCEPI-UNMCSNQZSA-N 1 1 385.552 2.850 40 0 GFABMO C[NH+]1CCN(C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000002377037 570299340 /nfs/dbraw/zinc/29/93/40/570299340.db2.gz FFXQZPNQCIUTQO-QFIPXVFZSA-N 1 1 395.528 2.848 40 0 GFABMO COc1ccc(OC)c(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000223709510 570480739 /nfs/dbraw/zinc/48/07/39/570480739.db2.gz FTJDLSUPJMCKMZ-UHFFFAOYSA-N 1 1 387.461 2.676 40 0 GFABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@H+](CC(=O)NCc3ccco3)C2)n1 ZINC000012117211 570611605 /nfs/dbraw/zinc/61/16/05/570611605.db2.gz OVWPCCOQSJLSKL-SFHVURJKSA-N 1 1 391.475 2.936 40 0 GFABMO Cc1ncc(-c2ccncc2)c([C@H]2CCC[N@@H+](CC(=O)NCc3ccco3)C2)n1 ZINC000012117211 570611612 /nfs/dbraw/zinc/61/16/12/570611612.db2.gz OVWPCCOQSJLSKL-SFHVURJKSA-N 1 1 391.475 2.936 40 0 GFABMO COCC[N@@H+](C)C[C@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000247973667 570718758 /nfs/dbraw/zinc/71/87/58/570718758.db2.gz ICOWWPUUQLPLAF-MBSDFSHPSA-N 1 1 397.519 2.824 40 0 GFABMO CCn1ccc(C(=O)N(C)C[C@H]2CC[C@H](c3cc(C[NH+](C)C)n(C)n3)CC2)n1 ZINC000257248688 570894300 /nfs/dbraw/zinc/89/43/00/570894300.db2.gz JETXJRVQIJXFNF-QAQDUYKDSA-N 1 1 386.544 2.744 40 0 GFABMO Cc1cc(C)n2ncc(C[N@H+]3C[C@@H]4CC[C@@](O)(c5ncccc5C)[C@@H]4C3)c2n1 ZINC000257367379 570914832 /nfs/dbraw/zinc/91/48/32/570914832.db2.gz DWDVNOSIESYJLT-KPLVRAHFSA-N 1 1 377.492 2.779 40 0 GFABMO Cc1nc(C)c(C[N@@H+]2CCC[C@@]3(CCC(=O)N3CC(=O)NC(C)C)CC2)s1 ZINC000585100869 570928534 /nfs/dbraw/zinc/92/85/34/570928534.db2.gz ZSRKEPCQBPPCEP-HXUWFJFHSA-N 1 1 392.569 2.632 40 0 GFABMO Cc1noc(C)c1CN1C[C@]2(CC1=O)COCC[N@@H+](Cc1ccccc1C)C2 ZINC000585103686 570929167 /nfs/dbraw/zinc/92/91/67/570929167.db2.gz FHORIPGYUACGBS-JOCHJYFZSA-N 1 1 383.492 2.851 40 0 GFABMO Cc1noc(C)c1CN1C[C@@]2(CC1=O)COCC[N@@H+](Cc1ccccc1C)C2 ZINC000585103690 570929269 /nfs/dbraw/zinc/92/92/69/570929269.db2.gz FHORIPGYUACGBS-QFIPXVFZSA-N 1 1 383.492 2.851 40 0 GFABMO CCOc1ccc([C@H](c2nnnn2C2CCCCC2)N2CC[NH+](C)CC2)cc1 ZINC000020121663 570941481 /nfs/dbraw/zinc/94/14/81/570941481.db2.gz KTXOVRDNPZJSQQ-HXUWFJFHSA-N 1 1 384.528 2.914 40 0 GFABMO CCOC(=O)/C=C/c1ccc(NC(=O)NC[C@@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000195529198 570947205 /nfs/dbraw/zinc/94/72/05/570947205.db2.gz FWILCURGPSGSGA-JZWGDYOSSA-N 1 1 389.496 2.882 40 0 GFABMO Cc1ncsc1C(=O)NC1CC[NH+](Cc2cc(-c3ccccn3)nn2C)CC1 ZINC000019562271 210264052 /nfs/dbraw/zinc/26/40/52/210264052.db2.gz POQPMMJLXPBKKP-UHFFFAOYSA-N 1 1 396.520 2.641 40 0 GFABMO CCn1cc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c(C)n1 ZINC000019524537 210257173 /nfs/dbraw/zinc/25/71/73/210257173.db2.gz GZGASSFHLNUCCY-KRWDZBQOSA-N 1 1 384.528 2.665 40 0 GFABMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019523826 210256934 /nfs/dbraw/zinc/25/69/34/210256934.db2.gz INOLWCATLNCXDC-GOSISDBHSA-N 1 1 398.555 2.973 40 0 GFABMO COc1cc2c(cc1O)CC[N@@H+](Cc1cn(CC(N)=O)c3ccccc13)[C@H]2C ZINC000019498328 210251880 /nfs/dbraw/zinc/25/18/80/210251880.db2.gz AECPPGWFNDDDJC-AWEZNQCLSA-N 1 1 379.460 2.960 40 0 GFABMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)CN3CCCCCC3=O)ccc21 ZINC000019289823 210237251 /nfs/dbraw/zinc/23/72/51/210237251.db2.gz UGXTZFMWTPQEIE-UHFFFAOYSA-N 1 1 397.523 2.900 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019211496 210230410 /nfs/dbraw/zinc/23/04/10/210230410.db2.gz VLWBYHYXKZYGKG-LJQANCHMSA-N 1 1 386.521 2.689 40 0 GFABMO O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019014791 210221350 /nfs/dbraw/zinc/22/13/50/210221350.db2.gz MIKYVXCBNWPGCD-IBGZPJMESA-N 1 1 384.524 2.782 40 0 GFABMO COc1ccc(C[N@H+]2C[C@@H]3[C@@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306142032 212055668 /nfs/dbraw/zinc/05/56/68/212055668.db2.gz WNKDGLRNSUPCJZ-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(C[N@H+]2C[C@H]3[C@H](C2)N(Cc2ccccn2)C(=O)c2cccn23)cc1 ZINC000306142033 212055361 /nfs/dbraw/zinc/05/53/61/212055361.db2.gz WNKDGLRNSUPCJZ-VXKWHMMOSA-N 1 1 388.471 2.973 40 0 GFABMO O=c1c(-c2ccccc2)nnc2n1CC[C@]21CC[N@H+](Cc2ccc(F)cc2)C1 ZINC000306143045 212054593 /nfs/dbraw/zinc/05/45/93/212054593.db2.gz XRQDSHJYXQDXNT-QFIPXVFZSA-N 1 1 376.435 2.992 40 0 GFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@H](COc1ccccn1)CC[N@@H+]2C ZINC000306137445 212053654 /nfs/dbraw/zinc/05/36/54/212053654.db2.gz QWIIYFXLRIQFFP-QGZVFWFLSA-N 1 1 398.507 2.946 40 0 GFABMO CCCc1onc(C)c1C(=O)N1CC2(C1)C[C@H](COc1ccccn1)CC[N@H+]2C ZINC000306137445 212053658 /nfs/dbraw/zinc/05/36/58/212053658.db2.gz QWIIYFXLRIQFFP-QGZVFWFLSA-N 1 1 398.507 2.946 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@H]1C[N@H+](Cc3cccs3)C[C@@H]1C2 ZINC000306140046 212052197 /nfs/dbraw/zinc/05/21/97/212052197.db2.gz UIFQRKLAPBZBPY-PBHICJAKSA-N 1 1 398.532 2.597 40 0 GFABMO Cc1nc(CN2C[C@@H]3C[N@@H+](Cc4cc(C)cc(C)c4)C[C@@H]3S2(=O)=O)cs1 ZINC000306125346 212045527 /nfs/dbraw/zinc/04/55/27/212045527.db2.gz CNAAZWBNQAPSDB-HKUYNNGSSA-N 1 1 391.562 2.714 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306126739 212045315 /nfs/dbraw/zinc/04/53/15/212045315.db2.gz FDTMVAHGIMXNTE-JKSUJKDBSA-N 1 1 379.489 2.896 40 0 GFABMO CCN1C(=O)CC[C@@H](C(=O)NCCCn2cc[nH+]c2C)[C@@H]1c1ccccc1OC ZINC000257341270 212027778 /nfs/dbraw/zinc/02/77/78/212027778.db2.gz ZJPGNLDXUJBMRG-NQIIRXRSSA-N 1 1 398.507 2.706 40 0 GFABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccccc1C)CC2 ZINC000257337227 212027388 /nfs/dbraw/zinc/02/73/88/212027388.db2.gz YRYHOBNNHOPCKJ-GOSISDBHSA-N 1 1 379.508 2.721 40 0 GFABMO CNc1nc([C@@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccccc1C)CC2 ZINC000257337227 212027393 /nfs/dbraw/zinc/02/73/93/212027393.db2.gz YRYHOBNNHOPCKJ-GOSISDBHSA-N 1 1 379.508 2.721 40 0 GFABMO CNC(=O)c1sc2nc([C@H]3CCCC[N@@H+]3Cc3cnccn3)ccc2c1N ZINC000257317201 212023706 /nfs/dbraw/zinc/02/37/06/212023706.db2.gz VITCKBABCCVFOG-OAHLLOKOSA-N 1 1 382.493 2.755 40 0 GFABMO CNC(=O)c1sc2nc([C@H]3CCCC[N@H+]3Cc3cnccn3)ccc2c1N ZINC000257317201 212023712 /nfs/dbraw/zinc/02/37/12/212023712.db2.gz VITCKBABCCVFOG-OAHLLOKOSA-N 1 1 382.493 2.755 40 0 GFABMO Cc1[nH+]ccn1CC(=O)N1CCC2(CC1)Oc1c(O)cccc1[C@H]1OCCC[C@@H]12 ZINC000257288419 212017600 /nfs/dbraw/zinc/01/76/00/212017600.db2.gz PUCIWKOOHFZUDC-FXAWDEMLSA-N 1 1 397.475 2.819 40 0 GFABMO CC(=O)Nc1nc(C)c(C(=O)N2CC[C@@H]3[C@H](C2)[C@@H](c2ccccc2)C[N@@H+]3C)s1 ZINC000257280776 212016301 /nfs/dbraw/zinc/01/63/01/212016301.db2.gz OMKFNFCKZDJJFY-KZNAEPCWSA-N 1 1 398.532 2.970 40 0 GFABMO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257235548 212008294 /nfs/dbraw/zinc/00/82/94/212008294.db2.gz GYGHHWUMHPBLFM-WOIUINJBSA-N 1 1 399.535 2.779 40 0 GFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@H+](Cc1ccco1)C2 ZINC000097952809 211373765 /nfs/dbraw/zinc/37/37/65/211373765.db2.gz HBEIRXXOSVVGDZ-JOCHJYFZSA-N 1 1 396.491 2.868 40 0 GFABMO CCN1C[C@]2(CC1=O)CN(C(=O)Nc1ccccc1)CC[N@@H+](Cc1ccco1)C2 ZINC000097952809 211373770 /nfs/dbraw/zinc/37/37/70/211373770.db2.gz HBEIRXXOSVVGDZ-JOCHJYFZSA-N 1 1 396.491 2.868 40 0 GFABMO CC(C)C[N@H+]1C[C@@H]2C(=O)N(C)C3(CCN(C(=O)Nc4ccccc4)CC3)[C@@H]2C1 ZINC000096262223 211326156 /nfs/dbraw/zinc/32/61/56/211326156.db2.gz IHBZMGYPHCHUPK-RBUKOAKNSA-N 1 1 384.524 2.729 40 0 GFABMO O=S(=O)(c1cccc(F)c1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215458 211319941 /nfs/dbraw/zinc/31/99/41/211319941.db2.gz HTVXCKSYSNUKKZ-FQEVSTJZSA-N 1 1 396.528 2.729 40 0 GFABMO Cc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cnn(CC(=O)Nc2ccc(F)cc2)c1 ZINC000019746118 210291548 /nfs/dbraw/zinc/29/15/48/210291548.db2.gz CWWVLQPMTNVULF-ZDUSSCGKSA-N 1 1 384.415 2.756 40 0 GFABMO COCCNC(=O)c1cc([C@@H]2CCC[N@@H+](Cc3ccc4ncccc4c3)C2)no1 ZINC000019593538 210275110 /nfs/dbraw/zinc/27/51/10/210275110.db2.gz OFODWZCGLXLPJN-GOSISDBHSA-N 1 1 394.475 2.979 40 0 GFABMO CN(C)C(=O)[C@@]1(Cc2cccc(-c3cccnc3)c2)C[N@@H+](CC2CC2)CCO1 ZINC000019580863 210271194 /nfs/dbraw/zinc/27/11/94/210271194.db2.gz SQISVCFNYPDJMM-HSZRJFAPSA-N 1 1 379.504 2.860 40 0 GFABMO COc1ccc(C[N@@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c(OC)c1 ZINC000019576401 210268811 /nfs/dbraw/zinc/26/88/11/210268811.db2.gz OVLRJTFAHOEQTQ-OFNKIYASSA-N 1 1 394.471 2.863 40 0 GFABMO COc1ccc(C[N@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)c(OC)c1 ZINC000019576401 210268815 /nfs/dbraw/zinc/26/88/15/210268815.db2.gz OVLRJTFAHOEQTQ-OFNKIYASSA-N 1 1 394.471 2.863 40 0 GFABMO COc1cccc(CN2CCC(c3ncc4c(n3)CC[N@@H+](C)C4)CC2)c1OC ZINC000019590720 210273870 /nfs/dbraw/zinc/27/38/70/210273870.db2.gz WAHNQTYJALCZHE-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO COc1cccc(CN2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1OC ZINC000019590720 210273875 /nfs/dbraw/zinc/27/38/75/210273875.db2.gz WAHNQTYJALCZHE-UHFFFAOYSA-N 1 1 382.508 2.861 40 0 GFABMO COc1cccc(CN2CCC[C@@H](c3ncc4c(n3)CC[N@@H+](C)C4)C2)c1OC ZINC000019590476 210273201 /nfs/dbraw/zinc/27/32/01/210273201.db2.gz NJRRSKNSKIPXSK-QGZVFWFLSA-N 1 1 382.508 2.861 40 0 GFABMO COc1cccc(CN2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1OC ZINC000019590476 210273204 /nfs/dbraw/zinc/27/32/04/210273204.db2.gz NJRRSKNSKIPXSK-QGZVFWFLSA-N 1 1 382.508 2.861 40 0 GFABMO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000014607433 221313579 /nfs/dbraw/zinc/31/35/79/221313579.db2.gz YIEFTPDPRPLHBN-QFBILLFUSA-N 1 1 380.444 2.747 40 0 GFABMO CCOC(=O)[C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000014607433 221313581 /nfs/dbraw/zinc/31/35/81/221313581.db2.gz YIEFTPDPRPLHBN-QFBILLFUSA-N 1 1 380.444 2.747 40 0 GFABMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2CCOCC2)Oc2ccccc2N1Cc1cccnc1 ZINC000096111836 560061076 /nfs/dbraw/zinc/06/10/76/560061076.db2.gz XSHCBNNWVLBFLI-ICSRJNTNSA-N 1 1 379.460 2.629 40 0 biogenic,in-vitro GFABMO CC[N@@H+](C[C@@]1(O)CN(C(=O)c2ccc(Cl)cc2)CC[C@@H]1O)C1CCCCC1 ZINC000585285153 570254232 /nfs/dbraw/zinc/25/42/32/570254232.db2.gz OINPTSXQBRITRK-PZJWPPBQSA-N 1 1 394.943 2.933 40 0 GFABMO C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000000902297 570514665 /nfs/dbraw/zinc/51/46/65/570514665.db2.gz NSUPOSXSXVIISN-QGZVFWFLSA-N 1 1 393.553 2.922 40 0 GFABMO C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)C1 ZINC000000902297 570514668 /nfs/dbraw/zinc/51/46/68/570514668.db2.gz NSUPOSXSXVIISN-QGZVFWFLSA-N 1 1 393.553 2.922 40 0 GFABMO Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCC[NH+](C)C)ccc1Cl ZINC000037020526 570570632 /nfs/dbraw/zinc/57/06/32/570570632.db2.gz VLTLUOOJGOFFMC-UHFFFAOYSA-N 1 1 395.912 2.741 40 0 GFABMO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012115931 570610669 /nfs/dbraw/zinc/61/06/69/570610669.db2.gz SNMQUCWCZJVZLT-CQSZACIVSA-N 1 1 385.493 2.930 40 0 GFABMO Cc1cc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](CC(=O)NCc3cccs3)C2)on1 ZINC000012115931 570610671 /nfs/dbraw/zinc/61/06/71/570610671.db2.gz SNMQUCWCZJVZLT-CQSZACIVSA-N 1 1 385.493 2.930 40 0 GFABMO COc1ccc(C2(O)CC[NH+](CC(=O)N(C)C3CCCCC3)CC2)c(OC)c1 ZINC000004967545 570654527 /nfs/dbraw/zinc/65/45/27/570654527.db2.gz MWMXAISPUNNLCO-UHFFFAOYSA-N 1 1 390.524 2.778 40 0 GFABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000585099142 570925689 /nfs/dbraw/zinc/92/56/89/570925689.db2.gz PNRUPKNFSZDZDE-MRXNPFEDSA-N 1 1 377.435 2.551 40 0 GFABMO COCCNC(=O)C[C@H]1Cn2cccc2C[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000585099142 570925692 /nfs/dbraw/zinc/92/56/92/570925692.db2.gz PNRUPKNFSZDZDE-MRXNPFEDSA-N 1 1 377.435 2.551 40 0 GFABMO CC(=O)NC1(c2ccc(F)cc2)CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000019496194 210252683 /nfs/dbraw/zinc/25/26/83/210252683.db2.gz OZOZBCWDVAWQBC-JXFKEZNVSA-N 1 1 389.515 2.948 40 0 GFABMO CC(C)Oc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3C2)cc1 ZINC000019450670 210248997 /nfs/dbraw/zinc/24/89/97/210248997.db2.gz YRDWOOFUCBRSKK-UHFFFAOYSA-N 1 1 377.448 2.572 40 0 GFABMO O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@H+](Cc1ccccc1F)CC2 ZINC000019349241 210243510 /nfs/dbraw/zinc/24/35/10/210243510.db2.gz RQZASVBYNQMENG-IBGZPJMESA-N 1 1 396.466 2.541 40 0 GFABMO O=C(C1CC1)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1F)CC2 ZINC000019349241 210243519 /nfs/dbraw/zinc/24/35/19/210243519.db2.gz RQZASVBYNQMENG-IBGZPJMESA-N 1 1 396.466 2.541 40 0 GFABMO O=C(C1CC1)N1CCC[C@H](c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2cccs2)CC3)C1 ZINC000019343590 210242557 /nfs/dbraw/zinc/24/25/57/210242557.db2.gz URYFFRUGANFMJG-HNNXBMFYSA-N 1 1 398.532 2.506 40 0 GFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](Cc4cccs4)C3)[nH]c(=O)c2C1 ZINC000019343443 210241510 /nfs/dbraw/zinc/24/15/10/210241510.db2.gz ALLSOSPSNQLFMS-OAHLLOKOSA-N 1 1 398.532 2.506 40 0 GFABMO Cc1[nH+]ccn1C[C@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 ZINC000019287694 210237762 /nfs/dbraw/zinc/23/77/62/210237762.db2.gz XYSOTIJHGHPEFS-DOTOQJQBSA-N 1 1 395.463 2.508 40 0 GFABMO COc1cc(C[N@H+]2CCC[C@H](c3cc(N)n4nc(C)cc4n3)C2)cc(OC)c1O ZINC000019129185 210227812 /nfs/dbraw/zinc/22/78/12/210227812.db2.gz IBHKOUIWDFMFLH-HNNXBMFYSA-N 1 1 397.479 2.722 40 0 GFABMO O=C(C1CC1)N1CCc2nc([C@@H]3CCC[N@@H+](CC4CCCCC4)C3)[nH]c(=O)c2C1 ZINC000019014782 210222456 /nfs/dbraw/zinc/22/24/56/210222456.db2.gz UGFWGVJGEUIZLI-GOSISDBHSA-N 1 1 398.551 2.824 40 0 GFABMO COc1cc2c(c(-c3c(O)c(OC)cc4c3C[N@H+](C)CC4)c1O)CN(C)CC2 ZINC000001719347 209337504 /nfs/dbraw/zinc/33/75/04/209337504.db2.gz IGKVQCQCYJDVAM-UHFFFAOYSA-N 1 1 384.476 2.758 40 0 GFABMO COc1cc2c(c(-c3c(O)c(OC)cc4c3C[N@@H+](C)CC4)c1O)CN(C)CC2 ZINC000001719347 209337507 /nfs/dbraw/zinc/33/75/07/209337507.db2.gz IGKVQCQCYJDVAM-UHFFFAOYSA-N 1 1 384.476 2.758 40 0 GFABMO Cc1cccc(C[N@@H+]2C[C@H]3Cc4nnc(C(=O)Nc5ccccc5)n4C[C@@H]3C2)n1 ZINC000306138727 212052531 /nfs/dbraw/zinc/05/25/31/212052531.db2.gz SFUASXMBNIUGOK-SJORKVTESA-N 1 1 388.475 2.538 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccnc4)C[C@@H]32)cs1 ZINC000306133205 212049724 /nfs/dbraw/zinc/04/97/24/212049724.db2.gz MFCHAOOKZHYQOC-OALUTQOASA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccnc4)C[C@@H]32)cs1 ZINC000306133205 212049728 /nfs/dbraw/zinc/04/97/28/212049728.db2.gz MFCHAOOKZHYQOC-OALUTQOASA-N 1 1 379.489 2.730 40 0 GFABMO O=C(C[N@@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257292047 212017408 /nfs/dbraw/zinc/01/74/08/212017408.db2.gz QJSXUBIHMONYRK-GMAHTHKFSA-N 1 1 396.487 2.820 40 0 GFABMO O=C(C[N@H+]1CC[C@@]2(CCCO2)[C@@H](O)C1)Nc1ccc(OCc2ccccc2)cc1 ZINC000257292047 212017412 /nfs/dbraw/zinc/01/74/12/212017412.db2.gz QJSXUBIHMONYRK-GMAHTHKFSA-N 1 1 396.487 2.820 40 0 GFABMO COC(=O)c1ccc2c(c1)CCN(c1cc(N[C@@H](CO)C(C)C)nc(C)[nH+]1)C2 ZINC000329060277 209159673 /nfs/dbraw/zinc/15/96/73/209159673.db2.gz WKSGWSGFLHHVGB-SFHVURJKSA-N 1 1 384.480 2.563 40 0 GFABMO CC1CCN(S(=O)(=O)c2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)CC1 ZINC000000902160 211495461 /nfs/dbraw/zinc/49/54/61/211495461.db2.gz UVCXSIVDNUEQIT-UHFFFAOYSA-N 1 1 393.553 2.778 40 0 GFABMO Cc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1C ZINC000096308952 211333926 /nfs/dbraw/zinc/33/39/26/211333926.db2.gz GCFGHGCBNPUAFO-OAQYLSRUSA-N 1 1 377.488 2.753 40 0 GFABMO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@H+]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000096244900 211324259 /nfs/dbraw/zinc/32/42/59/211324259.db2.gz DZGUPYCGOPTRNK-PXNSSMCTSA-N 1 1 382.533 2.564 40 0 GFABMO O=C(c1cscn1)N1C[C@H]2[C@H](C[N@@H+]2C2CCN(Cc3ccccc3)CC2)C1 ZINC000096244900 211324264 /nfs/dbraw/zinc/32/42/64/211324264.db2.gz DZGUPYCGOPTRNK-PXNSSMCTSA-N 1 1 382.533 2.564 40 0 GFABMO CN(Cc1ccccn1)C(=O)[C@H]1C[C@]2(CO1)c1ccccc1C[N@@H+]2CC1CC1 ZINC000096143918 211307866 /nfs/dbraw/zinc/30/78/66/211307866.db2.gz MKDJMGBNBBDDLW-GGAORHGYSA-N 1 1 377.488 2.950 40 0 GFABMO COc1cc2c(cc1CN1CCc3nnc([C@H]4CCCC[NH2+]4)n3CC1)CCC2 ZINC000072372827 211103581 /nfs/dbraw/zinc/10/35/81/211103581.db2.gz CPDXJQCAHUAOFK-LJQANCHMSA-N 1 1 381.524 2.648 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072374016 211102850 /nfs/dbraw/zinc/10/28/50/211102850.db2.gz ZITRCMCNFHMGGP-SFHVURJKSA-N 1 1 378.480 2.501 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@@H](c3cncc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072355317 211098741 /nfs/dbraw/zinc/09/87/41/211098741.db2.gz PPVMOGQYCORUNR-GOSISDBHSA-N 1 1 391.475 2.928 40 0 GFABMO Cc1nc([C@@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)N(C)C ZINC000019763116 210295991 /nfs/dbraw/zinc/29/59/91/210295991.db2.gz FUJFFGLGPTXASW-MRXNPFEDSA-N 1 1 386.471 2.884 40 0 GFABMO Cc1nn(C)c2nc(C3CCN(C(=O)[C@@H](C)Cn4cc[nH+]c4C)CC3)ccc12 ZINC000019744594 210290145 /nfs/dbraw/zinc/29/01/45/210290145.db2.gz LEYWEUXXGUFLAV-AWEZNQCLSA-N 1 1 380.496 2.824 40 0 GFABMO CN(C)c1cccc(OCC(=O)N2CCCC[C@H]2c2cc(C[NH+](C)C)n(C)n2)c1 ZINC000019709178 210284662 /nfs/dbraw/zinc/28/46/62/210284662.db2.gz TXOFFPTYHJLFOJ-NRFANRHFSA-N 1 1 399.539 2.680 40 0 GFABMO CC(C)[N@@H+]1Cc2cn(C)nc2[C@@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 ZINC000019695688 210280562 /nfs/dbraw/zinc/28/05/62/210280562.db2.gz PDRRSPVZXUAUHK-SFHVURJKSA-N 1 1 383.471 2.707 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654522 210276516 /nfs/dbraw/zinc/27/65/16/210276516.db2.gz JGJNGTGAODDZHX-INIZCTEOSA-N 1 1 380.496 2.806 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@@H](Cc2nc3ccccc3[nH]2)C1 ZINC000019654522 210276520 /nfs/dbraw/zinc/27/65/20/210276520.db2.gz JGJNGTGAODDZHX-INIZCTEOSA-N 1 1 380.496 2.806 40 0 GFABMO COc1cccc(CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019590295 210273315 /nfs/dbraw/zinc/27/33/15/210273315.db2.gz IPQAPFWTLWADSL-FQEVSTJZSA-N 1 1 380.492 2.769 40 0 GFABMO COc1ccc(OC)c(C(=O)N2CCC(c3ncc4c(n3)CC[N@H+](C)C4)CC2)c1 ZINC000019590688 210272184 /nfs/dbraw/zinc/27/21/84/210272184.db2.gz JZWAORRFHRBBQM-UHFFFAOYSA-N 1 1 396.491 2.502 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)cc1 ZINC000096050256 136183428 /nfs/dbraw/zinc/18/34/28/136183428.db2.gz OJXLQLMMUMNIBL-JOCHJYFZSA-N 1 1 383.467 2.757 40 0 GFABMO Cc1ccc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)s1 ZINC000096051307 136183489 /nfs/dbraw/zinc/18/34/89/136183489.db2.gz HTRPGQLXFIUXTA-FQEVSTJZSA-N 1 1 390.480 2.830 40 0 GFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(CN(c4ccc(F)cc4)C(=O)CO3)C2)s1 ZINC000096051307 136183490 /nfs/dbraw/zinc/18/34/90/136183490.db2.gz HTRPGQLXFIUXTA-FQEVSTJZSA-N 1 1 390.480 2.830 40 0 GFABMO C=C1[NH+]=C(SC)N[C@H](c2cc(OC)c(OC)c(OC)c2)C1C(=O)OCC ZINC000408994693 528617715 /nfs/dbraw/zinc/61/77/15/528617715.db2.gz ZQFRICGJOQXNQM-OAHLLOKOSA-N 1 1 380.466 2.913 40 0 GFABMO CC(=O)N1CCC([N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)CC1 ZINC000096112330 560060798 /nfs/dbraw/zinc/06/07/98/560060798.db2.gz FYLVHTLTKLCDMQ-XLIONFOSSA-N 1 1 388.487 2.730 40 0 biogenic,in-vitro GFABMO CC(=O)N1CCC([N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C)c(C)cc4[nH]3)C2)CC1 ZINC000096112330 560060800 /nfs/dbraw/zinc/06/08/00/560060800.db2.gz FYLVHTLTKLCDMQ-XLIONFOSSA-N 1 1 388.487 2.730 40 0 biogenic,in-vitro GFABMO Cn1cc(C[N@H+]2CCC[C@H]2c2nc(-c3cncnc3N)no2)c2ccccc21 ZINC000035426059 560080624 /nfs/dbraw/zinc/08/06/24/560080624.db2.gz MJMCYWYSCMAEQH-KRWDZBQOSA-N 1 1 375.436 2.938 40 0 biogenic,in-vitro GFABMO COCCOc1cc(C[N@@H+](C)C[C@@H](O)COC2CCCCC2)ccc1OC ZINC000585262506 570230633 /nfs/dbraw/zinc/23/06/33/570230633.db2.gz HJBIKJFSRFNXRK-GOSISDBHSA-N 1 1 381.513 2.862 40 0 GFABMO CCOCCOc1ccc(C[N@@H+](C)C[C@@H](O)COc2ccc(OC)cc2)cc1 ZINC000585269847 570238765 /nfs/dbraw/zinc/23/87/65/570238765.db2.gz MCOBDRHABVJJHY-LJQANCHMSA-N 1 1 389.492 2.982 40 0 GFABMO Oc1ccc(C[N@@H+]2CC[C@H](O)[C@@](O)(COc3ccc(Cl)c(F)c3)C2)cc1 ZINC000585286020 570255760 /nfs/dbraw/zinc/25/57/60/570255760.db2.gz GURXIRGLQVJJOP-OALUTQOASA-N 1 1 381.831 2.561 40 0 GFABMO COc1cc2c(cc1S(=O)(=O)NCCC[N@H+]1CCC[C@@H](C)C1)CCCC2 ZINC000223250786 570453459 /nfs/dbraw/zinc/45/34/59/570453459.db2.gz XRPPJKPNDFOLHY-MRXNPFEDSA-N 1 1 380.554 2.974 40 0 GFABMO Cc1cc2oc(=O)cc(C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2cc1O ZINC000028571618 570461708 /nfs/dbraw/zinc/46/17/08/570461708.db2.gz ROVPUTKHWZSOSC-GOEBONIOSA-N 1 1 378.428 2.588 40 0 GFABMO Cn1ccnc1COc1ccc(C[N@@H+](C)C[C@H](O)COc2ccccc2)cc1 ZINC000257243685 570488230 /nfs/dbraw/zinc/48/82/30/570488230.db2.gz IICXXMHWJUPQTL-IBGZPJMESA-N 1 1 381.476 2.871 40 0 GFABMO C[N@H+](Cc1ccc(OCCOCCO)cc1)C[C@H](O)Cn1ccc2ccccc21 ZINC000257294128 570488765 /nfs/dbraw/zinc/48/87/65/570488765.db2.gz QSQQVXPOCYTQFO-NRFANRHFSA-N 1 1 398.503 2.522 40 0 GFABMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1ccccc1N(C)S(C)(=O)=O ZINC000030866794 570499857 /nfs/dbraw/zinc/49/98/57/570499857.db2.gz MTPPRBRRLJQUGD-UHFFFAOYSA-N 1 1 398.488 2.507 40 0 GFABMO COc1ccccc1OC[C@@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000031666912 570505431 /nfs/dbraw/zinc/50/54/31/570505431.db2.gz UOYSXEIZIYJLRI-SFHVURJKSA-N 1 1 376.884 2.911 40 0 GFABMO COc1ccccc1[C@H]1[NH+]=C(NCc2ccccc2)Nc2nc(C)cc(=O)n21 ZINC000009287527 570554635 /nfs/dbraw/zinc/55/46/35/570554635.db2.gz RVRFWJHPCWYKKN-IBGZPJMESA-N 1 1 375.432 2.679 40 0 GFABMO C=C1[NH+]=C(SCC(=O)OC)N[C@H](c2ccccc2OCC)C1C(=O)OCC ZINC000408991318 570690220 /nfs/dbraw/zinc/69/02/20/570690220.db2.gz QDRQAFNYFBOOES-QGZVFWFLSA-N 1 1 392.477 2.829 40 0 GFABMO C[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000072341142 570880902 /nfs/dbraw/zinc/88/09/02/570880902.db2.gz FVTYKMBURSYQQQ-FOIQADDNSA-N 1 1 393.491 2.773 40 0 GFABMO CC(C)C[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446850 570925993 /nfs/dbraw/zinc/92/59/93/570925993.db2.gz AHWULOJENQKRJC-RTWAWAEBSA-N 1 1 398.555 2.757 40 0 GFABMO COC[C@@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)C1(F)CCC1)CC2 ZINC000585103746 570929093 /nfs/dbraw/zinc/92/90/93/570929093.db2.gz OAVOYDLAPKLRLV-SFHVURJKSA-N 1 1 375.488 2.803 40 0 GFABMO COC[C@H]1CC2(C[N@H+]1Cc1cccnc1)CCN(C(=O)C1CC(F)C1)CC2 ZINC000585103480 570932036 /nfs/dbraw/zinc/93/20/36/570932036.db2.gz GVNLIOTYWKNFAY-CTWPCTMYSA-N 1 1 375.488 2.659 40 0 GFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2 ZINC000585103411 570932090 /nfs/dbraw/zinc/93/20/90/570932090.db2.gz GEYSRUSFIHHMBS-NRFANRHFSA-N 1 1 395.503 2.931 40 0 GFABMO COc1cc(C)c(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019567121 210266278 /nfs/dbraw/zinc/26/62/78/210266278.db2.gz AHYOGYMUQMHPNI-FDFHNCONSA-N 1 1 396.531 2.874 40 0 GFABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)c3cccnc3)CC2)n(C)n1 ZINC000019562508 210264303 /nfs/dbraw/zinc/26/43/03/210264303.db2.gz JUEFCJJQQSFUBG-UHFFFAOYSA-N 1 1 396.520 2.641 40 0 GFABMO C=Cn1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(N4CCCCC4)n3)C2)c1C ZINC000019554354 210262208 /nfs/dbraw/zinc/26/22/08/210262208.db2.gz VPAHGOQKBANHBD-QGZVFWFLSA-N 1 1 382.512 2.745 40 0 GFABMO Cc1nn(C[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019556795 210261990 /nfs/dbraw/zinc/26/19/90/210261990.db2.gz OQLDYGGEGQEGRY-VLIAUNLRSA-N 1 1 396.539 2.586 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CC[C@@H](c3nc(-c4ccccn4)cc(=O)[nH]3)C2)c1 ZINC000019551439 210260697 /nfs/dbraw/zinc/26/06/97/210260697.db2.gz VSDPLSOZOUQJDT-OAHLLOKOSA-N 1 1 392.459 2.839 40 0 GFABMO CCOc1ccc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@@H]2Cc2ccccc2)cc1OC ZINC000019533930 210258670 /nfs/dbraw/zinc/25/86/70/210258670.db2.gz RREZKVXKSNYMBL-FDFHNCONSA-N 1 1 396.531 2.956 40 0 GFABMO CCc1ncc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(-c4ccccn4)n3)C2)cn1 ZINC000019523391 210257153 /nfs/dbraw/zinc/25/71/53/210257153.db2.gz LUHPXIGUFGJWRD-MRXNPFEDSA-N 1 1 376.464 2.564 40 0 GFABMO C[C@H]1CCc2onc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)c2C1 ZINC000019497122 210252859 /nfs/dbraw/zinc/25/28/59/210252859.db2.gz WTRUZKVVUMXTPP-GJZGRUSLSA-N 1 1 395.507 2.597 40 0 GFABMO CC(C)[N@@H+]1CCc2nc3cc(C(=O)N4CCC[C@@H](C)C4)ccc3c(=O)n2CC1 ZINC000019496476 210252301 /nfs/dbraw/zinc/25/23/01/210252301.db2.gz SGOVPTADLNHBAA-MRXNPFEDSA-N 1 1 382.508 2.535 40 0 GFABMO O=C(N[C@@H](c1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400510 210247153 /nfs/dbraw/zinc/24/71/53/210247153.db2.gz KURHUPKLZRHODK-BBTUJRGHSA-N 1 1 380.492 2.696 40 0 GFABMO CC(=O)Nc1ccc([C@@H]2C[N@@H+](Cc3cccc(C)n3)C[C@]23CCCC(=O)N3)cc1 ZINC000019236334 210234309 /nfs/dbraw/zinc/23/43/09/210234309.db2.gz JRFDFXOCCZHNJF-JTHBVZDNSA-N 1 1 392.503 2.987 40 0 GFABMO Cc1nn(C[C@H](C)C(=O)N2CCC[N@H+](Cc3cccc(C)n3)CC2)c(C)c1C ZINC000019236260 210234074 /nfs/dbraw/zinc/23/40/74/210234074.db2.gz UMUJLSMEMHVRKC-INIZCTEOSA-N 1 1 383.540 2.882 40 0 GFABMO Cc1nn(C[C@H](C)C(=O)N2CCC[N@@H+](Cc3cccc(C)n3)CC2)c(C)c1C ZINC000019236260 210234081 /nfs/dbraw/zinc/23/40/81/210234081.db2.gz UMUJLSMEMHVRKC-INIZCTEOSA-N 1 1 383.540 2.882 40 0 GFABMO C[NH+]1CCN(c2ccc(NC(=S)NC(=O)c3ccco3)cc2Cl)CC1 ZINC000408628000 529777616 /nfs/dbraw/zinc/77/76/16/529777616.db2.gz PFXWOFBXECFASU-UHFFFAOYSA-N 1 1 378.885 2.812 40 0 GFABMO CN(Cc1ccccc1)C(=O)[C@@H]1CN(C)CC2(CC[NH+](Cc3ccoc3)CC2)O1 ZINC000306144533 212054691 /nfs/dbraw/zinc/05/46/91/212054691.db2.gz ZICHJTOGLCTLCG-NRFANRHFSA-N 1 1 397.519 2.603 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccccc3F)C[C@H]1C2 ZINC000306134748 212050522 /nfs/dbraw/zinc/05/05/22/212050522.db2.gz NXBRFGVAZMRDIU-SJORKVTESA-N 1 1 391.450 2.974 40 0 GFABMO O=C(NCc1cccnc1)c1ncc2n1C[C@H]1C[N@H+](Cc3ccc(F)cc3)C[C@H]21 ZINC000306129123 212047756 /nfs/dbraw/zinc/04/77/56/212047756.db2.gz HVCBCEUSPKROKP-MJGOQNOKSA-N 1 1 391.450 2.576 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306125200 212045572 /nfs/dbraw/zinc/04/55/72/212045572.db2.gz CJAYXMIBSWRJLX-FQEVSTJZSA-N 1 1 387.505 2.518 40 0 GFABMO CC(C)N1C[C@@]2(CC[N@@H+](Cc3cccnc3)C2)Oc2ccccc2S1(=O)=O ZINC000306125200 212045575 /nfs/dbraw/zinc/04/55/75/212045575.db2.gz CJAYXMIBSWRJLX-FQEVSTJZSA-N 1 1 387.505 2.518 40 0 GFABMO COc1ncccc1C[N@@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123237 212042051 /nfs/dbraw/zinc/04/20/51/212042051.db2.gz AIEYGXZHNLKIGI-NHCUHLMSSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ncccc1C[N@H+]1C[C@@H]2[C@@H](C1)N(Cc1ccccc1)C(=O)c1cccn12 ZINC000306123237 212042055 /nfs/dbraw/zinc/04/20/55/212042055.db2.gz AIEYGXZHNLKIGI-NHCUHLMSSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CC[N@@H+](Cc3ccnn3C)C2)cc1 ZINC000257327648 212026741 /nfs/dbraw/zinc/02/67/41/212026741.db2.gz XCESXKJUMPDSNW-QGZVFWFLSA-N 1 1 392.507 2.941 40 0 GFABMO Cc1nc2ccccc2n1CCCC(=O)N[C@@H]1CCC[C@@H](n2cc[nH+]c2C)[C@@H]1O ZINC000257304413 212020519 /nfs/dbraw/zinc/02/05/19/212020519.db2.gz SLNVUHOUUJOADF-SYYKKAFVSA-N 1 1 395.507 2.901 40 0 GFABMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCC3(F)F)cs1 ZINC000096239792 211323502 /nfs/dbraw/zinc/32/35/02/211323502.db2.gz CFJIGXPXVUNIGW-MRXNPFEDSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CN(C(=O)c2cc[nH]n2)CCC3(F)F)cs1 ZINC000096239792 211323505 /nfs/dbraw/zinc/32/35/05/211323505.db2.gz CFJIGXPXVUNIGW-MRXNPFEDSA-N 1 1 381.452 2.548 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 ZINC000096242424 211322902 /nfs/dbraw/zinc/32/29/02/211322902.db2.gz RSCRKKKPVRAXSC-UHFFFAOYSA-N 1 1 396.535 2.729 40 0 GFABMO Cc1noc(C)c1C[N@H+]1Cc2ccccc2C2(CCN(CC(=O)N(C)C)CC2)C1 ZINC000096242424 211322907 /nfs/dbraw/zinc/32/29/07/211322907.db2.gz RSCRKKKPVRAXSC-UHFFFAOYSA-N 1 1 396.535 2.729 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@H]3[C@H](CC[C@@]34N=C(c3ccccc3)NC4=O)C2)c1 ZINC000096087558 211300274 /nfs/dbraw/zinc/30/02/74/211300274.db2.gz JCPOBUVKRPULRH-QMHWCDLVSA-N 1 1 375.472 2.852 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@H+](Cc1nccs1)CCC2 ZINC000096056042 211298392 /nfs/dbraw/zinc/29/83/92/211298392.db2.gz KKORJCXCVNJAOH-JXFKEZNVSA-N 1 1 386.521 2.820 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1nccs1)CCC2 ZINC000096056042 211298394 /nfs/dbraw/zinc/29/83/94/211298394.db2.gz KKORJCXCVNJAOH-JXFKEZNVSA-N 1 1 386.521 2.820 40 0 GFABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[N@@H+]1Cc1ncc[nH]1 ZINC000072370422 211102251 /nfs/dbraw/zinc/10/22/51/211102251.db2.gz RVTNISFSKWKCHA-OAHLLOKOSA-N 1 1 398.532 2.944 40 0 GFABMO O=C(NCCO)c1sc2ccccc2c1C[C@H]1CCCC[N@H+]1Cc1ncc[nH]1 ZINC000072370422 211102255 /nfs/dbraw/zinc/10/22/55/211102255.db2.gz RVTNISFSKWKCHA-OAHLLOKOSA-N 1 1 398.532 2.944 40 0 GFABMO Cc1nc(N)c2ccc([C@@H]3CCC[N@H+](CC(=O)N(C)C4CCCCC4)C3)nc2n1 ZINC000019743315 210290547 /nfs/dbraw/zinc/29/05/47/210290547.db2.gz IAJVUPMYCGDHCO-MRXNPFEDSA-N 1 1 396.539 2.886 40 0 GFABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCC[N@@H+]3CC3CC3)nc2n(C)c1=O ZINC000019743654 210290571 /nfs/dbraw/zinc/29/05/71/210290571.db2.gz TWHWAHUWLLGVHI-AWEZNQCLSA-N 1 1 396.413 2.588 40 0 GFABMO Cn1c(=O)c2c(C(F)(F)F)cc([C@@H]3CCCC[N@H+]3CC3CC3)nc2n(C)c1=O ZINC000019743654 210290575 /nfs/dbraw/zinc/29/05/75/210290575.db2.gz TWHWAHUWLLGVHI-AWEZNQCLSA-N 1 1 396.413 2.588 40 0 GFABMO Cn1nc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)cc1C[NH+](C)C ZINC000019709029 210284193 /nfs/dbraw/zinc/28/41/93/210284193.db2.gz IUHHVWJEUXGJMK-CQSZACIVSA-N 1 1 396.944 2.703 40 0 GFABMO Cn1nc([C@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)cc1C[NH+](C)C ZINC000019709030 210283422 /nfs/dbraw/zinc/28/34/22/210283422.db2.gz IUHHVWJEUXGJMK-AWEZNQCLSA-N 1 1 396.944 2.703 40 0 GFABMO O=C([C@H]1CC(c2ccccc2Cl)=NO1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000019662149 210279935 /nfs/dbraw/zinc/27/99/35/210279935.db2.gz DBCNSDJMPRTNBF-HXUWFJFHSA-N 1 1 398.894 2.963 40 0 GFABMO O=C([C@H]1CC(c2ccccc2Cl)=NO1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000019662149 210279938 /nfs/dbraw/zinc/27/99/38/210279938.db2.gz DBCNSDJMPRTNBF-HXUWFJFHSA-N 1 1 398.894 2.963 40 0 GFABMO Cc1nc2cc(NC(=O)[C@@H]3CCC[N@@H+](CC(N)=O)C3)ccc2n1C1CCCCC1 ZINC000019663700 210279620 /nfs/dbraw/zinc/27/96/20/210279620.db2.gz HWHIFHBWVXLIAC-MRXNPFEDSA-N 1 1 397.523 2.986 40 0 GFABMO COc1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2(O)c1cnc(OC)nc1OC ZINC000019570004 210268518 /nfs/dbraw/zinc/26/85/18/210268518.db2.gz WQTSZKUNBIKKBA-AQKKSAQBSA-N 1 1 399.491 2.622 40 0 GFABMO COc1cc(CN2C[C@@H]3C[C@@H](O)C[N@H+]3C[C@H]2Cc2ccccc2)cc(OC)c1 ZINC000019595148 210274416 /nfs/dbraw/zinc/27/44/16/210274416.db2.gz XLNCKDPXAFISKF-QHAWAJNXSA-N 1 1 382.504 2.566 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3S(=O)(=O)c3ccc(F)cc3)ncc2C1 ZINC000019590354 210271677 /nfs/dbraw/zinc/27/16/77/210271677.db2.gz IULLCCVHGAHVRB-SFHVURJKSA-N 1 1 390.484 2.520 40 0 GFABMO C[C@H](C[N@H+]1CCc2c(nc(N3C[C@@H](C)O[C@@H](C)C3)[nH]c2=O)C1)c1ccccc1 ZINC000072335495 136168378 /nfs/dbraw/zinc/16/83/78/136168378.db2.gz FABMBFBEXQWRLX-ZACQAIPSSA-N 1 1 382.508 2.958 40 0 GFABMO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@H+](Cc1ccc3nccnc3c1)C2 ZINC000072347326 136168899 /nfs/dbraw/zinc/16/88/99/136168899.db2.gz SUKQBJSLNICNLE-OAHLLOKOSA-N 1 1 390.491 2.650 40 0 GFABMO C[C@@H]1CCCCN1c1nc2c(c(=O)[nH]1)CC[N@@H+](Cc1ccc3nccnc3c1)C2 ZINC000072347326 136168900 /nfs/dbraw/zinc/16/89/00/136168900.db2.gz SUKQBJSLNICNLE-OAHLLOKOSA-N 1 1 390.491 2.650 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@](O)(COc2ccccc2F)CC1)NCc1ccccc1 ZINC000585272860 570241143 /nfs/dbraw/zinc/24/11/43/570241143.db2.gz KBZKWIGRCATHHP-QFIPXVFZSA-N 1 1 386.467 2.738 40 0 GFABMO O[C@H]1CC[N@@H+](CC2(O)CCCCCC2)C[C@]1(O)COc1cccc(Cl)c1 ZINC000585282082 570250078 /nfs/dbraw/zinc/25/00/78/570250078.db2.gz GVPVTTCVVPLFCW-ICSRJNTNSA-N 1 1 383.916 2.602 40 0 GFABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCN(c2ccc(C)cc2)CC1 ZINC000585284684 570253974 /nfs/dbraw/zinc/25/39/74/570253974.db2.gz VENGZOAOLOVGPD-FGZHOGPDSA-N 1 1 385.552 2.802 40 0 GFABMO O=S(=O)(c1cncc(Cl)c1SCc1ccccc1)N1CC[NH2+]CC1 ZINC000072210784 570313778 /nfs/dbraw/zinc/31/37/78/570313778.db2.gz CGEPIGKIQLJRIN-UHFFFAOYSA-N 1 1 383.926 2.621 40 0 GFABMO [NH3+][C@H]1C(=O)N(c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1 ZINC000072227680 570318851 /nfs/dbraw/zinc/31/88/51/570318851.db2.gz JVUFMAVHLVFNIB-HZPDHXFCSA-N 1 1 375.222 2.636 40 0 GFABMO COC(=O)c1ccc(CS(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000030753843 570494823 /nfs/dbraw/zinc/49/48/23/570494823.db2.gz VLGBEGFMKKMEDI-UHFFFAOYSA-N 1 1 399.472 2.587 40 0 GFABMO c1cc(CN(CCC[NH+]2CCOCC2)Cc2cccnc2)n([C@@H]2CCCCO2)n1 ZINC000036740088 570568459 /nfs/dbraw/zinc/56/84/59/570568459.db2.gz MJCHKRVRGOQBQW-QFIPXVFZSA-N 1 1 399.539 2.702 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)COc2ncnc3ccccc32)CC1 ZINC000012143814 570615303 /nfs/dbraw/zinc/61/53/03/570615303.db2.gz IPNSPBVSEXYJNY-UHFFFAOYSA-N 1 1 379.464 2.842 40 0 GFABMO CCC(=O)N1CCCc2cc([C@@H](O)C[NH+]3CCN(c4ccccn4)CC3)ccc21 ZINC000012291574 570633325 /nfs/dbraw/zinc/63/33/25/570633325.db2.gz DVHFCNUBIDWAPD-NRFANRHFSA-N 1 1 394.519 2.626 40 0 GFABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)c1cnoc1)CC2 ZINC000247829173 570716544 /nfs/dbraw/zinc/71/65/44/570716544.db2.gz GWXQEMGWUYSXPN-KRWDZBQOSA-N 1 1 375.494 2.737 40 0 GFABMO COCC[N@H+]1C[C@H](COC)C2(C1)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000585102911 570931158 /nfs/dbraw/zinc/93/11/58/570931158.db2.gz HXDGYSUQTVGOST-QGZVFWFLSA-N 1 1 378.488 2.581 40 0 GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)n1 ZINC000019572902 210268008 /nfs/dbraw/zinc/26/80/08/210268008.db2.gz IWZCHNXLAKDKNH-PXNSSMCTSA-N 1 1 396.539 2.983 40 0 GFABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccn1CCOc1ccc(Cl)cc1 ZINC000019575300 210267099 /nfs/dbraw/zinc/26/70/99/210267099.db2.gz SXYSQLFCCAYPMQ-NSISKUIASA-N 1 1 389.927 2.860 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@@H](c3cc(C(=O)N4CCC(O)CC4)on3)C2)c1 ZINC000019565116 210266419 /nfs/dbraw/zinc/26/64/19/210266419.db2.gz LGBURAPANSMIAJ-QGZVFWFLSA-N 1 1 399.491 2.660 40 0 GFABMO COc1ccc(C[N@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1CO ZINC000019559251 210263975 /nfs/dbraw/zinc/26/39/75/210263975.db2.gz YARQDIKWXKFYKW-FXAWDEMLSA-N 1 1 380.492 2.840 40 0 GFABMO COc1ccc(C[N@@H+]2[C@@H]3CC[C@H]2Cc2nc(N4CCCC4)ncc23)cc1CO ZINC000019559251 210263978 /nfs/dbraw/zinc/26/39/78/210263978.db2.gz YARQDIKWXKFYKW-FXAWDEMLSA-N 1 1 380.492 2.840 40 0 GFABMO Cc1ncsc1-c1cc(C[NH+]2CCC(NC(=O)C(C)(C)C)CC2)n(C)n1 ZINC000019562416 210263704 /nfs/dbraw/zinc/26/37/04/210263704.db2.gz XMOVACLBRPZPIN-UHFFFAOYSA-N 1 1 375.542 2.979 40 0 GFABMO CCOc1ccccc1C(=O)N1CCC(c2ncc3c(n2)CC[N@H+](C)C3)CC1 ZINC000019520048 210255373 /nfs/dbraw/zinc/25/53/73/210255373.db2.gz GBTKZCKAIHXMND-UHFFFAOYSA-N 1 1 380.492 2.883 40 0 GFABMO C[C@H]1Cc2cc(C(=O)N3CCC[C@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)ccc2O1 ZINC000019497928 210252548 /nfs/dbraw/zinc/25/25/48/210252548.db2.gz SHPAOOXBTXFXTM-RDJZCZTQSA-N 1 1 392.503 2.808 40 0 GFABMO C[C@@H]1Cc2cc([C@H](O)C[NH+]3CCN(Cc4ccc5c(c4)OCO5)CC3)ccc2O1 ZINC000019498025 210252241 /nfs/dbraw/zinc/25/22/41/210252241.db2.gz LRUZEEAIBABYPH-OXQOHEQNSA-N 1 1 396.487 2.590 40 0 GFABMO O=C(C1CCC1)N1CCc2c(=O)[nH]c([C@H]3CC[N@@H+](Cc4cccs4)C3)nc2C1 ZINC000019343395 210241990 /nfs/dbraw/zinc/24/19/90/210241990.db2.gz FADMKYRVQMEWAR-HNNXBMFYSA-N 1 1 398.532 2.506 40 0 GFABMO O=C(C1CC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](Cc1cccs1)CC2 ZINC000019343555 210241007 /nfs/dbraw/zinc/24/10/07/210241007.db2.gz TZICAAVTDKSWOO-GOSISDBHSA-N 1 1 398.532 2.853 40 0 GFABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@H](n2nc(-c3ccco3)ccc2=O)C1 ZINC000019287699 210238122 /nfs/dbraw/zinc/23/81/22/210238122.db2.gz XYSOTIJHGHPEFS-WBVHZDCISA-N 1 1 395.463 2.508 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)cc1 ZINC000019211494 210232017 /nfs/dbraw/zinc/23/20/17/210232017.db2.gz VLWBYHYXKZYGKG-IBGZPJMESA-N 1 1 386.521 2.689 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)c2nccnc21 ZINC000019021588 210223962 /nfs/dbraw/zinc/22/39/62/210223962.db2.gz SACJJKJDZRKCDU-INIZCTEOSA-N 1 1 398.898 2.605 40 0 GFABMO C[C@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019078498 210223676 /nfs/dbraw/zinc/22/36/76/210223676.db2.gz RPDOHJNRDBCLNW-JKSUJKDBSA-N 1 1 398.482 2.777 40 0 GFABMO CN1CC[N@H+](Cc2ccncc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306141582 212055191 /nfs/dbraw/zinc/05/51/91/212055191.db2.gz WBAVHBSAAKGJRS-FQEVSTJZSA-N 1 1 376.508 2.818 40 0 GFABMO CN1CC[N@@H+](Cc2ccncc2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306141582 212055192 /nfs/dbraw/zinc/05/51/92/212055192.db2.gz WBAVHBSAAKGJRS-FQEVSTJZSA-N 1 1 376.508 2.818 40 0 GFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccoc3)C[C@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140953 212052776 /nfs/dbraw/zinc/05/27/76/212052776.db2.gz VHMMBLHRYJUDKO-RXVVDRJESA-N 1 1 386.496 2.522 40 0 GFABMO Cn1cc(C[N@@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306136206 212050772 /nfs/dbraw/zinc/05/07/72/212050772.db2.gz PMPZXIRADOXDEA-OAQYLSRUSA-N 1 1 387.491 2.619 40 0 GFABMO Cn1cc(C[N@H+]2CCN(C)[C@@H](c3cn4c(cccc4-c4ccncc4)n3)C2)cn1 ZINC000306136206 212050776 /nfs/dbraw/zinc/05/07/76/212050776.db2.gz PMPZXIRADOXDEA-OAQYLSRUSA-N 1 1 387.491 2.619 40 0 GFABMO C[N@@H+]1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cccs1)C2 ZINC000306129356 212046840 /nfs/dbraw/zinc/04/68/40/212046840.db2.gz IBEGOQMYEXRRER-CQSZACIVSA-N 1 1 375.469 2.898 40 0 GFABMO C[N@H+]1CC[C@@H](COc2ncccc2F)CC12CN(C(=O)c1cccs1)C2 ZINC000306129356 212046845 /nfs/dbraw/zinc/04/68/45/212046845.db2.gz IBEGOQMYEXRRER-CQSZACIVSA-N 1 1 375.469 2.898 40 0 GFABMO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306130396 212047561 /nfs/dbraw/zinc/04/75/61/212047561.db2.gz JEYKAWNHDUDBPI-FQEVSTJZSA-N 1 1 376.508 2.818 40 0 GFABMO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1cn2c(cccc2N2CCCC2)n1 ZINC000306130396 212047562 /nfs/dbraw/zinc/04/75/62/212047562.db2.gz JEYKAWNHDUDBPI-FQEVSTJZSA-N 1 1 376.508 2.818 40 0 GFABMO CC(C)CS(=O)(=O)N[C@@H]1CCCC[C@@]12C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000306123911 212045006 /nfs/dbraw/zinc/04/50/06/212045006.db2.gz BAHBELYJQDXKMC-VAMGGRTRSA-N 1 1 384.586 2.932 40 0 GFABMO O=C(C[N@@H+]1CC[C@@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 ZINC000257326557 212025154 /nfs/dbraw/zinc/02/51/54/212025154.db2.gz WXQHLNIHCNSXNR-GFCCVEGCSA-N 1 1 380.370 2.823 40 0 GFABMO O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCC[C@](O)(C[NH+]2CCCC2)CC1 ZINC000257314171 212024039 /nfs/dbraw/zinc/02/40/39/212024039.db2.gz UVPLZFGWBFHUEW-OAQYLSRUSA-N 1 1 386.471 2.669 40 0 GFABMO C[N@H+](CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccc(F)cc1 ZINC000257232117 212007575 /nfs/dbraw/zinc/00/75/75/212007575.db2.gz GJMCIUPZIDWSAY-QMMLZNLJSA-N 1 1 383.467 2.969 40 0 GFABMO C[N@@H+](CC(=O)N1C[C@H]2[C@H](CC[C@@H]2Oc2cccnc2)C1)Cc1ccc(F)cc1 ZINC000257232117 212007581 /nfs/dbraw/zinc/00/75/81/212007581.db2.gz GJMCIUPZIDWSAY-QMMLZNLJSA-N 1 1 383.467 2.969 40 0 GFABMO Cc1ccc(C[N@H+]2CCOC[C@@]3(C[C@H](CNc4ccc(C)nn4)CO3)C2)s1 ZINC000096240542 211322612 /nfs/dbraw/zinc/32/26/12/211322612.db2.gz WTKUHAUXRWMBPI-YLJYHZDGSA-N 1 1 388.537 2.875 40 0 GFABMO CC(C)[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)C1 ZINC000096076236 211298860 /nfs/dbraw/zinc/29/88/60/211298860.db2.gz YWUQAUHYHWUCHU-FQEVSTJZSA-N 1 1 390.915 2.951 40 0 GFABMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3cccs3)C[C@H]12 ZINC000096058468 211297955 /nfs/dbraw/zinc/29/79/55/211297955.db2.gz GGCXBVIXFUQBIV-OALUTQOASA-N 1 1 376.547 2.926 40 0 GFABMO C[N@H+]1CC[C@@]2(C(=O)Nc3ccccc3)CCN(C(=O)c3cccnc3)CC[C@@H]12 ZINC000096145276 211308133 /nfs/dbraw/zinc/30/81/33/211308133.db2.gz SRRPADQKJPTERN-DENIHFKCSA-N 1 1 378.476 2.647 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)C1 ZINC000072374017 211103199 /nfs/dbraw/zinc/10/31/99/211103199.db2.gz ZITRCMCNFHMGGP-GOSISDBHSA-N 1 1 378.480 2.501 40 0 GFABMO O=C(C[N@@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1)N1CCCCC1 ZINC000072383549 211107862 /nfs/dbraw/zinc/10/78/62/211107862.db2.gz NQLYKFNYABEQLE-QGZVFWFLSA-N 1 1 381.480 2.856 40 0 GFABMO O=C(C[N@H+]1CCC[C@@H](c2cncc(Oc3cccnc3)n2)C1)N1CCCCC1 ZINC000072383549 211107867 /nfs/dbraw/zinc/10/78/67/211107867.db2.gz NQLYKFNYABEQLE-QGZVFWFLSA-N 1 1 381.480 2.856 40 0 GFABMO Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CC[NH+](CC(N)=O)CC3)c12 ZINC000072336002 211093958 /nfs/dbraw/zinc/09/39/58/211093958.db2.gz ANWCDAPDOPGBHM-UHFFFAOYSA-N 1 1 385.512 2.882 40 0 GFABMO O=C(c1cc[nH]n1)N1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355192 211099159 /nfs/dbraw/zinc/09/91/59/211099159.db2.gz XWGBNMWZQMJCJL-IBGZPJMESA-N 1 1 375.476 2.622 40 0 GFABMO O=C(c1ccn[nH]1)N1CC[N@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355192 211099163 /nfs/dbraw/zinc/09/91/63/211099163.db2.gz XWGBNMWZQMJCJL-IBGZPJMESA-N 1 1 375.476 2.622 40 0 GFABMO O=C(c1ccn[nH]1)N1CC[N@@H+](Cc2ccccc2)C[C@H](Cc2ccccn2)C1 ZINC000072355192 211099165 /nfs/dbraw/zinc/09/91/65/211099165.db2.gz XWGBNMWZQMJCJL-IBGZPJMESA-N 1 1 375.476 2.622 40 0 GFABMO COc1ccc(CC(=O)N2CCC[C@H](c3cncc(-n4cc[nH+]c4C)n3)C2)cc1 ZINC000072355318 211098494 /nfs/dbraw/zinc/09/84/94/211098494.db2.gz PPVMOGQYCORUNR-SFHVURJKSA-N 1 1 391.475 2.928 40 0 GFABMO CC(C)[C@@H](CNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[NH+]1CCOCC1 ZINC000019662292 210279648 /nfs/dbraw/zinc/27/96/48/210279648.db2.gz QDFMIXLLWFBIQK-OAHLLOKOSA-N 1 1 384.402 2.668 40 0 GFABMO Cc1nccn1C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657946 210276698 /nfs/dbraw/zinc/27/66/98/210276698.db2.gz VTMWOZNBGLERHD-GOSISDBHSA-N 1 1 378.480 2.728 40 0 GFABMO COc1cc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)cc(OC)c1 ZINC000019595084 210275601 /nfs/dbraw/zinc/27/56/01/210275601.db2.gz GGOXEPXUGQRIAV-KRWDZBQOSA-N 1 1 392.459 2.839 40 0 GFABMO C[C@H](C(=O)NC(C)(C)C[N@H+]1CCC[C@@H](C)C1)N1c2ccccc2O[C@H](C)C1=O ZINC000019496528 136202370 /nfs/dbraw/zinc/20/23/70/136202370.db2.gz JXHLWIMWEXMXIB-BRWVUGGUSA-N 1 1 387.524 2.816 40 0 GFABMO CCc1ccc([C@@H]2[C@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)C[NH3+])cc1 ZINC000218502861 553053890 /nfs/dbraw/zinc/05/38/90/553053890.db2.gz KAYIDUZEWTVDAI-MSOLQXFVSA-N 1 1 378.925 2.746 40 0 GFABMO Cn1cc(C[N@H+]2CCN3C(=O)N(Cc4ccccn4)C[C@H]3C2)c2ccccc21 ZINC000096269112 560054105 /nfs/dbraw/zinc/05/41/05/560054105.db2.gz XNBWKVGPFSFXQK-LJQANCHMSA-N 1 1 375.476 2.695 40 0 biogenic,in-vitro GFABMO C[N@@H+](Cc1ccc(OCCF)cc1)C[C@]1(O)CCN(c2ccc(F)cn2)C1 ZINC000585269600 570237386 /nfs/dbraw/zinc/23/73/86/570237386.db2.gz ALXIQMVVPBITKH-HXUWFJFHSA-N 1 1 377.435 2.642 40 0 GFABMO Cc1[nH+]ccn1CC(=O)N1CCC[C@](O)(COc2cc(C)ccc2Cl)CC1 ZINC000585270953 570239591 /nfs/dbraw/zinc/23/95/91/570239591.db2.gz CSXZBHQHYRPYEX-HXUWFJFHSA-N 1 1 391.899 2.976 40 0 GFABMO C[NH+]1CCN(C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)CC1 ZINC000002377039 570299112 /nfs/dbraw/zinc/29/91/12/570299112.db2.gz FFXQZPNQCIUTQO-JOCHJYFZSA-N 1 1 395.528 2.848 40 0 GFABMO Cc1nc(Nc2ccc(F)cc2)sc1C(=O)NCCC[NH+]1CCOCC1 ZINC000022246106 570310479 /nfs/dbraw/zinc/31/04/79/570310479.db2.gz XGICUPLUVYKXSE-UHFFFAOYSA-N 1 1 378.473 2.786 40 0 GFABMO CN1CCN(CC(C)(C)C[N@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1 ZINC000022926491 570336140 /nfs/dbraw/zinc/33/61/40/570336140.db2.gz XAVACSPPZPMQFP-LIMIJEPZSA-N 1 1 389.559 2.914 40 0 GFABMO CN1CCN(CC(C)(C)C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2ccccc2F)C3)CC1 ZINC000022926491 570336141 /nfs/dbraw/zinc/33/61/41/570336141.db2.gz XAVACSPPZPMQFP-LIMIJEPZSA-N 1 1 389.559 2.914 40 0 GFABMO C[C@@H]1C[N@@H+](C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000013301835 570391473 /nfs/dbraw/zinc/39/14/73/570391473.db2.gz MEDVQDWRNABAKE-UMNHJUIQSA-N 1 1 380.229 2.576 40 0 GFABMO C[C@@H]1C[N@H+](C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000013301835 570391475 /nfs/dbraw/zinc/39/14/75/570391475.db2.gz MEDVQDWRNABAKE-UMNHJUIQSA-N 1 1 380.229 2.576 40 0 GFABMO O=C(CN1CCCC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000033883752 570529757 /nfs/dbraw/zinc/52/97/57/570529757.db2.gz VCUMZNDUHRMCHI-UHFFFAOYSA-N 1 1 377.488 2.543 40 0 GFABMO COc1ccc(C[N@@H+](Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)cc1OC ZINC000012187312 570621446 /nfs/dbraw/zinc/62/14/46/570621446.db2.gz FQCOLFWLARKJGW-SFHVURJKSA-N 1 1 386.496 2.741 40 0 GFABMO COc1ccc(C[N@H+](Cc2cnc(N(C)C)nc2)C[C@@H]2CCCO2)cc1OC ZINC000012187312 570621448 /nfs/dbraw/zinc/62/14/48/570621448.db2.gz FQCOLFWLARKJGW-SFHVURJKSA-N 1 1 386.496 2.741 40 0 GFABMO CC[NH+]1CCN([C@@H](c2nnnn2CCc2ccccc2)c2ccccc2F)CC1 ZINC000019528085 570928755 /nfs/dbraw/zinc/92/87/55/570928755.db2.gz OINVIKLRPJPNGQ-OAQYLSRUSA-N 1 1 394.498 2.782 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)cc1 ZINC000585104566 570933701 /nfs/dbraw/zinc/93/37/01/570933701.db2.gz QJIQCHIWWZSYJA-HLAWJBBLSA-N 1 1 386.536 2.709 40 0 GFABMO CC(C)[N@@H+](C)CC(=O)N1CCc2[nH]nc(-c3ccc4c(c3)CCCO4)c2CC1 ZINC000585110344 570939653 /nfs/dbraw/zinc/93/96/53/570939653.db2.gz HSTUIXIRSBJPFR-UHFFFAOYSA-N 1 1 382.508 2.669 40 0 GFABMO CCN1CC[N@@H+](CCC(N)=O)C[C@@H](Cc2ccccc2-c2ccc(C)cc2)C1=O ZINC000585172747 570997676 /nfs/dbraw/zinc/99/76/76/570997676.db2.gz DGSUSZFUKKEHLZ-OAQYLSRUSA-N 1 1 393.531 2.860 40 0 GFABMO COc1cc2c(cc1C[N@H+]1CC[C@@]3(C1)CCc1ccccc1C(=O)N3)OCCO2 ZINC000019550565 210261533 /nfs/dbraw/zinc/26/15/33/210261533.db2.gz NHGLISCFMUQMQT-HSZRJFAPSA-N 1 1 394.471 2.787 40 0 GFABMO CCOc1cc2c(cc1C[N@H+]1C[C@@H]3CC[C@@](O)(c4ccccn4)[C@@H]3C1)OCO2 ZINC000019532511 210258993 /nfs/dbraw/zinc/25/89/93/210258993.db2.gz WXCCUYVVRTVTTH-JIGPKXGUSA-N 1 1 382.460 2.939 40 0 GFABMO CCOc1ccc(CC(=O)N2CCc3nc([C@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019533024 210258947 /nfs/dbraw/zinc/25/89/47/210258947.db2.gz XHUNEXGBMCXAIZ-SFHVURJKSA-N 1 1 394.519 2.812 40 0 GFABMO CCCC[N@@H+](C)CC(=O)Nc1ccc([C@@H]2NC(=O)c3cccnc3N2C)cc1 ZINC000019502221 210254941 /nfs/dbraw/zinc/25/49/41/210254941.db2.gz GJEIKUYNKBYDET-LJQANCHMSA-N 1 1 381.480 2.630 40 0 GFABMO COc1cc(OC)c(OC)cc1C[N@H+]1CCc2nc(C(C)C)[nH]c(=O)c2CC1 ZINC000019453743 210251437 /nfs/dbraw/zinc/25/14/37/210251437.db2.gz XTLKRXMLLMRUMU-UHFFFAOYSA-N 1 1 387.480 2.520 40 0 GFABMO c1nn(-c2ccccc2)cc1CN(CCC[NH+]1CCOCC1)Cc1cccnc1 ZINC000019374513 210245417 /nfs/dbraw/zinc/24/54/17/210245417.db2.gz ZCTNJWBQBCWSSV-UHFFFAOYSA-N 1 1 391.519 2.992 40 0 GFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1c(C)[nH]c2ccc(Cl)cc21 ZINC000019365195 210244713 /nfs/dbraw/zinc/24/47/13/210244713.db2.gz KHSSVTFHEAVQGB-INIZCTEOSA-N 1 1 376.932 2.814 40 0 GFABMO Cn1nccc1-c1nc(NCCC[NH+]2CCOCC2)ncc1-c1ccsc1 ZINC000019289243 210238376 /nfs/dbraw/zinc/23/83/76/210238376.db2.gz MQQHQYGJHUALAS-UHFFFAOYSA-N 1 1 384.509 2.740 40 0 GFABMO COc1cc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(c2nccn2C)C3)c(Cl)cc1O ZINC000019291455 210237240 /nfs/dbraw/zinc/23/72/40/210237240.db2.gz BYXFKNDXERTLFW-FSWDVZBNSA-N 1 1 377.872 2.802 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)(C)C)n[nH]3)ncc2C1 ZINC000019083639 210225028 /nfs/dbraw/zinc/22/50/28/210225028.db2.gz NFOUQJZMVXMVOW-KRWDZBQOSA-N 1 1 382.512 2.853 40 0 GFABMO COc1cccc(C[N@H+]2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)c1 ZINC000019021826 210223781 /nfs/dbraw/zinc/22/37/81/210223781.db2.gz VCNLBHMBZRSNEZ-GOSISDBHSA-N 1 1 393.491 2.566 40 0 GFABMO COc1cccc(C[N@H+]2CCC[C@H](c3ncc4c(n3)CCN(C(C)=O)C4)C2)c1 ZINC000019018403 210221427 /nfs/dbraw/zinc/22/14/27/210221427.db2.gz KYVUJIKHMRNMBX-SFHVURJKSA-N 1 1 380.492 2.769 40 0 GFABMO CC(=O)N(C)C1CCC2(CC1)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1O2 ZINC000019016301 210221120 /nfs/dbraw/zinc/22/11/20/210221120.db2.gz LVWHHLGWVXOMGU-UHFFFAOYSA-N 1 1 382.508 2.974 40 0 GFABMO Cc1cncc(C(=O)N2CC3(C2)C[C@H](COCc2ccccn2)CC[N@@H+]3C)c1 ZINC000306145168 212057150 /nfs/dbraw/zinc/05/71/50/212057150.db2.gz ZZWJSZILGREJOJ-GOSISDBHSA-N 1 1 380.492 2.538 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](C1CCC1)C[C@H]2c1cccnc1 ZINC000306141424 212055285 /nfs/dbraw/zinc/05/52/85/212055285.db2.gz VVQFIAMMUKICLE-FPOVZHCZSA-N 1 1 383.517 2.893 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306126736 212045218 /nfs/dbraw/zinc/04/52/18/212045218.db2.gz FDTMVAHGIMXNTE-CVEARBPZSA-N 1 1 379.489 2.896 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CC[C@@H](NC(=O)Cn2c3ccccc3nc2C(C)C)[C@H]1O ZINC000257298491 212019137 /nfs/dbraw/zinc/01/91/37/212019137.db2.gz RLXKEFJRAYZRBA-YVWKXTFCSA-N 1 1 381.480 2.545 40 0 GFABMO Cc1nc2cc(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4cc[nH+]c4C)[C@@H]3O)ccc2[nH]1 ZINC000257205407 212004304 /nfs/dbraw/zinc/00/43/04/212004304.db2.gz AYWOONRUBRIHRW-KCZVDYSFSA-N 1 1 395.507 2.922 40 0 GFABMO Cc1nc2ccc(CCC(=O)N(C)[C@@H]3CCC[C@@H](n4cc[nH+]c4C)[C@@H]3O)cc2[nH]1 ZINC000257205407 212004306 /nfs/dbraw/zinc/00/43/06/212004306.db2.gz AYWOONRUBRIHRW-KCZVDYSFSA-N 1 1 395.507 2.922 40 0 GFABMO Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CCOCC2)C3)cc1 ZINC000096215453 211319570 /nfs/dbraw/zinc/31/95/70/211319570.db2.gz VFMBDJKUQKPSSF-NRFANRHFSA-N 1 1 392.565 2.898 40 0 GFABMO CCOC(=O)[C@@]12CN(c3ccccn3)C[C@@H]1C[N@@H+](Cc1ccncc1)CCC2 ZINC000096056049 211299415 /nfs/dbraw/zinc/29/94/15/211299415.db2.gz KNKHIZLNYQDTIQ-UGKGYDQZSA-N 1 1 380.492 2.758 40 0 GFABMO CCc1[nH+]ccn1CCC(=O)N1CC=C(n2c(C)nc(=O)c3ccccc32)CC1 ZINC000072348236 211094789 /nfs/dbraw/zinc/09/47/89/211094789.db2.gz VYRDHQCYNRCMOB-UHFFFAOYSA-N 1 1 391.475 2.627 40 0 GFABMO Cc1cccn2cc(C(=O)N[C@@H](CC[NH+]3CCOCC3)c3ccccc3)nc12 ZINC000019718779 210288654 /nfs/dbraw/zinc/28/86/54/210288654.db2.gz KSVNSCQOZVYVLV-IBGZPJMESA-N 1 1 378.476 2.836 40 0 GFABMO CC(C)[N@@H+]1Cc2cn(C)nc2[C@H](C(=O)NCCc2c[nH]c3ccc(F)cc23)C1 ZINC000019695687 210281957 /nfs/dbraw/zinc/28/19/57/210281957.db2.gz PDRRSPVZXUAUHK-GOSISDBHSA-N 1 1 383.471 2.707 40 0 GFABMO CC[N@H+]1CCC[C@@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 ZINC000019655475 210276760 /nfs/dbraw/zinc/27/67/60/210276760.db2.gz SXGSVCQOAWSQSQ-QGZVFWFLSA-N 1 1 392.507 2.748 40 0 GFABMO Fc1ccc(OC[C@@H]2CCC[N@@H+](Cc3ccnc(N4CCOCC4)n3)C2)cc1 ZINC000019657879 210276391 /nfs/dbraw/zinc/27/63/91/210276391.db2.gz CGVCPTCQODELHR-QGZVFWFLSA-N 1 1 386.471 2.743 40 0 GFABMO O=C(CN1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1)NCc1ccccn1 ZINC000019656720 210276374 /nfs/dbraw/zinc/27/63/74/210276374.db2.gz WWZVEBSYTZIRFV-UHFFFAOYSA-N 1 1 395.894 2.722 40 0 GFABMO COc1ccc(Cl)cc1C(=O)N1CC[C@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019590633 210272922 /nfs/dbraw/zinc/27/29/22/210272922.db2.gz ONWWTOFPIBSJMF-ZDUSSCGKSA-N 1 1 386.883 2.756 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)ncc2C1 ZINC000019590503 210272479 /nfs/dbraw/zinc/27/24/79/210272479.db2.gz PFTYEGPISJSKEX-LJQANCHMSA-N 1 1 390.491 2.637 40 0 GFABMO C[N@H+]1CCc2nc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)[nH]c(=O)c2C1 ZINC000019590240 210271742 /nfs/dbraw/zinc/27/17/42/210271742.db2.gz QIPDZSRJIIWDFN-KRWDZBQOSA-N 1 1 380.492 2.509 40 0 GFABMO COc1ccc(Cl)cc1C(=O)N1CC[C@@H](c2ncc3c(n2)CC[N@H+](C)C3)C1 ZINC000019590632 210271834 /nfs/dbraw/zinc/27/18/34/210271834.db2.gz ONWWTOFPIBSJMF-CYBMUJFWSA-N 1 1 386.883 2.756 40 0 GFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2ccc4nccnc4c2)C3)C1 ZINC000012183655 221163083 /nfs/dbraw/zinc/16/30/83/221163083.db2.gz NETYXWGYBBZVDO-HNNXBMFYSA-N 1 1 390.491 2.508 40 0 GFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2ccc4nccnc4c2)C3)C1 ZINC000012183655 221163085 /nfs/dbraw/zinc/16/30/85/221163085.db2.gz NETYXWGYBBZVDO-HNNXBMFYSA-N 1 1 390.491 2.508 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2ccccc2)C(=O)CN3C(C)=O)cc1 ZINC000096050145 136183309 /nfs/dbraw/zinc/18/33/09/136183309.db2.gz PWHPAHJULAFVRP-QHCPKHFHSA-N 1 1 393.487 2.535 40 0 GFABMO CS(=O)(=O)N1CC[C@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@@H]12 ZINC000247502448 553122739 /nfs/dbraw/zinc/12/27/39/553122739.db2.gz FXEJWHSMKKIATG-MOPGFXCFSA-N 1 1 376.547 2.926 40 0 GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@H+](Cc2ccc(OC)cc2)CC[C@@]1(C)O ZINC000514289958 560031091 /nfs/dbraw/zinc/03/10/91/560031091.db2.gz PUNWKPGJKWTEPI-RJGXRXQPSA-N 1 1 398.503 2.524 40 0 biogenic,in-vitro GFABMO COCC(=O)N[C@H]1[C@H](c2ccccc2)[N@@H+](Cc2ccc(OC)cc2)CC[C@@]1(C)O ZINC000514289958 560031093 /nfs/dbraw/zinc/03/10/93/560031093.db2.gz PUNWKPGJKWTEPI-RJGXRXQPSA-N 1 1 398.503 2.524 40 0 biogenic,in-vitro GFABMO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@@H+]3CCc4c([nH]c5cccc(OC)c54)[C@H]3C[C@@H]21 ZINC000005734226 560202847 /nfs/dbraw/zinc/20/28/47/560202847.db2.gz WMMZYEBFJWWUJX-YCSGKXEJSA-N 1 1 384.476 2.656 40 0 biogenic,in-vitro GFABMO COC(=O)[C@@H]1[C@H](O)CC[C@@H]2C[N@H+]3CCc4c([nH]c5cccc(OC)c54)[C@H]3C[C@@H]21 ZINC000005734226 560202849 /nfs/dbraw/zinc/20/28/49/560202849.db2.gz WMMZYEBFJWWUJX-YCSGKXEJSA-N 1 1 384.476 2.656 40 0 biogenic,in-vitro GFABMO OCCNc1nc(N2CCc3cc(Br)ccc3C2)cc(C2CC2)[nH+]1 ZINC000329038638 563470480 /nfs/dbraw/zinc/47/04/80/563470480.db2.gz RTSUETJHEAOKRJ-UHFFFAOYSA-N 1 1 389.297 3.083 40 0 GFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(C)c(C(=O)OC)c1 ZINC000225618519 570594780 /nfs/dbraw/zinc/59/47/80/570594780.db2.gz FCUDICJRXRDPNG-MRXNPFEDSA-N 1 1 382.526 2.715 40 0 GFABMO Cc1c2ccccc2[nH]c1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C)ccc1=O)C2 ZINC000012366076 570647179 /nfs/dbraw/zinc/64/71/79/570647179.db2.gz WWZZKLSNTFSEKT-NHJWOMDBSA-N 1 1 392.503 2.900 40 0 GFABMO COC[C@@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247832748 570716780 /nfs/dbraw/zinc/71/67/80/570716780.db2.gz HYQPSKMQAGNTDK-INIZCTEOSA-N 1 1 375.494 2.737 40 0 GFABMO Cc1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)(Cn1nc(C3CC3)ccc1=O)C2 ZINC000012366332 221185035 /nfs/dbraw/zinc/18/50/35/221185035.db2.gz YQPJHKVPMBSFSE-DETIRCLXSA-N 1 1 379.504 2.987 40 0 GFABMO Cc1ccc(C23C[C@H]4C[C@H](CC(NC(=O)N5CC[NH+](CCO)CC5)(C4)C2)C3)cc1 ZINC000016488814 221363026 /nfs/dbraw/zinc/36/30/26/221363026.db2.gz GNUDEVGDKFGKOL-TUUBTQOTSA-N 1 1 397.563 2.905 40 0 GFABMO Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3c(c(=O)[nH]2)C[N@@H+](C(C)C)CC3)cc1 ZINC000019135313 221398704 /nfs/dbraw/zinc/39/87/04/221398704.db2.gz XLXJUTPZKLCHGO-LJQANCHMSA-N 1 1 380.492 2.822 40 0 GFABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000072345950 222232525 /nfs/dbraw/zinc/23/25/25/222232525.db2.gz ZAMIOBQTWYYTEH-GOSISDBHSA-N 1 1 388.475 2.599 40 0 GFABMO CCOC(=O)Cn1cc(C[N@@H+]2CCc3c(=O)[nH]c(C)nc3C2)c2ccccc21 ZINC000072347442 222235514 /nfs/dbraw/zinc/23/55/14/222235514.db2.gz KUCRDKUKJAXFDY-UHFFFAOYSA-N 1 1 380.448 2.567 40 0 GFABMO CCOC(=O)Cn1cc(C[N@H+]2CCc3c(=O)[nH]c(C)nc3C2)c2ccccc21 ZINC000072347442 222235517 /nfs/dbraw/zinc/23/55/17/222235517.db2.gz KUCRDKUKJAXFDY-UHFFFAOYSA-N 1 1 380.448 2.567 40 0 GFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(C(=O)c1ccco1)CC3 ZINC000096036322 222373309 /nfs/dbraw/zinc/37/33/09/222373309.db2.gz QAOCLJXLSWHOAY-WMZHIEFXSA-N 1 1 399.535 2.856 40 0 GFABMO O=C(COc1ccccc1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096078190 222376414 /nfs/dbraw/zinc/37/64/14/222376414.db2.gz QPJXSZSJTRBLEE-UHFFFAOYSA-N 1 1 395.503 2.602 40 0 GFABMO CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CC[N@@H+](Cc3ccsc3)C[C@H]12 ZINC000096058471 222377229 /nfs/dbraw/zinc/37/72/29/222377229.db2.gz FXEJWHSMKKIATG-RBUKOAKNSA-N 1 1 376.547 2.926 40 0 GFABMO CC[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N(C)C)C1)CCN(C(=O)c1ccccc1)CC3 ZINC000096143875 222387406 /nfs/dbraw/zinc/38/74/06/222387406.db2.gz MJJPSTCUHHEZMC-WMZHIEFXSA-N 1 1 383.536 2.729 40 0 GFABMO CO[C@H](c1ccccc1)[C@@H](O)CN1CC[NH+](C[C@@H](OC)c2ccccc2)CC1 ZINC000022861998 523958020 /nfs/dbraw/zinc/95/80/20/523958020.db2.gz VSTNNAYSCJQCQI-YTFSRNRJSA-N 1 1 384.520 2.740 40 0 in-man GFABMO C[C@@H]1C[C@H](C)C[N@H+](CCNC(=O)c2cccc(I)c2)C1 ZINC000048482611 551157066 /nfs/dbraw/zinc/15/70/66/551157066.db2.gz KBXWDANGSICLBI-BETUJISGSA-N 1 1 386.277 2.999 40 0 GFABMO COC[C@]1([NH3+])[C@H](c2ccc(Br)cc2)[C@@H]1S(=O)(=O)c1ccccc1 ZINC000218220597 553053463 /nfs/dbraw/zinc/05/34/63/553053463.db2.gz ZKJMIFCSCOFZLW-IKGGRYGDSA-N 1 1 396.306 2.733 40 0 GFABMO CCc1ccc([C@H]2[C@@H](S(=O)(=O)c3ccc(Cl)cc3)C2(CN)C[NH3+])cc1 ZINC000218503084 553053733 /nfs/dbraw/zinc/05/37/33/553053733.db2.gz KAYIDUZEWTVDAI-ZWKOTPCHSA-N 1 1 378.925 2.746 40 0 GFABMO COc1ccc2c3c1O[C@@H]1[C@]34CC[N@H+](C)[C@H](C2)[C@]42C=C[C@@]1(OC)[C@H](C(C)(C)O)C2 ZINC000253504633 560037795 /nfs/dbraw/zinc/03/77/95/560037795.db2.gz HXFDWGKUUFPMRG-LQRIDTQKSA-N 1 1 397.515 2.686 40 0 biogenic,in-vitro GFABMO Cn1cc(-c2cnc(-c3ccccc3)nc2)cc1C(=O)N1CCC[N@@H+](C)CC1 ZINC000096147627 570214222 /nfs/dbraw/zinc/21/42/22/570214222.db2.gz SIDRHLREUMZZSS-UHFFFAOYSA-N 1 1 375.476 2.927 40 0 GFABMO Cc1nc([C@H]2CCCC[N@@H+]2Cc2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019751879 570215501 /nfs/dbraw/zinc/21/55/01/570215501.db2.gz OGFLOJRLBSMCBJ-HXUWFJFHSA-N 1 1 380.492 2.985 40 0 GFABMO Cc1nc([C@H]2CCCC[N@H+]2Cc2ccccc2)ncc1C(=O)N1CCOCC1 ZINC000019751879 570215503 /nfs/dbraw/zinc/21/55/03/570215503.db2.gz OGFLOJRLBSMCBJ-HXUWFJFHSA-N 1 1 380.492 2.985 40 0 GFABMO Cc1cccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1C ZINC000096308951 570228895 /nfs/dbraw/zinc/22/88/95/570228895.db2.gz ACYNFWXYPXATDR-OAQYLSRUSA-N 1 1 377.488 2.753 40 0 GFABMO COc1ccc(S(=O)(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1OC ZINC000020458194 570260057 /nfs/dbraw/zinc/26/00/57/570260057.db2.gz SQMZUFONNDTDQQ-UHFFFAOYSA-N 1 1 387.461 2.676 40 0 GFABMO COC(=O)c1cc2cc(NC(=S)NCCC[NH+]3CCOCC3)ccc2s1 ZINC000225214051 570557024 /nfs/dbraw/zinc/55/70/24/570557024.db2.gz WCQAABDXZKRZDR-UHFFFAOYSA-N 1 1 393.534 2.697 40 0 GFABMO COC(=O)C1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000044914566 570642926 /nfs/dbraw/zinc/64/29/26/570642926.db2.gz QYNRKTDUNSZQSK-KRWDZBQOSA-N 1 1 378.900 2.964 40 0 GFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1cccc(N2CCCC2=O)c1 ZINC000047276287 570653622 /nfs/dbraw/zinc/65/36/22/570653622.db2.gz LIIGUASBXGHSEV-UHFFFAOYSA-N 1 1 393.487 2.576 40 0 GFABMO Cc1ncsc1C[N@@H+]1CCC[C@H](c2ccnc3c(C(=O)N(C)C)cnn32)C1 ZINC000257242406 570768345 /nfs/dbraw/zinc/76/83/45/570768345.db2.gz ICIHNJVDWPGWFF-AWEZNQCLSA-N 1 1 384.509 2.576 40 0 GFABMO COc1ccc(OC)c(-c2cc(C(=O)N3CCC[C@]4(C)[NH2+]CCC[C@@H]34)n[nH]2)c1 ZINC000257264664 570772466 /nfs/dbraw/zinc/77/24/66/570772466.db2.gz LVMYCCCHMNEGFJ-CTNGQTDRSA-N 1 1 384.480 2.841 40 0 GFABMO Cc1ncsc1C[N@H+]1CCCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000257296561 570777520 /nfs/dbraw/zinc/77/75/20/570777520.db2.gz RDIMPDZYBJJEOC-OAHLLOKOSA-N 1 1 384.509 2.923 40 0 GFABMO Cc1ncsc1C[N@@H+]1CCCC[C@@H]1c1ccnc2c(C(=O)N(C)C)cnn21 ZINC000257296561 570777523 /nfs/dbraw/zinc/77/75/23/570777523.db2.gz RDIMPDZYBJJEOC-OAHLLOKOSA-N 1 1 384.509 2.923 40 0 GFABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@H+](Cc1ccccc1C)CC2 ZINC000257337228 570784140 /nfs/dbraw/zinc/78/41/40/570784140.db2.gz YRYHOBNNHOPCKJ-SFHVURJKSA-N 1 1 379.508 2.721 40 0 GFABMO CNc1nc([C@H]2CCN(C(C)=O)C2)nc2c1C[N@@H+](Cc1ccccc1C)CC2 ZINC000257337228 570784143 /nfs/dbraw/zinc/78/41/43/570784143.db2.gz YRYHOBNNHOPCKJ-SFHVURJKSA-N 1 1 379.508 2.721 40 0 GFABMO CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000257338138 570784197 /nfs/dbraw/zinc/78/41/97/570784197.db2.gz YWBCSDRHMZPJOK-GUDVDZBRSA-N 1 1 391.899 2.508 40 0 GFABMO C[NH+]1CCN([C@H](c2nnnn2CCc2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019589863 570927897 /nfs/dbraw/zinc/92/78/97/570927897.db2.gz CAUZJECYGWOBLA-FQEVSTJZSA-N 1 1 396.926 2.906 40 0 GFABMO Cc1cccc(C(=O)N2CCC3(CO[C@@H](C[N@@H+]4CC[C@@H](C)[C@H](O)C4)C3)CC2)c1 ZINC000585103673 570929195 /nfs/dbraw/zinc/92/91/95/570929195.db2.gz IAJKDPGQRAJEKT-HMXCVIKNSA-N 1 1 386.536 2.709 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585104875 570934264 /nfs/dbraw/zinc/93/42/64/570934264.db2.gz VCVTZHWHZILEPY-PMACEKPBSA-N 1 1 386.536 2.717 40 0 GFABMO CCC[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cc(C)c(C)o2)CC1 ZINC000585106291 570936413 /nfs/dbraw/zinc/93/64/13/570936413.db2.gz ONZIJHTWSALWFT-NXHRZFHOSA-N 1 1 387.524 2.738 40 0 GFABMO COCCN1CC[C@@]2(C[N@@H+](Cc3ccco3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306129920 570938737 /nfs/dbraw/zinc/93/87/37/570938737.db2.gz IQQLTRAKSMRJIT-NQIIRXRSSA-N 1 1 386.496 2.522 40 0 GFABMO CC(C)N1C[C@]2(CC[N@H+](Cc3ccco3)C2)Oc2ccccc2S1(=O)=O ZINC000306134537 570941466 /nfs/dbraw/zinc/94/14/66/570941466.db2.gz NQOWHFLIKUGEQQ-LJQANCHMSA-N 1 1 376.478 2.716 40 0 GFABMO CC(C)N1C[C@]2(CC[N@@H+](Cc3ccco3)C2)Oc2ccccc2S1(=O)=O ZINC000306134537 570941468 /nfs/dbraw/zinc/94/14/68/570941468.db2.gz NQOWHFLIKUGEQQ-LJQANCHMSA-N 1 1 376.478 2.716 40 0 GFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccsc3)C[C@@H]1C2 ZINC000306136302 570942914 /nfs/dbraw/zinc/94/29/14/570942914.db2.gz PPHRVOQDFNNJEP-ROUUACIJSA-N 1 1 393.516 2.574 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@@H]1C[N@H+](CCc3ccccc3)C[C@H]1C2 ZINC000306138052 570943133 /nfs/dbraw/zinc/94/31/33/570943133.db2.gz RNUSJYDWUFQHLY-MOPGFXCFSA-N 1 1 387.487 2.877 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@@]12C[N@@H+](CC1CC1)C[C@H]2c1cccnc1 ZINC000306140245 570944858 /nfs/dbraw/zinc/94/48/58/570944858.db2.gz UNVDHILINJPFTH-PZJWPPBQSA-N 1 1 383.517 2.750 40 0 GFABMO COCCN1CC[C@]2(C[N@@H+](Cc3ccoc3)C[C@@H]2c2cn(C(C)C)cn2)C1=O ZINC000306140954 570944861 /nfs/dbraw/zinc/94/48/61/570944861.db2.gz VHMMBLHRYJUDKO-WIYYLYMNSA-N 1 1 386.496 2.522 40 0 GFABMO O=C(NC1CCCCC1)c1cn2c(nc1=O)[C@@H]1C[N@H+](Cc3ccsc3)C[C@H]1C2 ZINC000306144178 570946348 /nfs/dbraw/zinc/94/63/48/570946348.db2.gz YYCRLPCVRVYQQC-DOTOQJQBSA-N 1 1 398.532 2.597 40 0 GFABMO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[N@H+](Cc3cccc(C)n3)CC1)CO2 ZINC000019236267 570966249 /nfs/dbraw/zinc/96/62/49/570966249.db2.gz HLWORPPGWRNJNC-LJQANCHMSA-N 1 1 395.503 2.684 40 0 GFABMO COc1ccc2c(c1)C[C@@H](C(=O)N1CCC[N@@H+](Cc3cccc(C)n3)CC1)CO2 ZINC000019236267 570966254 /nfs/dbraw/zinc/96/62/54/570966254.db2.gz HLWORPPGWRNJNC-LJQANCHMSA-N 1 1 395.503 2.684 40 0 GFABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)CCn3ncc4c3CCCC4)CC2)n1 ZINC000019236270 570966529 /nfs/dbraw/zinc/96/65/29/570966529.db2.gz AOKQBMFCSDXZKH-UHFFFAOYSA-N 1 1 381.524 2.590 40 0 GFABMO Cc1cccc(C[N@H+]2CCCN(C(=O)CCn3ncc4c3CCCC4)CC2)n1 ZINC000019236270 570966530 /nfs/dbraw/zinc/96/65/30/570966530.db2.gz AOKQBMFCSDXZKH-UHFFFAOYSA-N 1 1 381.524 2.590 40 0 GFABMO Cc1[nH+]ccn1CC1(O)CCN(C(=O)CCCOc2cccc(F)c2)CC1 ZINC000019287844 570970504 /nfs/dbraw/zinc/97/05/04/570970504.db2.gz LOEOASPXHGGMPK-UHFFFAOYSA-N 1 1 375.444 2.543 40 0 GFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCC[N@H+]3Cc3cnn(C)c3)c2)cn1 ZINC000019690994 571029301 /nfs/dbraw/zinc/02/93/01/571029301.db2.gz XSHZAHQTOZGEJO-OAQYLSRUSA-N 1 1 390.491 2.882 40 0 GFABMO Cn1nc([C@H]2CCCN(C(=O)CCn3cnc4ccccc43)C2)cc1C[NH+](C)C ZINC000019709044 571033655 /nfs/dbraw/zinc/03/36/55/571033655.db2.gz KKTYGVXDZLNOSU-KRWDZBQOSA-N 1 1 394.523 2.628 40 0 GFABMO COc1cc(C[N@@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc2c1OCO2 ZINC000012122146 221154540 /nfs/dbraw/zinc/15/45/40/221154540.db2.gz HIGXRXTZTANNGA-UHFFFAOYSA-N 1 1 392.415 2.540 40 0 GFABMO COc1cc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc2c1OCO2 ZINC000012122146 221154542 /nfs/dbraw/zinc/15/45/42/221154542.db2.gz HIGXRXTZTANNGA-UHFFFAOYSA-N 1 1 392.415 2.540 40 0 GFABMO CS(=O)(=O)N1CCc2cc(C(=O)C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012326817 221183068 /nfs/dbraw/zinc/18/30/68/221183068.db2.gz DKQDALSLAVGQMU-MAUKXSAKSA-N 1 1 376.522 2.704 40 0 GFABMO Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)(Cn2nc(C4CC4)ccc2=O)C3)c1 ZINC000012366330 221185189 /nfs/dbraw/zinc/18/51/89/221185189.db2.gz XDXMEFXISZGGRX-DETIRCLXSA-N 1 1 379.504 2.987 40 0 GFABMO COc1ccc(C[N@@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1OC ZINC000012185076 221163428 /nfs/dbraw/zinc/16/34/28/221163428.db2.gz ZMFUOQSXQLFVEZ-UHFFFAOYSA-N 1 1 398.507 2.582 40 0 GFABMO COc1ccc(C[N@H+]2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cc1OC ZINC000012185076 221163431 /nfs/dbraw/zinc/16/34/31/221163431.db2.gz ZMFUOQSXQLFVEZ-UHFFFAOYSA-N 1 1 398.507 2.582 40 0 GFABMO C[N@@H+](CCO)Cc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O ZINC000012186491 221164300 /nfs/dbraw/zinc/16/43/00/221164300.db2.gz HBBXPGROAJQROC-UHFFFAOYSA-N 1 1 392.434 2.944 40 0 GFABMO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@@H]4CC(=O)N(C)C4)CC3)cc2c1C ZINC000012188138 221165428 /nfs/dbraw/zinc/16/54/28/221165428.db2.gz VGTSHYIGOJPVHS-GOSISDBHSA-N 1 1 395.503 2.779 40 0 GFABMO Cc1c(C[N@H+]2C[C@H](c3ccccc3)C3(C2)CCCCC3)c(=O)n(C)c(=O)n1C ZINC000012228087 221170301 /nfs/dbraw/zinc/17/03/01/221170301.db2.gz FMTZDHHVGVTVMX-HXUWFJFHSA-N 1 1 381.520 2.942 40 0 GFABMO CCOC(=O)[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000014607432 221313109 /nfs/dbraw/zinc/31/31/09/221313109.db2.gz YIEFTPDPRPLHBN-VQIMIIECSA-N 1 1 380.444 2.747 40 0 GFABMO CCOC(=O)[C@@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C1 ZINC000014607432 221313111 /nfs/dbraw/zinc/31/31/11/221313111.db2.gz YIEFTPDPRPLHBN-VQIMIIECSA-N 1 1 380.444 2.747 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(N4CCC[C@H](C)C4)[nH]c(=O)c3C2)cc1 ZINC000072389574 136169131 /nfs/dbraw/zinc/16/91/31/136169131.db2.gz LKVLJUUEFGGIMM-HNNXBMFYSA-N 1 1 395.507 2.523 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3C2)cc1 ZINC000072339810 222230793 /nfs/dbraw/zinc/23/07/93/222230793.db2.gz GRLLADXIVIYLMG-UHFFFAOYSA-N 1 1 375.432 2.761 40 0 GFABMO COC[C@@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3cccc(C)n3)cn2)CC1 ZINC000072374273 222242653 /nfs/dbraw/zinc/24/26/53/222242653.db2.gz DXJQJNIBXVNVAJ-QGZVFWFLSA-N 1 1 397.523 2.859 40 0 GFABMO Cc1noc(C)c1C(=O)N1CCC2(C[C@@H]([N@@H+](C)Cc3cccnc3)CO2)CC1 ZINC000096220885 222397993 /nfs/dbraw/zinc/39/79/93/222397993.db2.gz BBMNTVDYPGICQV-GOSISDBHSA-N 1 1 384.480 2.582 40 0 GFABMO O=C(c1cccs1)N1CCC(C(=O)N2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020612609 534759540 /nfs/dbraw/zinc/75/95/40/534759540.db2.gz DKRLKTDPEQCDPB-UHFFFAOYSA-N 1 1 397.544 2.945 40 0 GFABMO O=C(CC[NH+]1CCOCC1)NCCc1nc(-c2ccc(Cl)cc2)cs1 ZINC000019336889 551114603 /nfs/dbraw/zinc/11/46/03/551114603.db2.gz SHZPJWLPOAMEEH-UHFFFAOYSA-N 1 1 379.913 2.845 40 0 GFABMO CC1=C[C@@H](CNC(=O)NC(C)C)[C@H](C(C)C)C[C@H]1CC(=O)N1CC[NH+](C)CC1 ZINC000030880771 560089888 /nfs/dbraw/zinc/08/98/88/560089888.db2.gz LZILUPAEBYWYLC-UFYCRDLUSA-N 1 1 392.588 2.713 40 0 biogenic,in-vitro GFABMO O=C(c1ccc(F)cc1)N1CCC2(CC1)COCC[N@@H+](Cc1cccnc1)C2 ZINC000096239888 570222048 /nfs/dbraw/zinc/22/20/48/570222048.db2.gz QETWYIZJEABVOR-UHFFFAOYSA-N 1 1 383.467 2.976 40 0 GFABMO O=C(NCC1CC1)c1ccc2ccc(N3CC[NH+](Cc4cccnc4)CC3)n2c1 ZINC000096267364 570227264 /nfs/dbraw/zinc/22/72/64/570227264.db2.gz VEVKDELGNIMOMI-UHFFFAOYSA-N 1 1 389.503 2.796 40 0 GFABMO COc1ccc(C[N@@H+](C)[C@@H]2CN(Cc3ccc(OCCF)cc3)C[C@H]2O)cc1 ZINC000585269636 570237348 /nfs/dbraw/zinc/23/73/48/570237348.db2.gz FCDINDUPUVRUCJ-FGZHOGPDSA-N 1 1 388.483 2.721 40 0 GFABMO COc1ccc(CN(C)[C@@H]2C[N@H+](Cc3ccc(OCCF)cc3)C[C@H]2O)cc1 ZINC000585269636 570237351 /nfs/dbraw/zinc/23/73/51/570237351.db2.gz FCDINDUPUVRUCJ-FGZHOGPDSA-N 1 1 388.483 2.721 40 0 GFABMO COc1ccc(CN(C)[C@@H]2C[N@@H+](Cc3ccc(OCCF)cc3)C[C@H]2O)cc1 ZINC000585269636 570237356 /nfs/dbraw/zinc/23/73/56/570237356.db2.gz FCDINDUPUVRUCJ-FGZHOGPDSA-N 1 1 388.483 2.721 40 0 GFABMO COc1cc(OC)cc(OCC(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000022524682 570320179 /nfs/dbraw/zinc/32/01/79/570320179.db2.gz DMVMGIQHMAATRS-UHFFFAOYSA-N 1 1 381.432 2.893 40 0 GFABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1Cc1nnnn1Cc1cccs1 ZINC000022914339 570334577 /nfs/dbraw/zinc/33/45/77/570334577.db2.gz SWIZWLOJNHMDSJ-GOSISDBHSA-N 1 1 386.525 2.718 40 0 GFABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1Cc1nnnn1Cc1cccs1 ZINC000022914339 570334581 /nfs/dbraw/zinc/33/45/81/570334581.db2.gz SWIZWLOJNHMDSJ-GOSISDBHSA-N 1 1 386.525 2.718 40 0 GFABMO O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029882012 570482054 /nfs/dbraw/zinc/48/20/54/570482054.db2.gz PSABHHNBPSPDJO-SOFGYWHQSA-N 1 1 380.444 2.577 40 0 GFABMO O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224564465 570518447 /nfs/dbraw/zinc/51/84/47/570518447.db2.gz KGVQZYISQHMKBB-UHFFFAOYSA-N 1 1 394.924 2.792 40 0 GFABMO COc1cccc(O[C@H](C)C(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000224571788 570518604 /nfs/dbraw/zinc/51/86/04/570518604.db2.gz YPDBJWJOEICICK-QGZVFWFLSA-N 1 1 384.476 2.611 40 0 GFABMO Cc1c(C(=O)N2CCCC[C@@H]3[N@@H+](C)CCC[C@@]32C)sc2ncn(C)c(=O)c12 ZINC000257271209 570773623 /nfs/dbraw/zinc/77/36/23/570773623.db2.gz MXIBMHGZEWACHM-XOBRGWDASA-N 1 1 388.537 2.782 40 0 GFABMO Cc1nccn1[C@@H]1CC[C@@H](NC(=O)CCc2nc3ccc(Cl)cc3[nH]2)[C@H]1O ZINC000257287113 570775878 /nfs/dbraw/zinc/77/58/78/570775878.db2.gz POOUFMCOARPNKA-IDHHARJASA-N 1 1 387.871 2.535 40 0 GFABMO CCn1c2ccc(C[N@H+]3CC[C@H]4[C@H]3CCCCC(=O)N4C)cc2n(CC)c1=O ZINC000257303810 570778620 /nfs/dbraw/zinc/77/86/20/570778620.db2.gz SIUSYGKXCLBJBD-ZWKOTPCHSA-N 1 1 384.524 2.818 40 0 GFABMO O=C(C[N@@H+]1CC[C@H](c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)NC1CC1 ZINC000257326558 570782034 /nfs/dbraw/zinc/78/20/34/570782034.db2.gz WXQHLNIHCNSXNR-LBPRGKRZSA-N 1 1 380.370 2.823 40 0 GFABMO CC[N@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000119910595 570924719 /nfs/dbraw/zinc/92/47/19/570924719.db2.gz OBOKAMDNZPWDRN-NSHDSACASA-N 1 1 377.794 2.898 40 0 GFABMO CC(C)C[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019446846 570925753 /nfs/dbraw/zinc/92/57/53/570925753.db2.gz AHWULOJENQKRJC-SFTDATJTSA-N 1 1 398.555 2.757 40 0 GFABMO COc1ncccc1C[N@H+]1C[C@@H](c2ccnn2C(C)C)[C@]2(C1)CCCN(C)C2=O ZINC000306124094 570935665 /nfs/dbraw/zinc/93/56/65/570935665.db2.gz BFZDMBJOFHGQCF-PGRDOPGGSA-N 1 1 397.523 2.706 40 0 GFABMO O=C(c1ccc(F)cc1)N1CCC2(CC1)NC(=O)[C@@H]1C[N@@H+](CC3CCCC3)C[C@@H]12 ZINC000585106043 570935762 /nfs/dbraw/zinc/93/57/62/570935762.db2.gz HECDLDPPMAFIQK-UXHICEINSA-N 1 1 399.510 2.669 40 0 GFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3)C[C@H]1C2 ZINC000306123748 570935773 /nfs/dbraw/zinc/93/57/73/570935773.db2.gz AVNCADMABUBCKL-WOJBJXKFSA-N 1 1 387.487 2.512 40 0 GFABMO Cn1ccnc1C[N@@H+]1C[C@H]2c3ccccc3[C@@H](NC(=O)CC3CCOCC3)[C@H]2C1 ZINC000585109846 570938565 /nfs/dbraw/zinc/93/85/65/570938565.db2.gz ZYWISZCIOCJIFV-SXWKCWPCSA-N 1 1 394.519 2.623 40 0 GFABMO COc1cccc(C[N@@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@H]32)c1 ZINC000585107957 570939609 /nfs/dbraw/zinc/93/96/09/570939609.db2.gz LXUYZONAOVRDRA-UYAOXDASSA-N 1 1 386.517 2.899 40 0 GFABMO COc1cccc(C[N@H+]2C[C@@H]3CN(S(=O)(=O)c4ccccc4C)CC[C@H]32)c1 ZINC000585107957 570939614 /nfs/dbraw/zinc/93/96/14/570939614.db2.gz LXUYZONAOVRDRA-UYAOXDASSA-N 1 1 386.517 2.899 40 0 GFABMO C[N@H+](Cc1cccnc1)C[C@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 ZINC000306132128 570940296 /nfs/dbraw/zinc/94/02/96/570940296.db2.gz KZPQLDUQCZQPLZ-MRXNPFEDSA-N 1 1 379.451 2.566 40 0 GFABMO COCC(=O)N[C@H]1CCCC[C@@]12C[N@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137217 570943036 /nfs/dbraw/zinc/94/30/36/570943036.db2.gz QPIMXOQZBNOCAC-AZUAARDMSA-N 1 1 378.538 2.685 40 0 GFABMO COCC(=O)N[C@H]1CCCC[C@@]12C[N@@H+](Cc1ccc(SC)cc1)CCO2 ZINC000306137217 570943040 /nfs/dbraw/zinc/94/30/40/570943040.db2.gz QPIMXOQZBNOCAC-AZUAARDMSA-N 1 1 378.538 2.685 40 0 GFABMO Cc1ccsc1C[N@H+]1CCc2nc([C@H]3CCCN3C(=O)C3CC3)[nH]c(=O)c2C1 ZINC000019238657 570967960 /nfs/dbraw/zinc/96/79/60/570967960.db2.gz OYEFYPUJKICBII-QGZVFWFLSA-N 1 1 398.532 2.772 40 0 GFABMO COCc1ccc(C[NH+]2CCN(c3ccccc3[C@@H](O)c3nccn3C)CC2)o1 ZINC000019291343 570971974 /nfs/dbraw/zinc/97/19/74/570971974.db2.gz GNVPQGISOHOAQN-OAQYLSRUSA-N 1 1 396.491 2.563 40 0 GFABMO c1csc(-c2n[nH]cc2C[N@@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338640 570976449 /nfs/dbraw/zinc/97/64/49/570976449.db2.gz RODMOLCCEJOEJO-UHFFFAOYSA-N 1 1 383.521 2.868 40 0 GFABMO c1csc(-c2n[nH]cc2C[N@H+](CCN2CCOCC2)Cc2cccnc2)c1 ZINC000019338640 570976452 /nfs/dbraw/zinc/97/64/52/570976452.db2.gz RODMOLCCEJOEJO-UHFFFAOYSA-N 1 1 383.521 2.868 40 0 GFABMO O=c1[nH]c(-c2ccccn2)nc2c1C[N@@H+](Cc1ccccc1N1CCCC1)CC2 ZINC000019349319 570978870 /nfs/dbraw/zinc/97/88/70/570978870.db2.gz HTOWYPFMKXFOGN-UHFFFAOYSA-N 1 1 387.487 2.990 40 0 GFABMO CC[C@@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1sc(C)nc1-c1ccccc1 ZINC000019371597 570981021 /nfs/dbraw/zinc/98/10/21/570981021.db2.gz MVCGPTKTIMCOBS-SFHVURJKSA-N 1 1 386.565 2.803 40 0 GFABMO c1[nH]nc(-c2ccccc2)c1C[N@@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019373957 570981631 /nfs/dbraw/zinc/98/16/31/570981631.db2.gz KPJAFWNVBHPPDL-UHFFFAOYSA-N 1 1 377.492 2.806 40 0 GFABMO c1[nH]nc(-c2ccccc2)c1C[N@H+](CCN1CCOCC1)Cc1cccnc1 ZINC000019373957 570981632 /nfs/dbraw/zinc/98/16/32/570981632.db2.gz KPJAFWNVBHPPDL-UHFFFAOYSA-N 1 1 377.492 2.806 40 0 GFABMO CC(C)[N@H+]1CCc2nc([C@H]3CCCN3C(=O)Cc3ccccc3F)[nH]c(=O)c2C1 ZINC000019448279 570984412 /nfs/dbraw/zinc/98/44/12/570984412.db2.gz PJRTXSDZABUZAG-LJQANCHMSA-N 1 1 398.482 2.582 40 0 GFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@H+](Cc2cccc4nccnc24)C3)C1 ZINC000019496601 570989516 /nfs/dbraw/zinc/98/95/16/570989516.db2.gz UTKPHQWKMYNEHC-HNNXBMFYSA-N 1 1 390.491 2.508 40 0 GFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)CC[N@@H+](Cc2cccc4nccnc24)C3)C1 ZINC000019496601 570989517 /nfs/dbraw/zinc/98/95/17/570989517.db2.gz UTKPHQWKMYNEHC-HNNXBMFYSA-N 1 1 390.491 2.508 40 0 GFABMO C[C@@H]1CCc2onc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)c2C1 ZINC000019497119 570989804 /nfs/dbraw/zinc/98/98/04/570989804.db2.gz WTRUZKVVUMXTPP-HUUCEWRRSA-N 1 1 395.507 2.597 40 0 GFABMO COc1cccc(N2CC[NH+](C[C@@H](O)c3ccc4c(c3)OCCCO4)CC2)c1 ZINC000019565855 571007529 /nfs/dbraw/zinc/00/75/29/571007529.db2.gz SJVSYWYHKHNUSQ-HXUWFJFHSA-N 1 1 384.476 2.712 40 0 GFABMO Cc1cc(C)n([C@@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)n1 ZINC000019572951 571010488 /nfs/dbraw/zinc/01/04/88/571010488.db2.gz RAUMBXGHZARRDO-ZWKOTPCHSA-N 1 1 396.539 2.635 40 0 GFABMO COc1ccc(CN2CCC[C@@H](c3cc(=O)nc4n3CCC4)C2)cc1C[NH+](C)C ZINC000019583402 571014168 /nfs/dbraw/zinc/01/41/68/571014168.db2.gz CCMXXNQSHNQRIP-GOSISDBHSA-N 1 1 396.535 2.639 40 0 GFABMO CN(C)c1ccc(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)cc1 ZINC000019590444 571017994 /nfs/dbraw/zinc/01/79/94/571017994.db2.gz PNIGIWVIUSZDFU-QGZVFWFLSA-N 1 1 379.508 2.550 40 0 GFABMO COc1ccc([C@H]([NH3+])c2nc(-c3ccc(Br)o3)n[nH]2)cc1OC ZINC000095533896 655029887 /nfs/dbraw/zinc/02/98/87/655029887.db2.gz ULSAODZKPMHVBU-ZDUSSCGKSA-N 1 1 379.214 2.893 40 0 GFABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000026780364 212108383 /nfs/dbraw/zinc/10/83/83/212108383.db2.gz OZCGWCFJTCQSRV-HXUWFJFHSA-N 1 1 392.584 2.750 40 0 GFABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000026780364 212108385 /nfs/dbraw/zinc/10/83/85/212108385.db2.gz OZCGWCFJTCQSRV-HXUWFJFHSA-N 1 1 392.584 2.750 40 0 GFABMO C[C@H]1CCCN(c2nc3c(c(=O)[nH]2)C[N@@H+](Cc2ccc4nccnc4c2)CC3)C1 ZINC000012145355 221159191 /nfs/dbraw/zinc/15/91/91/221159191.db2.gz ZCJFXEZUKGVVIS-HNNXBMFYSA-N 1 1 390.491 2.508 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@@H](c3nn(CCNC(C)=O)c4ncccc34)C2)cc1 ZINC000019021808 221394746 /nfs/dbraw/zinc/39/47/46/221394746.db2.gz PDGYQJLCGXUTSE-GOSISDBHSA-N 1 1 393.491 2.566 40 0 GFABMO Cc1nn(C)cc1C[N@@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000072339388 222230693 /nfs/dbraw/zinc/23/06/93/222230693.db2.gz CUTCNKFEFLDFTD-UHFFFAOYSA-N 1 1 378.436 2.604 40 0 GFABMO Cc1nn(C)cc1C[N@H+]1CCc2c([nH]c3cc(-c4ccoc4C)nn3c2=O)C1 ZINC000072339388 222230695 /nfs/dbraw/zinc/23/06/95/222230695.db2.gz CUTCNKFEFLDFTD-UHFFFAOYSA-N 1 1 378.436 2.604 40 0 GFABMO CCOCc1ccc(C(=O)N2CCCC[C@H]2c2nnc3n2CC[N@H+](C)C3)cc1 ZINC000072373989 222241949 /nfs/dbraw/zinc/24/19/49/222241949.db2.gz QBOFZIOUJFRCHM-SFHVURJKSA-N 1 1 383.496 2.627 40 0 GFABMO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)C1 ZINC000072372129 222242026 /nfs/dbraw/zinc/24/20/26/222242026.db2.gz IVWOFVJHEDGPLP-GOSISDBHSA-N 1 1 390.491 2.568 40 0 GFABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)n2CC1 ZINC000072370945 222243467 /nfs/dbraw/zinc/24/34/67/222243467.db2.gz NLGNGJCSZHVKDC-MRXNPFEDSA-N 1 1 399.514 2.589 40 0 GFABMO CNc1cc(Nc2nccc([C@H]3CCC[N@@H+](Cc4cccnc4)C3)n2)ncn1 ZINC000072377642 222244199 /nfs/dbraw/zinc/24/41/99/222244199.db2.gz KJINJSACFMMLRY-INIZCTEOSA-N 1 1 376.468 2.827 40 0 GFABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(c4ncnc5nc[nH]c54)C[C@H]32)c1 ZINC000072399191 222253543 /nfs/dbraw/zinc/25/35/43/222253543.db2.gz SJFLLASDBHRGOA-FUHWJXTLSA-N 1 1 378.480 2.852 40 0 GFABMO COc1cccc(C[N@@H+]2CCCC[C@H]3CN(c4ncnc5[nH]cnc54)C[C@H]32)c1 ZINC000072399191 222253546 /nfs/dbraw/zinc/25/35/46/222253546.db2.gz SJFLLASDBHRGOA-FUHWJXTLSA-N 1 1 378.480 2.852 40 0 GFABMO COc1cccc(C[N@H+]2CCCC[C@H]3CN(c4ncnc5[nH]cnc54)C[C@H]32)c1 ZINC000072399191 222253548 /nfs/dbraw/zinc/25/35/48/222253548.db2.gz SJFLLASDBHRGOA-FUHWJXTLSA-N 1 1 378.480 2.852 40 0 GFABMO COCCc1ncc(C[N@@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cn1 ZINC000019752580 570215897 /nfs/dbraw/zinc/21/58/97/570215897.db2.gz PTYCEYQBBHCFIT-GOSISDBHSA-N 1 1 396.539 2.526 40 0 GFABMO COCCc1ncc(C[N@H+]2CCC[C@@H](c3nc(C)c4c(n3)N(C)CCC4)C2)cn1 ZINC000019752580 570215898 /nfs/dbraw/zinc/21/58/98/570215898.db2.gz PTYCEYQBBHCFIT-GOSISDBHSA-N 1 1 396.539 2.526 40 0 GFABMO COc1ccc(C[N@H+]2CC[C@]3(C2)COCc2cnc(NCC4CC4)nc23)cc1 ZINC000096244071 570223817 /nfs/dbraw/zinc/22/38/17/570223817.db2.gz XVVYLVXFSBIPGI-QFIPXVFZSA-N 1 1 380.492 2.981 40 0 GFABMO CN(C)C(=O)c1cc2c(nc1NCC1CC1)CC[N@@H+](Cc1ccccn1)CC2 ZINC000096260571 570225749 /nfs/dbraw/zinc/22/57/49/570225749.db2.gz YGRRCZPODCEAKN-UHFFFAOYSA-N 1 1 379.508 2.601 40 0 GFABMO CC(=O)N1CC[C@@H]2[C@H]1CCCC[N@H+]2CC1(O)CCN(c2ccccc2C)CC1 ZINC000585282536 570250384 /nfs/dbraw/zinc/25/03/84/570250384.db2.gz FZSNYCIGLJMQTC-FGZHOGPDSA-N 1 1 385.552 2.802 40 0 GFABMO Cc1cc(OC[C@]2(O)COCC[N@@H+](CC3(O)CCCCCC3)C2)ccc1F ZINC000585282708 570250935 /nfs/dbraw/zinc/25/09/35/570250935.db2.gz NBABSQRTGNPWJB-OAQYLSRUSA-N 1 1 381.488 2.662 40 0 GFABMO C[NH+]1CCN(N2CN(CCc3cccs3)Cn3c4ccccc4nc32)CC1 ZINC000020637258 570273816 /nfs/dbraw/zinc/27/38/16/570273816.db2.gz WNDXTCTUZAKYNB-UHFFFAOYSA-N 1 1 382.537 2.540 40 0 GFABMO O=C(C[N@@H+]1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccco1)C2)NCc1ccc(F)cc1 ZINC000004908212 570416921 /nfs/dbraw/zinc/41/69/21/570416921.db2.gz CESDEEBXCSJADE-YQQQUEKLSA-N 1 1 399.466 2.850 40 0 GFABMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccc(C)c(NS(C)(=O)=O)c2)cc1 ZINC000044903858 570641216 /nfs/dbraw/zinc/64/12/16/570641216.db2.gz WLUZKYMLFZWEGC-UHFFFAOYSA-N 1 1 398.488 2.791 40 0 GFABMO O=C(C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1 ZINC000004908305 570647811 /nfs/dbraw/zinc/64/78/11/570647811.db2.gz ZBEBKRXCLBJXTN-AYHJJNSGSA-N 1 1 382.464 2.713 40 0 GFABMO O=C(C[N@@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2)NCc1ccco1 ZINC000004908305 570647813 /nfs/dbraw/zinc/64/78/13/570647813.db2.gz ZBEBKRXCLBJXTN-AYHJJNSGSA-N 1 1 382.464 2.713 40 0 GFABMO O=C(NCc1cccc(C[NH+]2CCOCC2)c1)c1ccc(N2CCCC2=O)cc1 ZINC000047227889 570653731 /nfs/dbraw/zinc/65/37/31/570653731.db2.gz KPJAYVGEORKIQF-UHFFFAOYSA-N 1 1 393.487 2.576 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2cnccn2)C1 ZINC000257255395 570771062 /nfs/dbraw/zinc/77/10/62/570771062.db2.gz KHHLCJRPVUWREB-INIZCTEOSA-N 1 1 393.495 2.984 40 0 GFABMO CCc1[nH+]ccn1CC(=O)N1CCC2(C[C@H](N(C)c3ccccc3)CO2)CC1 ZINC000257276812 570774330 /nfs/dbraw/zinc/77/43/30/570774330.db2.gz NVFQSNCWWXFRLV-IBGZPJMESA-N 1 1 382.508 2.732 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)C)n[nH]2)CC1 ZINC000257299464 570778161 /nfs/dbraw/zinc/77/81/61/570778161.db2.gz RQDTXIHHSJWHAE-JOCHJYFZSA-N 1 1 399.539 2.807 40 0 GFABMO CC[N@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000257299464 570778162 /nfs/dbraw/zinc/77/81/62/570778162.db2.gz RQDTXIHHSJWHAE-JOCHJYFZSA-N 1 1 399.539 2.807 40 0 GFABMO CC[N@@H+](Cc1ccncc1)C[C@@]1(O)CCCN(C(=O)c2cc(C(C)C)[nH]n2)CC1 ZINC000257299464 570778163 /nfs/dbraw/zinc/77/81/63/570778163.db2.gz RQDTXIHHSJWHAE-JOCHJYFZSA-N 1 1 399.539 2.807 40 0 GFABMO CNC(=O)c1sc2nc([C@@H]3CCCC[N@@H+]3Cc3cnccn3)ccc2c1N ZINC000257317200 570780894 /nfs/dbraw/zinc/78/08/94/570780894.db2.gz VITCKBABCCVFOG-HNNXBMFYSA-N 1 1 382.493 2.755 40 0 GFABMO CNC(=O)c1sc2nc([C@@H]3CCCC[N@H+]3Cc3cnccn3)ccc2c1N ZINC000257317200 570780897 /nfs/dbraw/zinc/78/08/97/570780897.db2.gz VITCKBABCCVFOG-HNNXBMFYSA-N 1 1 382.493 2.755 40 0 GFABMO CN1c2ccccc2[C@@]2(N=C(N(c3ccccc3)c3ccccc3)NC(=[NH2+])N2)C1=O ZINC000017081009 570919034 /nfs/dbraw/zinc/91/90/34/570919034.db2.gz PZDWJYKZVVGZAX-HSZRJFAPSA-N 1 1 396.454 2.928 40 0 GFABMO COCC[N@@H+](C[C@H]1CC2(CO1)CCN(C(=O)c1ccc(O)cc1)CC2)C(C)C ZINC000585103459 570932105 /nfs/dbraw/zinc/93/21/05/570932105.db2.gz GKVZKSLAZRZLDP-HXUWFJFHSA-N 1 1 390.524 2.760 40 0 GFABMO O=C(NCc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3ccccc3)C[C@@H]1C2 ZINC000306123747 570935637 /nfs/dbraw/zinc/93/56/37/570935637.db2.gz AVNCADMABUBCKL-VQTJNVASSA-N 1 1 387.487 2.512 40 0 GFABMO Cc1cccc(C[N@H+]2CCC[C@@H](c3nc4ccc(N5CCOCC5)cn4n3)C2)n1 ZINC000306124772 570936240 /nfs/dbraw/zinc/93/62/40/570936240.db2.gz BZACACACWPNDCQ-GOSISDBHSA-N 1 1 392.507 2.649 40 0 GFABMO O=S1(=O)c2ccccc2O[C@@]2(CC[N@@H+](CC3CC3)C2)CN1Cc1ccccn1 ZINC000306126388 570936953 /nfs/dbraw/zinc/93/69/53/570936953.db2.gz DUJBVUYHNVNHAG-OAQYLSRUSA-N 1 1 399.516 2.519 40 0 GFABMO O=C1CCCN1C[C@H]1CC[C@]2(COCC[N@@H+](Cc3ccc4[nH]ccc4c3)C2)O1 ZINC000306127858 570937839 /nfs/dbraw/zinc/93/78/39/570937839.db2.gz GJFZBAIHATXNTA-KNQAVFIVSA-N 1 1 383.492 2.540 40 0 GFABMO C[N@H+]1CC[C@]2(C1)CN(C(=O)c1ccnnc1)Cc1sc(-c3ccccc3)nc12 ZINC000306128436 570937967 /nfs/dbraw/zinc/93/79/67/570937967.db2.gz HAHRJJCEBVKIPS-NRFANRHFSA-N 1 1 391.500 2.829 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4ccncc4)C[C@@H]32)cs1 ZINC000306133603 570941047 /nfs/dbraw/zinc/94/10/47/570941047.db2.gz MQPYFGJHYIKPHX-OALUTQOASA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4ccncc4)C[C@@H]32)cs1 ZINC000306133603 570941050 /nfs/dbraw/zinc/94/10/50/570941050.db2.gz MQPYFGJHYIKPHX-OALUTQOASA-N 1 1 379.489 2.730 40 0 GFABMO CCCCS(=O)(=O)N1CCC2(CC1)C[N@@H+](CC1CC1)Cc1cccnc12 ZINC000306137840 570943405 /nfs/dbraw/zinc/94/34/05/570943405.db2.gz RHUKTCUVDYGOKN-UHFFFAOYSA-N 1 1 377.554 2.771 40 0 GFABMO O=S1(=O)c2ccccc2O[C@@]2(CC[N@H+](C3CCC3)C2)CN1Cc1ccccn1 ZINC000306140947 570944838 /nfs/dbraw/zinc/94/48/38/570944838.db2.gz VHJWECJXEQEKLI-OAQYLSRUSA-N 1 1 399.516 2.662 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N1CCC(c2noc(-c3ccc(C)nc3)n2)CC1 ZINC000019215049 570961395 /nfs/dbraw/zinc/96/13/95/570961395.db2.gz INXAETWOMREVIT-UHFFFAOYSA-N 1 1 380.452 2.741 40 0 GFABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@@H+](CCOc2cccc(C)c2)C3)C1 ZINC000019235200 570965554 /nfs/dbraw/zinc/96/55/54/570965554.db2.gz YXHQXTQUDDXMFT-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO CC(=O)N1CCC[C@@H](c2ncc3c(n2)CC[N@H+](CCOc2cccc(C)c2)C3)C1 ZINC000019235200 570965557 /nfs/dbraw/zinc/96/55/57/570965557.db2.gz YXHQXTQUDDXMFT-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO CC(C)Oc1ccc(C[N@H+]2CCc3nc(-c4cnccn4)[nH]c(=O)c3CC2)cc1 ZINC000019450682 570985112 /nfs/dbraw/zinc/98/51/12/570985112.db2.gz MWPQHNCRCVRUIE-UHFFFAOYSA-N 1 1 391.475 2.615 40 0 GFABMO CC[N@H+]1CCC[C@@H]1CN(Cc1ccccn1)Cc1ccnc(N2CCCC2)n1 ZINC000019527167 570997788 /nfs/dbraw/zinc/99/77/88/570997788.db2.gz KXVMXQXPWOBIJM-OAQYLSRUSA-N 1 1 380.540 2.958 40 0 GFABMO Cc1c(NC(=O)CN2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)cnn1C ZINC000019553811 571002442 /nfs/dbraw/zinc/00/24/42/571002442.db2.gz JYRYYERSCPXGLZ-UHFFFAOYSA-N 1 1 398.898 2.691 40 0 GFABMO Cc1cc(C)n([C@H](C)CC(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)n1 ZINC000019572953 571010680 /nfs/dbraw/zinc/01/06/80/571010680.db2.gz RAUMBXGHZARRDO-QZTJIDSGSA-N 1 1 396.539 2.635 40 0 GFABMO Cc1cc(N2CCN(C)CC2)cc([C@@H]2CCCN2C(=O)COc2ccccc2)[nH+]1 ZINC000019698141 571030405 /nfs/dbraw/zinc/03/04/05/571030405.db2.gz KFXGIKBBWFMJAO-QFIPXVFZSA-N 1 1 394.519 2.884 40 0 GFABMO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCC[N@H+]3C)C2)c1 ZINC000019705536 571031924 /nfs/dbraw/zinc/03/19/24/571031924.db2.gz VEQHKZIQJOPNRT-QGZVFWFLSA-N 1 1 383.496 2.553 40 0 GFABMO Cc1cccc(OC(C)(C)C(=O)N2CCn3c(nnc3[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000019705536 571031925 /nfs/dbraw/zinc/03/19/25/571031925.db2.gz VEQHKZIQJOPNRT-QGZVFWFLSA-N 1 1 383.496 2.553 40 0 GFABMO CCN(CC)C(=O)C[N@@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 ZINC000019706530 571032440 /nfs/dbraw/zinc/03/24/40/571032440.db2.gz WIJYCECJBYZUHR-LJQANCHMSA-N 1 1 399.583 2.995 40 0 GFABMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](c2nc(C)c3c(n2)N(CC2CC2)CCC3)C1 ZINC000019706530 571032441 /nfs/dbraw/zinc/03/24/41/571032441.db2.gz WIJYCECJBYZUHR-LJQANCHMSA-N 1 1 399.583 2.995 40 0 GFABMO CNc1nc([C@@H]2CCCN(C(C)=O)C2)nc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019708708 571033257 /nfs/dbraw/zinc/03/32/57/571033257.db2.gz SWISFKFOTDJDHC-LJQANCHMSA-N 1 1 393.535 2.845 40 0 GFABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCC[C@H]1c1nnc2n1CC[N@H+](C)CC2 ZINC000019710765 571034689 /nfs/dbraw/zinc/03/46/89/571034689.db2.gz NCFQARNXVBHHSG-KRWDZBQOSA-N 1 1 396.470 2.672 40 0 GFABMO C[N@H+]1CCC[C@H](c2nnc3n2CCN(C(=O)c2cc4ccc(Cl)cc4[nH]2)C3)C1 ZINC000019711008 571035077 /nfs/dbraw/zinc/03/50/77/571035077.db2.gz UTHIOONBXPXGNN-AWEZNQCLSA-N 1 1 398.898 2.878 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715541 571037226 /nfs/dbraw/zinc/03/72/26/571037226.db2.gz QPMOBWMWZHMTAO-OAHLLOKOSA-N 1 1 398.486 2.946 40 0 GFABMO Cc1nn(C)c(C)c1NC(=O)C[N@H+]1CCC[C@H](Cc2nc3cc(F)ccc3[nH]2)C1 ZINC000019715541 571037229 /nfs/dbraw/zinc/03/72/29/571037229.db2.gz QPMOBWMWZHMTAO-OAHLLOKOSA-N 1 1 398.486 2.946 40 0 GFABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)C[NH+]2CCN(CCO)CC2)cc1 ZINC000026780362 212107722 /nfs/dbraw/zinc/10/77/22/212107722.db2.gz OZCGWCFJTCQSRV-FQEVSTJZSA-N 1 1 392.584 2.750 40 0 GFABMO CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CC[NH+](CCO)CC2)cc1 ZINC000026780362 212107718 /nfs/dbraw/zinc/10/77/18/212107718.db2.gz OZCGWCFJTCQSRV-FQEVSTJZSA-N 1 1 392.584 2.750 40 0 GFABMO O=C(C[NH+]1CCC2(CC1)Nc1ccccc1C(=O)N2)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000012117930 221152262 /nfs/dbraw/zinc/15/22/62/221152262.db2.gz RISJWZFOBCHBHD-PXNSSMCTSA-N 1 1 396.535 2.815 40 0 GFABMO Cc1cc2c(cc1C[N@H+]1CCc3nc(-c4cccnc4)[nH]c(=O)c3C1)OCO2 ZINC000012122158 221154064 /nfs/dbraw/zinc/15/40/64/221154064.db2.gz NKXYVSJKZSBZOQ-UHFFFAOYSA-N 1 1 376.416 2.840 40 0 GFABMO COc1ccc2[nH]c(C)c(C(=O)CN3CCC(O)(Cn4cc[nH+]c4C)CC3)c2c1 ZINC000012143468 221159220 /nfs/dbraw/zinc/15/92/20/221159220.db2.gz JJAYWBIJLIIOBT-UHFFFAOYSA-N 1 1 396.491 2.700 40 0 GFABMO COc1ccccc1O[C@H](C)C(=O)N1CCC[C@@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078800 221395667 /nfs/dbraw/zinc/39/56/67/221395667.db2.gz FSUXKVBEFDDMMY-CRAIPNDOSA-N 1 1 396.491 2.604 40 0 GFABMO COc1cccc(C[N@H+]2C[C@H]3CCC[C@](O)(c4cnc(OC)nc4OC)[C@@H]3C2)c1 ZINC000072343005 222232014 /nfs/dbraw/zinc/23/20/14/222232014.db2.gz VAVFHSYGOBHXAC-PERKRYKHSA-N 1 1 399.491 2.622 40 0 GFABMO COC[C@H](C)NC(=O)C[NH+]1CCC(c2ccc(Nc3ncccc3C)cn2)CC1 ZINC000072374274 222242803 /nfs/dbraw/zinc/24/28/03/222242803.db2.gz OZSXNNSUYFVRRT-KRWDZBQOSA-N 1 1 397.523 2.859 40 0 GFABMO O=S1(=O)[C@@H]2CC[N@@H+](Cc3cccnc3)CC[C@@H]2CN1CCc1ccccc1 ZINC000096145489 222390263 /nfs/dbraw/zinc/39/02/63/222390263.db2.gz XJFSLUMVSOOIHM-NHCUHLMSSA-N 1 1 385.533 2.550 40 0 GFABMO O=S(=O)(c1ccccc1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCOCC1)C2 ZINC000096215405 222398795 /nfs/dbraw/zinc/39/87/95/222398795.db2.gz ZMERTIOPMNLXGM-FQEVSTJZSA-N 1 1 378.538 2.590 40 0 GFABMO COCC[N@H+]1CCOC[C@]2(CCCN(C(=O)c3ccc(-n4cccc4)cc3)C2)C1 ZINC000096228766 222399582 /nfs/dbraw/zinc/39/95/82/222399582.db2.gz WNEAUELQJMHAMW-HSZRJFAPSA-N 1 1 397.519 2.678 40 0 GFABMO CO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 ZINC000257215290 553152753 /nfs/dbraw/zinc/15/27/53/553152753.db2.gz CPMCCBSXOJXFFU-WBVHZDCISA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C[C@@]12CCCO2 ZINC000257215290 553152754 /nfs/dbraw/zinc/15/27/54/553152754.db2.gz CPMCCBSXOJXFFU-WBVHZDCISA-N 1 1 383.286 2.658 40 0 GFABMO CCn1cc(NC(=O)C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(C)n1 ZINC000019719830 570210946 /nfs/dbraw/zinc/21/09/46/570210946.db2.gz MVNHBXSGMNVMFE-MRXNPFEDSA-N 1 1 380.496 2.981 40 0 GFABMO CCn1cc(NC(=O)C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c(C)n1 ZINC000019719830 570210947 /nfs/dbraw/zinc/21/09/47/570210947.db2.gz MVNHBXSGMNVMFE-MRXNPFEDSA-N 1 1 380.496 2.981 40 0 GFABMO COc1cc2c(cc1OC)CN(c1cc(NCCCO)nc(C(C)C)[nH+]1)CC2 ZINC000329069791 570216809 /nfs/dbraw/zinc/21/68/09/570216809.db2.gz ZAZHQGAIFCPISK-UHFFFAOYSA-N 1 1 386.496 2.974 40 0 GFABMO Cc1nc([C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)ncc1C(=O)N1CCCCC1 ZINC000019763209 570217433 /nfs/dbraw/zinc/21/74/33/570217433.db2.gz UIHKILQLQVEVHI-GOSISDBHSA-N 1 1 382.512 2.524 40 0 GFABMO Cc1ccc(C[N@@H+]2CCc3cc(C(=O)N4CCCC4)c(N(C)C)nc3CC2)o1 ZINC000096260381 570225353 /nfs/dbraw/zinc/22/53/53/570225353.db2.gz VVJLNXYIBJDQMJ-UHFFFAOYSA-N 1 1 382.508 2.886 40 0 GFABMO Cc1ccc(C)c(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)c1 ZINC000096308953 570228940 /nfs/dbraw/zinc/22/89/40/570228940.db2.gz DCJRPLYPNUFMIC-OAQYLSRUSA-N 1 1 377.488 2.753 40 0 GFABMO C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CC[N@H+](C)C[C@@H]3c3ccccc3)c2)C1=O ZINC000100731076 570275442 /nfs/dbraw/zinc/27/54/42/570275442.db2.gz QEISVLGGPLUDCX-OXQOHEQNSA-N 1 1 391.471 2.715 40 0 GFABMO C[C@@H]1CC(=O)N(c2cccc(C(=O)N3CC[N@@H+](C)C[C@@H]3c3ccccc3)c2)C1=O ZINC000100731076 570275445 /nfs/dbraw/zinc/27/54/45/570275445.db2.gz QEISVLGGPLUDCX-OXQOHEQNSA-N 1 1 391.471 2.715 40 0 GFABMO CC(C)[C@H]1C[N@H+](Cc2ccco2)CCN1Cc1nnnn1Cc1ccc(F)cc1 ZINC000022914323 570334595 /nfs/dbraw/zinc/33/45/95/570334595.db2.gz PEJBGICLAQVUNT-HXUWFJFHSA-N 1 1 398.486 2.796 40 0 GFABMO CC(C)[C@H]1C[N@@H+](Cc2ccco2)CCN1Cc1nnnn1Cc1ccc(F)cc1 ZINC000022914323 570334600 /nfs/dbraw/zinc/33/46/00/570334600.db2.gz PEJBGICLAQVUNT-HXUWFJFHSA-N 1 1 398.486 2.796 40 0 GFABMO COc1ccc(CC[C@H](C)[NH2+]C[C@H](O)c2ccc(O)c([S@](C)=O)c2)cc1 ZINC000005735012 570454015 /nfs/dbraw/zinc/45/40/15/570454015.db2.gz PAQZZCOZHPGCFW-RWQSDXQISA-N 1 1 377.506 2.783 40 0 in-man GFABMO O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000224564396 570518655 /nfs/dbraw/zinc/51/86/55/570518655.db2.gz JCAJMTHWEXJKIQ-UHFFFAOYSA-N 1 1 394.924 2.792 40 0 GFABMO C[C@@H]1CCCC[N@H+]1Cc1ccc(-c2nnn(CC(=O)NCc3ccco3)n2)cc1 ZINC000004907520 570647390 /nfs/dbraw/zinc/64/73/90/570647390.db2.gz OMFCOUGPUWOOPU-MRXNPFEDSA-N 1 1 394.479 2.624 40 0 GFABMO COCC[N@@H+](C)C[C@@H]1CO[C@]2(C1)CCCN(C(=O)c1cnc3ccccc3c1)C2 ZINC000247973662 570718262 /nfs/dbraw/zinc/71/82/62/570718262.db2.gz ICOWWPUUQLPLAF-JPYJTQIMSA-N 1 1 397.519 2.824 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257235726 570766625 /nfs/dbraw/zinc/76/66/25/570766625.db2.gz GZCLISRUKVKFRU-OAHLLOKOSA-N 1 1 381.484 2.917 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257235726 570766628 /nfs/dbraw/zinc/76/66/28/570766628.db2.gz GZCLISRUKVKFRU-OAHLLOKOSA-N 1 1 381.484 2.917 40 0 GFABMO Cc1noc(C)c1C[N@@H+]1CCC[C@@]2(CCCN2C(=O)CCC(=O)N(C)C)CC1 ZINC000585100711 570925343 /nfs/dbraw/zinc/92/53/43/570925343.db2.gz UKRVQQIEBXUZRS-OAQYLSRUSA-N 1 1 390.528 2.507 40 0 GFABMO CC[NH+]1CCN([C@H](c2nnnn2C2CCCCC2)c2ccccc2OC)CC1 ZINC000019528097 570928710 /nfs/dbraw/zinc/92/87/10/570928710.db2.gz RRUIPYYTQTVLSY-FQEVSTJZSA-N 1 1 384.528 2.914 40 0 GFABMO C[N@@H+](C[C@@H]1CC2(CO1)CCN(C(=O)c1ccccc1)CC2)[C@H]1CC[C@H](O)CC1 ZINC000585105106 570934250 /nfs/dbraw/zinc/93/42/50/570934250.db2.gz YGRRXSUICMAAAA-ACRUOGEOSA-N 1 1 386.536 2.933 40 0 GFABMO c1cnn(-c2ccc(C[N@H+](CCCN3CCOCC3)Cc3cccnc3)cc2)c1 ZINC000019338578 570976548 /nfs/dbraw/zinc/97/65/48/570976548.db2.gz UBSKQKYRCVCSEF-UHFFFAOYSA-N 1 1 391.519 2.992 40 0 GFABMO O[C@H](C[NH+]1CCN(c2ccc(F)cc2F)CC1)c1ccc2c(c1)OCCCO2 ZINC000019345603 570977632 /nfs/dbraw/zinc/97/76/32/570977632.db2.gz OFYLEEIPLVZSNH-LJQANCHMSA-N 1 1 390.430 2.982 40 0 GFABMO O=C(N[C@@H](c1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CCOC2)C1)c1ccccn1 ZINC000019400503 570982535 /nfs/dbraw/zinc/98/25/35/570982535.db2.gz KURHUPKLZRHODK-WAOWUJCRSA-N 1 1 380.492 2.696 40 0 GFABMO C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H](c4ncc5c(n4)CC[N@H+](C)C5)C3)ccc2O1 ZINC000019497925 570990228 /nfs/dbraw/zinc/99/02/28/570990228.db2.gz SHPAOOXBTXFXTM-NVXWUHKLSA-N 1 1 392.503 2.808 40 0 GFABMO COc1ccccc1N1CC[NH+](C[C@H](O)c2ccc3c(c2)OCCCO3)CC1 ZINC000019571209 571009852 /nfs/dbraw/zinc/00/98/52/571009852.db2.gz LEPNJXLFGQSOEE-IBGZPJMESA-N 1 1 384.476 2.712 40 0 GFABMO C[N@H+]1CCc2nc([C@@H]3CCCCN3Cc3ccc4c(c3)OCCO4)ncc2C1 ZINC000019590336 571017499 /nfs/dbraw/zinc/01/74/99/571017499.db2.gz OUDRCGKXRVVLGI-IBGZPJMESA-N 1 1 380.492 2.963 40 0 GFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@@H+]3Cc3ccnn3C)c2)cn1 ZINC000019691030 571029137 /nfs/dbraw/zinc/02/91/37/571029137.db2.gz BIZGHDUPVJAZMR-NRFANRHFSA-N 1 1 390.491 2.882 40 0 GFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3ccnn3C)c2)cn1 ZINC000019691030 571029138 /nfs/dbraw/zinc/02/91/38/571029138.db2.gz BIZGHDUPVJAZMR-NRFANRHFSA-N 1 1 390.491 2.882 40 0 GFABMO Cc1c2cc(F)ccc2[nH]c1C(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+](C)C2)C1 ZINC000019710990 571034542 /nfs/dbraw/zinc/03/45/42/571034542.db2.gz PSQIZKMVIHAZAX-CQSZACIVSA-N 1 1 396.470 2.672 40 0 GFABMO COc1ccc(-c2cc(C(=O)N3CCC([NH+]4CCCC4)CC3)n[nH]2)c(OC)c1 ZINC000019716298 571038295 /nfs/dbraw/zinc/03/82/95/571038295.db2.gz CAKFQYYLETYZKT-UHFFFAOYSA-N 1 1 384.480 2.794 40 0 GFABMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c([nH]c5cccc(OC)c54)[C@H]3C[C@@H]21 ZINC000001578369 212250549 /nfs/dbraw/zinc/25/05/49/212250549.db2.gz WMMZYEBFJWWUJX-NDMPBMFUSA-N 1 1 384.476 2.656 40 0 GFABMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c([nH]c5cccc(OC)c54)[C@H]3C[C@@H]21 ZINC000001578369 212250554 /nfs/dbraw/zinc/25/05/54/212250554.db2.gz WMMZYEBFJWWUJX-NDMPBMFUSA-N 1 1 384.476 2.656 40 0 GFABMO C/C(=C\c1ccccc1)C[N@H+]1CC[C@@H](c2cc(=O)[nH]c(N3CCOCC3)n2)C1 ZINC000012365922 221185225 /nfs/dbraw/zinc/18/52/25/221185225.db2.gz SXFXWQJKJNUXOK-XEYRCQSKSA-N 1 1 380.492 2.912 40 0 GFABMO CC(C)[C@H]1c2cccn2CC[N@@H+]1Cc1ccc(OCC(=O)N2CCOCC2)cc1 ZINC000012188582 221165523 /nfs/dbraw/zinc/16/55/23/221165523.db2.gz LWWGBHMHMNVKCK-QHCPKHFHSA-N 1 1 397.519 2.939 40 0 GFABMO O=C(NCC[NH+]1CCC(O)(c2ccc(F)cc2)CC1)c1c(F)cccc1F ZINC000012290911 221174504 /nfs/dbraw/zinc/17/45/04/221174504.db2.gz OOFYCHILHDRHDB-UHFFFAOYSA-N 1 1 378.394 2.817 40 0 GFABMO COCC[NH+]1CCN(c2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3)n2)CC1 ZINC000072341193 136168555 /nfs/dbraw/zinc/16/85/55/136168555.db2.gz QRIKKNPLOXPGSP-UHFFFAOYSA-N 1 1 398.898 2.956 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@H+](C)C3)nc(N3CCCC(C)(C)C3)c2C1 ZINC000072372182 136169007 /nfs/dbraw/zinc/16/90/07/136169007.db2.gz VTYQCEUWBNQXIL-QGZVFWFLSA-N 1 1 385.556 2.817 40 0 GFABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1cccs1)C2 ZINC000096051294 136183508 /nfs/dbraw/zinc/18/35/08/136183508.db2.gz STHCTFHDARZHHX-LJQANCHMSA-N 1 1 376.453 2.522 40 0 GFABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1cccs1)C2 ZINC000096051294 136183509 /nfs/dbraw/zinc/18/35/09/136183509.db2.gz STHCTFHDARZHHX-LJQANCHMSA-N 1 1 376.453 2.522 40 0 GFABMO CCN1c2ncccc2C(=O)NC12CC[NH+](Cc1cc(OC)cc(OC)c1)CC2 ZINC000036735045 221865895 /nfs/dbraw/zinc/86/58/95/221865895.db2.gz XTVMXYLTITYTGN-UHFFFAOYSA-N 1 1 396.491 2.661 40 0 GFABMO Cc1cc2c(cc1C[N@H+]1CCc3nc(-c4ccccn4)[nH]c(=O)c3C1)OCO2 ZINC000072339900 222230431 /nfs/dbraw/zinc/23/04/31/222230431.db2.gz JKUBUSHINNTTBW-UHFFFAOYSA-N 1 1 376.416 2.840 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCN2C(=O)c2cc(C3CCCCC3)no2)C1 ZINC000072373878 222243446 /nfs/dbraw/zinc/24/34/46/222243446.db2.gz DZMVTRJOLQZNDV-INIZCTEOSA-N 1 1 384.484 2.737 40 0 GFABMO Cc1nnnn1-c1cccc(NC(=O)C2C[NH+](Cc3ccc(Cl)cc3)C2)c1 ZINC000072391802 222248241 /nfs/dbraw/zinc/24/82/41/222248241.db2.gz URCRXHAGJINJIN-UHFFFAOYSA-N 1 1 382.855 2.695 40 0 GFABMO COc1ccc(C[N@@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1OC ZINC000072395810 222252212 /nfs/dbraw/zinc/25/22/12/222252212.db2.gz NCDMURTWNXOHDJ-OFNKIYASSA-N 1 1 394.471 2.863 40 0 GFABMO COc1ccc(C[N@H+]2C[C@H]3N(C)C(=O)c4ccccc4C(=O)[C@@]3(C)C2)cc1OC ZINC000072395810 222252216 /nfs/dbraw/zinc/25/22/16/222252216.db2.gz NCDMURTWNXOHDJ-OFNKIYASSA-N 1 1 394.471 2.863 40 0 GFABMO COc1ncccc1C[N@H+]1CC[C@@]2(C[C@@H](OCc3csc(C)n3)CO2)C1 ZINC000096218474 222397837 /nfs/dbraw/zinc/39/78/37/222397837.db2.gz BGLHLMKQWQPXGM-IEBWSBKVSA-N 1 1 375.494 2.805 40 0 GFABMO NCC1(C[NH3+])[C@@H](c2cccc(Cl)c2)[C@@H]1S(=O)(=O)c1ccc(Cl)cc1 ZINC000218472540 553053992 /nfs/dbraw/zinc/05/39/92/553053992.db2.gz CFXYNICRUQHKIL-HOTGVXAUSA-N 1 1 385.316 2.837 40 0 GFABMO Cc1cc2ncc(C[NH+](C)C)c([C@@H]3CCCN3C(=O)Cc3c(C)noc3C)n2n1 ZINC000019743568 570213290 /nfs/dbraw/zinc/21/32/90/570213290.db2.gz PDUXXCMMIKIWJK-SFHVURJKSA-N 1 1 396.495 2.610 40 0 GFABMO Cn1cc(C[N@H+]2CCC[C@H](NC(=O)c3cnccn3)CC2)c2cc(F)ccc21 ZINC000019749740 570215147 /nfs/dbraw/zinc/21/51/47/570215147.db2.gz DCPVTOKUGRYXMO-KRWDZBQOSA-N 1 1 381.455 2.892 40 0 GFABMO Cc1ccc(C[N@@H+]2CCc3cc(C(=O)NCC4CC4)c(N(C)C)nc3CC2)o1 ZINC000096260361 570225398 /nfs/dbraw/zinc/22/53/98/570225398.db2.gz BVUIZHVINDQJJW-UHFFFAOYSA-N 1 1 382.508 2.790 40 0 GFABMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@@H+]3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@@H]21 ZINC000003641871 570349187 /nfs/dbraw/zinc/34/91/87/570349187.db2.gz WMMZYEBFJWWUJX-PRBYLRKDSA-N 1 1 384.476 2.656 40 0 GFABMO COC(=O)[C@H]1[C@@H](O)CC[C@H]2C[N@H+]3CCc4c([nH]c5cccc(OC)c54)[C@@H]3C[C@@H]21 ZINC000003641871 570349189 /nfs/dbraw/zinc/34/91/89/570349189.db2.gz WMMZYEBFJWWUJX-PRBYLRKDSA-N 1 1 384.476 2.656 40 0 GFABMO O=C(NCCNc1cc[nH+]c2cc(Cl)ccc12)c1cnc2sccn2c1=O ZINC000223036235 570439168 /nfs/dbraw/zinc/43/91/68/570439168.db2.gz YRHGIRNSNHEFOQ-UHFFFAOYSA-N 1 1 399.863 2.800 40 0 GFABMO COC(=O)C[C@@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000026894793 570451040 /nfs/dbraw/zinc/45/10/40/570451040.db2.gz PVONOPHPYDOXPB-OAHLLOKOSA-N 1 1 380.444 2.772 40 0 GFABMO C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1 ZINC000000920689 570536443 /nfs/dbraw/zinc/53/64/43/570536443.db2.gz DNKIFNPZZCGATF-INIZCTEOSA-N 1 1 393.553 2.968 40 0 GFABMO C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)C1 ZINC000000920689 570536451 /nfs/dbraw/zinc/53/64/51/570536451.db2.gz DNKIFNPZZCGATF-INIZCTEOSA-N 1 1 393.553 2.968 40 0 GFABMO CCO[C@@](C)(C(=O)Nc1ccc(OCCC[NH+]2CCOCC2)cc1)C1CC1 ZINC000225724063 570609309 /nfs/dbraw/zinc/60/93/09/570609309.db2.gz HRPUWFNOHGNIDH-OAQYLSRUSA-N 1 1 376.497 2.931 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000257235725 570766502 /nfs/dbraw/zinc/76/65/02/570766502.db2.gz GZCLISRUKVKFRU-HNNXBMFYSA-N 1 1 381.484 2.917 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000257235725 570766507 /nfs/dbraw/zinc/76/65/07/570766507.db2.gz GZCLISRUKVKFRU-HNNXBMFYSA-N 1 1 381.484 2.917 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@H+](Cc2c[nH]cn2)C1 ZINC000257237056 570767065 /nfs/dbraw/zinc/76/70/65/570767065.db2.gz HEYIOGVGLDXCLK-OAHLLOKOSA-N 1 1 381.484 2.917 40 0 GFABMO Cc1noc(C)c1-c1cnc(N(C)C)nc1[C@@H]1CCC[N@@H+](Cc2c[nH]cn2)C1 ZINC000257237056 570767067 /nfs/dbraw/zinc/76/70/67/570767067.db2.gz HEYIOGVGLDXCLK-OAHLLOKOSA-N 1 1 381.484 2.917 40 0 GFABMO CC(=O)NCc1cccc(-c2cccnc2C(=O)NCC[C@@H]2CCC[N@@H+]2C)c1 ZINC000257266985 570772499 /nfs/dbraw/zinc/77/24/99/570772499.db2.gz MFKHWHYVIUGXPA-IBGZPJMESA-N 1 1 380.492 2.599 40 0 GFABMO Cc1[nH+]ccn1[C@@H]1CCC[C@@H](N(C)C(=O)CCc2nc3ccccc3[nH]2)[C@H]1O ZINC000257342435 570784548 /nfs/dbraw/zinc/78/45/48/570784548.db2.gz ZOPCPHITHREXDM-DBXWQHBBSA-N 1 1 381.480 2.614 40 0 GFABMO CC[NH+]1CCN(C(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)CC1 ZINC000013639236 570862623 /nfs/dbraw/zinc/86/26/23/570862623.db2.gz HSJGBKBUJHFVLQ-UHFFFAOYSA-N 1 1 398.898 2.839 40 0 GFABMO O=C(Nc1cccc(F)c1)c1nnc2n1C[C@@H]1C[N@H+](Cc3ccoc3)C[C@@H]1C2 ZINC000306126742 570937472 /nfs/dbraw/zinc/93/74/72/570937472.db2.gz FDULWWGQZVCOBF-GJZGRUSLSA-N 1 1 381.411 2.567 40 0 GFABMO O=C(Nc1ccccc1)c1nnc2n1C[C@H]1C[N@H+](Cc3cccs3)C[C@H]1C2 ZINC000306133257 570940755 /nfs/dbraw/zinc/94/07/55/570940755.db2.gz MGUDTYBXZFRPQL-HUUCEWRRSA-N 1 1 379.489 2.896 40 0 GFABMO Cc1ccc(CNC(=O)[C@@H]2CN(C)CC3(CC[NH+](Cc4ccco4)CC3)O2)cc1 ZINC000306134607 570941594 /nfs/dbraw/zinc/94/15/94/570941594.db2.gz NTMLDRYZCPOYEA-NRFANRHFSA-N 1 1 397.519 2.570 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@@H+](Cc4ccncc4)C[C@H]32)cc1 ZINC000306135768 570942078 /nfs/dbraw/zinc/94/20/78/570942078.db2.gz PADGUJWXOZCWEE-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO COc1ccc(CN2C(=O)c3cccn3[C@@H]3C[N@H+](Cc4ccncc4)C[C@H]32)cc1 ZINC000306135768 570942082 /nfs/dbraw/zinc/94/20/82/570942082.db2.gz PADGUJWXOZCWEE-FGZHOGPDSA-N 1 1 388.471 2.973 40 0 GFABMO Cc1ccccc1CC(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)C[N@@H+](C(C)C)CC2 ZINC000019237066 570967014 /nfs/dbraw/zinc/96/70/14/570967014.db2.gz DHMATQGMYYVBSO-FQEVSTJZSA-N 1 1 394.519 2.751 40 0 GFABMO Cc1[nH+]ccn1C[C@@H](C)C(=O)N1CCC[C@@H](n2nc(-c3ccco3)ccc2=O)C1 ZINC000019287695 570970597 /nfs/dbraw/zinc/97/05/97/570970597.db2.gz XYSOTIJHGHPEFS-NVXWUHKLSA-N 1 1 395.463 2.508 40 0 GFABMO O=C([C@H]1CC[N@H+]1C1CCCCC1)N1CCC2(CC1)Nc1ccccc1C(=O)N2 ZINC000019374641 570981627 /nfs/dbraw/zinc/98/16/27/570981627.db2.gz DRKVSIFQKLHCON-LJQANCHMSA-N 1 1 382.508 2.568 40 0 GFABMO CC(=O)N1CCc2nc(C3CC[NH+](Cc4cnc(C(C)C)nc4)CC3)ncc2C1 ZINC000019454018 570986489 /nfs/dbraw/zinc/98/64/89/570986489.db2.gz VDYMHTCTIWYXAA-UHFFFAOYSA-N 1 1 394.523 2.674 40 0 GFABMO C[N@H+]1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2S(=O)(=O)N1CCCC1 ZINC000019589184 571016229 /nfs/dbraw/zinc/01/62/29/571016229.db2.gz WBROGEJYPGVXJC-VAMGGRTRSA-N 1 1 377.554 2.669 40 0 GFABMO COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3ncc4c(n3)CC[N@H+](C)C4)C2)c1 ZINC000019590430 571018072 /nfs/dbraw/zinc/01/80/72/571018072.db2.gz CQACSZQEPFLLJC-OAHLLOKOSA-N 1 1 396.491 2.502 40 0 GFABMO Cc1[nH+]ccn1CCC1CCN(C(=O)C[C@H]2Oc3ccccc3NC2=O)CC1 ZINC000019657098 571023831 /nfs/dbraw/zinc/02/38/31/571023831.db2.gz KTWXPXYTXXFKCO-LJQANCHMSA-N 1 1 382.464 2.610 40 0 GFABMO Cc1nccn1C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)nc(C)n3C)C1 ZINC000019658007 571024448 /nfs/dbraw/zinc/02/44/48/571024448.db2.gz UECZSHHQJNQWLE-QGZVFWFLSA-N 1 1 380.496 2.737 40 0 GFABMO CC(C)[C@H](CNC(=O)c1ccc2[nH]c(C(F)(F)F)nc2c1)[NH+]1CCOCC1 ZINC000019662294 571026070 /nfs/dbraw/zinc/02/60/70/571026070.db2.gz QDFMIXLLWFBIQK-HNNXBMFYSA-N 1 1 384.402 2.668 40 0 GFABMO Nc1ncc(-c2ccc([C@H]3CCC[N@H+](CC(=O)NC4CCCCC4)C3)nc2)cn1 ZINC000019688607 571028584 /nfs/dbraw/zinc/02/85/84/571028584.db2.gz AABKYHKGNYSDMO-KRWDZBQOSA-N 1 1 394.523 2.749 40 0 GFABMO Nc1ncc(-c2ccc([C@H]3CCC[N@@H+](CC(=O)NC4CCCCC4)C3)nc2)cn1 ZINC000019688607 571028588 /nfs/dbraw/zinc/02/85/88/571028588.db2.gz AABKYHKGNYSDMO-KRWDZBQOSA-N 1 1 394.523 2.749 40 0 GFABMO CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCC[N@H+]3Cc3cnn(C)c3)c2)cn1 ZINC000019690993 571029151 /nfs/dbraw/zinc/02/91/51/571029151.db2.gz XSHZAHQTOZGEJO-NRFANRHFSA-N 1 1 390.491 2.882 40 0 GFABMO Cc1ccc2c(c1)c(=O)c(C(=O)NC1CC[NH+](Cc3ccccn3)CC1)cn2C ZINC000019718096 571041195 /nfs/dbraw/zinc/04/11/95/571041195.db2.gz BTADDYGIADSMNS-UHFFFAOYSA-N 1 1 390.487 2.636 40 0 GFABMO COc1cc2c(cc1OC)C[N@H+](C[C@H](C)N1C(=O)c3ccccc3C1=O)CC2 ZINC000001063779 212213065 /nfs/dbraw/zinc/21/30/65/212213065.db2.gz WQMSBOMDUUDBEU-AWEZNQCLSA-N 1 1 380.444 2.747 40 0 GFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@H](C)N1C(=O)c3ccccc3C1=O)CC2 ZINC000001063779 212213069 /nfs/dbraw/zinc/21/30/69/212213069.db2.gz WQMSBOMDUUDBEU-AWEZNQCLSA-N 1 1 380.444 2.747 40 0 GFABMO COc1ccc2[nH]c(C)c(C(=O)C[N@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1 ZINC000015890147 212149874 /nfs/dbraw/zinc/14/98/74/212149874.db2.gz IJXXOEAHBKEJRV-JKSUJKDBSA-N 1 1 391.471 2.949 40 0 GFABMO COc1ccc2[nH]c(C)c(C(=O)C[N@@H+]3C[C@H]4C[C@H](Cn5c(=O)cccc54)C3)c2c1 ZINC000015890147 212149877 /nfs/dbraw/zinc/14/98/77/212149877.db2.gz IJXXOEAHBKEJRV-JKSUJKDBSA-N 1 1 391.471 2.949 40 0 GFABMO C[C@H]1C[NH+](C[C@H](O)COc2c(F)cc(Br)cc2F)C[C@H](C)O1 ZINC000034651273 212111316 /nfs/dbraw/zinc/11/13/16/212111316.db2.gz MEDVQDWRNABAKE-NHCYSSNCSA-N 1 1 380.229 2.576 40 0 GFABMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccccc2Cl)CC1 ZINC000024171328 212105753 /nfs/dbraw/zinc/10/57/53/212105753.db2.gz SNDSGFCKAMAYJC-INIZCTEOSA-N 1 1 376.884 2.911 40 0 GFABMO CC(=O)Nc1ccc(C[N@H+]2CCc3nc(-c4cccnc4)[nH]c(=O)c3C2)cc1 ZINC000012121979 221153913 /nfs/dbraw/zinc/15/39/13/221153913.db2.gz FIPKIBOZZCLYJZ-UHFFFAOYSA-N 1 1 375.432 2.761 40 0 GFABMO COCC[NH+]1CCN(c2ncc(-c3cc(C)no3)c(-c3ccc(C)o3)n2)CC1 ZINC000072340114 136168484 /nfs/dbraw/zinc/16/84/84/136168484.db2.gz SVBYQAPYGWRELC-UHFFFAOYSA-N 1 1 383.452 2.777 40 0 GFABMO CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CC[N@@H+](Cc1ccc(C)s1)C2 ZINC000096050141 136183349 /nfs/dbraw/zinc/18/33/49/136183349.db2.gz KTNTXKVXEHAHGF-OAQYLSRUSA-N 1 1 383.517 2.896 40 0 GFABMO CC[NH+]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@]2(C)C[C@@]32Nc3ccccc3C(=O)N2)CC1 ZINC000072326501 222227624 /nfs/dbraw/zinc/22/76/24/222227624.db2.gz UNHQNJAZFOTXBR-UKTRLQBQSA-N 1 1 396.535 2.529 40 0 GFABMO COc1ccccc1[C@@]1(O)CCC[C@H]2C[N@@H+](Cc3cnc(N(C)C)nc3)C[C@H]21 ZINC000072340986 222231132 /nfs/dbraw/zinc/23/11/32/222231132.db2.gz YYVYQVXDOZCAFN-KPLVRAHFSA-N 1 1 382.508 2.671 40 0 GFABMO COc1cc(C[N@H+]2[C@@H]3CC[C@H]2Cc2c(=O)[nH]c(C)nc2C3)cc(OC)c1OC ZINC000072372991 222243136 /nfs/dbraw/zinc/24/31/36/222243136.db2.gz XYYPXKBNHJFUIC-LSDHHAIUSA-N 1 1 385.464 2.648 40 0 GFABMO C[N@H+]1CCn2c(nnc2[C@@H]2CCCCN2C(=O)CCc2c[nH]c3ccccc23)C1 ZINC000072374034 222243423 /nfs/dbraw/zinc/24/34/23/222243423.db2.gz LYBVMZOCDOOUGP-IBGZPJMESA-N 1 1 392.507 2.891 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CCC[N@@H+](CCOc4ccccc4C)C3)ncc2C1 ZINC000072390879 222247221 /nfs/dbraw/zinc/24/72/21/222247221.db2.gz QKRVXISDZCIXKA-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CCN(Cc1nccs1)CC3 ZINC000096036301 222372488 /nfs/dbraw/zinc/37/24/88/222372488.db2.gz BGIIIXVMHRUEJJ-LAUBAEHRSA-N 1 1 388.581 2.690 40 0 GFABMO Cn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1c1ccccc1n2CC1CC1 ZINC000096037424 222372801 /nfs/dbraw/zinc/37/28/01/222372801.db2.gz XKJORJRJARHMMU-UHFFFAOYSA-N 1 1 394.519 2.995 40 0 GFABMO CC(C)C[N@H+]1CC2(CCN(C(=O)c3cccs3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC000096144186 222388535 /nfs/dbraw/zinc/38/85/35/222388535.db2.gz WEORRYXFIUWWNS-NRFANRHFSA-N 1 1 389.565 2.791 40 0 GFABMO CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 ZINC000257284682 553152991 /nfs/dbraw/zinc/15/29/91/553152991.db2.gz PDUKEHYXRBOHBE-DOTOQJQBSA-N 1 1 383.286 2.658 40 0 GFABMO CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2)CC[C@]12CCCO2 ZINC000257284682 553152992 /nfs/dbraw/zinc/15/29/92/553152992.db2.gz PDUKEHYXRBOHBE-DOTOQJQBSA-N 1 1 383.286 2.658 40 0 GFABMO Cn1cc(-c2ccc3c(c2)O[C@H]2C[N@@H+](Cc4ccccc4)C[C@H]2N(C)C3=O)cn1 ZINC000514290368 560029806 /nfs/dbraw/zinc/02/98/06/560029806.db2.gz YVZFNYWGBLEJTF-IRLDBZIGSA-N 1 1 388.471 2.805 40 0 biogenic,in-vitro GFABMO OC1(c2csc(CN3CCOCC3)n2)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000225467917 560043234 /nfs/dbraw/zinc/04/32/34/560043234.db2.gz OMIVGRRNUWJDHR-UHFFFAOYSA-N 1 1 391.512 2.598 40 0 biogenic,in-vitro GFABMO C[N@@H+]1CCC[C@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn43)s2)C1 ZINC000585263124 565103913 /nfs/dbraw/zinc/10/39/13/565103913.db2.gz MWRKTKAVSSSKHK-LBPRGKRZSA-N 1 1 375.885 2.935 40 0 GFABMO C[N@H+]1CCC[C@H](NC(=O)c2cnc(-c3cnc4ccc(Cl)cn43)s2)C1 ZINC000585263124 565103918 /nfs/dbraw/zinc/10/39/18/565103918.db2.gz MWRKTKAVSSSKHK-LBPRGKRZSA-N 1 1 375.885 2.935 40 0 GFABMO Cc1nc([C@H]2CCC[N@@H+](CCOc3ccc(F)cc3)C2)ncc1C(=O)N(C)C ZINC000019763118 570217072 /nfs/dbraw/zinc/21/70/72/570217072.db2.gz FUJFFGLGPTXASW-INIZCTEOSA-N 1 1 386.471 2.884 40 0 GFABMO CC(C)[N@H+](C)Cc1ncn2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CCC2 ZINC000096259273 570225366 /nfs/dbraw/zinc/22/53/66/570225366.db2.gz HUXOVJWFLSPOGC-UHFFFAOYSA-N 1 1 398.479 2.596 40 0 GFABMO CC(C)[N@@H+](C)Cc1ncn2c1CN(S(=O)(=O)c1cc(F)cc(F)c1)CCC2 ZINC000096259273 570225369 /nfs/dbraw/zinc/22/53/69/570225369.db2.gz HUXOVJWFLSPOGC-UHFFFAOYSA-N 1 1 398.479 2.596 40 0 GFABMO CCOCCOc1ccc(C[N@@H+]2CC[C@@](O)(CN3CCC(F)(F)CC3)C2)cc1 ZINC000585270293 570239385 /nfs/dbraw/zinc/23/93/85/570239385.db2.gz SWNOMQMBBSDXHO-HXUWFJFHSA-N 1 1 398.494 2.770 40 0 GFABMO O=S(=O)(Cc1ccccc1Cl)NCc1cccc(C[NH+]2CCOCC2)c1 ZINC000116772979 570345639 /nfs/dbraw/zinc/34/56/39/570345639.db2.gz AXBREIKWWAHZHU-UHFFFAOYSA-N 1 1 394.924 2.792 40 0 GFABMO CC[C@H]1C[N@H+]2CC[C@@]3(C(=O)Nc4ccccc43)[C@H]2C[C@@H]1/C(=C\OC)C(=O)OC ZINC000203653169 570380610 /nfs/dbraw/zinc/38/06/10/570380610.db2.gz DAXYUDFNWXHGBE-OBADGVGUSA-N 1 1 384.476 2.700 40 0 GFABMO O=C(NC1(C[NH+]2CCN(c3ccc(F)cc3)CC2)CC1)c1ccc2[nH]cnc2c1 ZINC000685939038 570397376 /nfs/dbraw/zinc/39/73/76/570397376.db2.gz RLLHFCVGLWCKCR-UHFFFAOYSA-N 1 1 393.466 2.787 40 0 GFABMO COC(=O)C[C@H]1CN(C(=O)OCC2c3ccccc3-c3ccccc32)CC[NH2+]1 ZINC000026894796 570451019 /nfs/dbraw/zinc/45/10/19/570451019.db2.gz PVONOPHPYDOXPB-HNNXBMFYSA-N 1 1 380.444 2.772 40 0 GFABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@H](O)COC1CCCCC1 ZINC000257336214 570487299 /nfs/dbraw/zinc/48/72/99/570487299.db2.gz YNOTWEWSPUEKDE-NRFANRHFSA-N 1 1 376.541 2.661 40 0 GFABMO COc1ccccc1OC[C@H](O)C[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000031666914 570505397 /nfs/dbraw/zinc/50/53/97/570505397.db2.gz UOYSXEIZIYJLRI-GOSISDBHSA-N 1 1 376.884 2.911 40 0 GFABMO CSc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000145111312 570516973 /nfs/dbraw/zinc/51/69/73/570516973.db2.gz ACIGFCYQEUBQDS-UHFFFAOYSA-N 1 1 392.546 2.719 40 0 GFABMO COc1c2c(cc3c1[C@@H](C[C@@H](O)[C@H]1CCOC(C)(C)C1)[N@@H+](C)CC3)OCO2 ZINC000004061873 570614230 /nfs/dbraw/zinc/61/42/30/570614230.db2.gz TWOLFEWIKVSGFO-ARFHVFGLSA-N 1 1 377.481 2.909 40 0 GFABMO COc1ccccc1NC(=O)C[NH+]1CCC(n2nnc3cc(F)ccc32)CC1 ZINC000004388390 570626784 /nfs/dbraw/zinc/62/67/84/570626784.db2.gz ZSDGAINOGMRYMO-UHFFFAOYSA-N 1 1 383.427 2.855 40 0 GFABMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000044948581 570645174 /nfs/dbraw/zinc/64/51/74/570645174.db2.gz IHWJLTHAMFANQE-QGZVFWFLSA-N 1 1 393.553 2.746 40 0 GFABMO C[N@H+]1C[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)COCc1nc2ccccc2[nH]1 ZINC000257229161 570764689 /nfs/dbraw/zinc/76/46/89/570764689.db2.gz FWXHRPQHNGETQY-TUXJCPBXSA-N 1 1 382.508 2.943 40 0 GFABMO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC000257316714 570780415 /nfs/dbraw/zinc/78/04/15/570780415.db2.gz VGRFHGZPIPHDLE-CUXKYVRBSA-N 1 1 387.499 2.648 40 0 GFABMO CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)C[N@H+](C)Cc1ccc(F)cc1)C2 ZINC000257316714 570780419 /nfs/dbraw/zinc/78/04/19/570780419.db2.gz VGRFHGZPIPHDLE-CUXKYVRBSA-N 1 1 387.499 2.648 40 0 GFABMO C[N@@H+](Cc1cccnc1)[C@@H]1COC2(C1)CCN(C(=O)c1ccnc(F)c1)CC2 ZINC000585100014 570923388 /nfs/dbraw/zinc/92/33/88/570923388.db2.gz ZUZXIRJBGHYJBL-SFHVURJKSA-N 1 1 384.455 2.511 40 0 GFABMO O=C(c1ccnc(C(F)(F)F)c1)N1CCC[C@]2(CC[N@H+]2C[C@@H]2CCCO2)C1 ZINC000585101711 570927531 /nfs/dbraw/zinc/92/75/31/570927531.db2.gz AOKZISPLNXBFRT-YJBOKZPZSA-N 1 1 383.414 2.960 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@H](C[N@H+]3CCC[C@@H](O)C3)C2)CC1 ZINC000585104136 570930011 /nfs/dbraw/zinc/93/00/11/570930011.db2.gz LUMSSBWHAVZRPK-UXHICEINSA-N 1 1 386.536 2.717 40 0 GFABMO O=C(Nc1ccc(C(=O)N2CCC[C@]3(CC[N@H+]3C[C@H]3CCCO3)C2)cc1)C1CC1 ZINC000585102255 570930052 /nfs/dbraw/zinc/93/00/52/570930052.db2.gz VNFNPYTTZNSPTE-OFNKIYASSA-N 1 1 397.519 2.895 40 0 GFABMO CCC[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C(=O)NC21CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000585106187 570936309 /nfs/dbraw/zinc/93/63/09/570936309.db2.gz AXTIDFVLJACFFE-DBVUQKKJSA-N 1 1 399.535 2.536 40 0 GFABMO Cc1cccc(C[N@H+]2CCCN(C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 ZINC000019236271 570966519 /nfs/dbraw/zinc/96/65/19/570966519.db2.gz DTWCOPPXTNFCFM-GOSISDBHSA-N 1 1 379.504 2.990 40 0 GFABMO Cc1cccc(C[N@@H+]2CCCN(C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)CC2)n1 ZINC000019236271 570966523 /nfs/dbraw/zinc/96/65/23/570966523.db2.gz DTWCOPPXTNFCFM-GOSISDBHSA-N 1 1 379.504 2.990 40 0 GFABMO C[C@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)ccc2O1 ZINC000019497938 570990591 /nfs/dbraw/zinc/99/05/91/570990591.db2.gz BRKMZUWTHFBZSO-IFXJQAMLSA-N 1 1 378.476 2.765 40 0 GFABMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nc(CC)cc(=O)[nH]3)C1)OCO2 ZINC000019522498 570995374 /nfs/dbraw/zinc/99/53/74/570995374.db2.gz YOFFNQBCEUMRIS-CQSZACIVSA-N 1 1 385.464 2.839 40 0 GFABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@H+](CC(C)=O)C1 ZINC000019530009 570998626 /nfs/dbraw/zinc/99/86/26/570998626.db2.gz AJRANGSYDNTGTF-HRAATJIYSA-N 1 1 390.455 2.943 40 0 GFABMO CCOC(=O)[C@@]1(C[C@@H]2CC(c3ccccc3F)=NO2)CCC[N@@H+](CC(C)=O)C1 ZINC000019530009 570998627 /nfs/dbraw/zinc/99/86/27/570998627.db2.gz AJRANGSYDNTGTF-HRAATJIYSA-N 1 1 390.455 2.943 40 0 GFABMO COc1ccc(OC)c(C[N@H+]2CC[C@@H](c3nc(-c4ccncc4)cc(=O)[nH]3)C2)c1 ZINC000019551446 571001286 /nfs/dbraw/zinc/00/12/86/571001286.db2.gz BDTSEIARTYPTDR-MRXNPFEDSA-N 1 1 392.459 2.839 40 0 GFABMO Cc1nn(C[C@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c(C)c1C ZINC000019556792 571003339 /nfs/dbraw/zinc/00/33/39/571003339.db2.gz OQLDYGGEGQEGRY-XOBRGWDASA-N 1 1 396.539 2.586 40 0 GFABMO C[C@@H]([C@H](O)c1ccccc1)[N@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087821 571003698 /nfs/dbraw/zinc/00/36/98/571003698.db2.gz XVWDEHLVPDHPLZ-SJCJKPOMSA-N 1 1 378.270 2.837 40 0 GFABMO C[C@@H]([C@H](O)c1ccccc1)[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000066087821 571003699 /nfs/dbraw/zinc/00/36/99/571003699.db2.gz XVWDEHLVPDHPLZ-SJCJKPOMSA-N 1 1 378.270 2.837 40 0 GFABMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3nnc(-c4cccs4)n3)C2)cc1CO ZINC000019559336 571004959 /nfs/dbraw/zinc/00/49/59/571004959.db2.gz JQYCNBUKEWPHIF-MRXNPFEDSA-N 1 1 399.520 2.815 40 0 GFABMO COc1cccc(C[N@H+]2CC[C@H](c3nc(-c4cccnc4)cc(=O)[nH]3)C2)c1OC ZINC000019567629 571008756 /nfs/dbraw/zinc/00/87/56/571008756.db2.gz IKZWTARTLYTMFW-KRWDZBQOSA-N 1 1 392.459 2.839 40 0 GFABMO CC[N@H+]1CCC[C@H](Nc2cc(Cn3c(C)nc4ccccc4c3=O)nc(C)n2)C1 ZINC000019655477 571023246 /nfs/dbraw/zinc/02/32/46/571023246.db2.gz SXGSVCQOAWSQSQ-KRWDZBQOSA-N 1 1 392.507 2.748 40 0 GFABMO Cc1cc(C)cc(C2(C(=O)NC[C@H](C(C)C)[NH+]3CCOCC3)CCOCC2)c1 ZINC000019662083 571026212 /nfs/dbraw/zinc/02/62/12/571026212.db2.gz JWMKJNLJYPNEQW-OAQYLSRUSA-N 1 1 388.552 2.825 40 0 GFABMO Cc1cccc2[nH]c(C(=O)N3CCn4c(nnc4[C@@H]4CCC[N@H+](C)C4)C3)cc21 ZINC000019711000 571034586 /nfs/dbraw/zinc/03/45/86/571034586.db2.gz SFJAWUVUXAUEDZ-OAHLLOKOSA-N 1 1 378.480 2.533 40 0 GFABMO C[N@@H+]1CCc2nnc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2CC1 ZINC000019710761 571034701 /nfs/dbraw/zinc/03/47/01/571034701.db2.gz IKXUJUHIMLAKSR-KRWDZBQOSA-N 1 1 387.915 2.716 40 0 GFABMO Cc1cccnc1C[N@@H+]1CCCN(C(=O)c2ccccc2Cn2cccn2)CC1 ZINC000019713979 571035740 /nfs/dbraw/zinc/03/57/40/571035740.db2.gz HMBPSKGQDCGTQL-UHFFFAOYSA-N 1 1 389.503 2.983 40 0 GFABMO Cc1cccnc1C[N@H+]1CCCN(C(=O)c2ccccc2Cn2cccn2)CC1 ZINC000019713979 571035742 /nfs/dbraw/zinc/03/57/42/571035742.db2.gz HMBPSKGQDCGTQL-UHFFFAOYSA-N 1 1 389.503 2.983 40 0 GFABMO CCC[NH+]1CCN(C(=O)CSc2n[nH]c(-c3ccccc3Cl)n2)CC1 ZINC000009198384 221073337 /nfs/dbraw/zinc/07/33/37/221073337.db2.gz GWTLRUDVMXKAEJ-UHFFFAOYSA-N 1 1 379.917 2.771 40 0 GFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1F ZINC000012366323 221184575 /nfs/dbraw/zinc/18/45/75/221184575.db2.gz CDRDFHMTRDHLEV-VSOVRNOCSA-N 1 1 383.467 2.818 40 0 GFABMO COc1ccc2cnc(C3CC[NH+](CC(=O)[C@H]4CC(=O)N(C)C4)CC3)cc2c1C ZINC000012188136 221165417 /nfs/dbraw/zinc/16/54/17/221165417.db2.gz VGTSHYIGOJPVHS-SFHVURJKSA-N 1 1 395.503 2.779 40 0 GFABMO Cc1c(C(=O)NC(C)(C)C[N@@H+]2CCC[C@H](C)C2)sc2ncn(C)c(=O)c12 ZINC000012203319 221168437 /nfs/dbraw/zinc/16/84/37/221168437.db2.gz ZFJHFUNXTZRKMQ-LBPRGKRZSA-N 1 1 376.526 2.544 40 0 GFABMO CC(=O)NCCn1nc([C@H]2CC[N@@H+](Cc3ccc(F)cc3)C2)c2cccnc21 ZINC000019021805 221394803 /nfs/dbraw/zinc/39/48/03/221394803.db2.gz UHOYGJLSXARWBP-KRWDZBQOSA-N 1 1 381.455 2.696 40 0 GFABMO COc1cccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ncc3c(n2)CC[N@H+](C)C3)c1 ZINC000019078791 221395129 /nfs/dbraw/zinc/39/51/29/221395129.db2.gz BJYDGOBOSGTUJJ-YWZLYKJASA-N 1 1 396.491 2.604 40 0 GFABMO C[C@@H](Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc2c(n1)CC[N@H+](C)C2 ZINC000019078779 221395173 /nfs/dbraw/zinc/39/51/73/221395173.db2.gz YJCLPKUGIOVFLJ-KUHUBIRLSA-N 1 1 384.455 2.735 40 0 GFABMO CC(=O)N1CCc2nc([C@H]3CCC[N@H+](C)C3)nc(N3CCCC(C)(C)C3)c2C1 ZINC000072372183 136168968 /nfs/dbraw/zinc/16/89/68/136168968.db2.gz VTYQCEUWBNQXIL-KRWDZBQOSA-N 1 1 385.556 2.817 40 0 GFABMO NC(=O)c1ccc(-c2cnc(N)nc2[C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000072345951 222232960 /nfs/dbraw/zinc/23/29/60/222232960.db2.gz ZAMIOBQTWYYTEH-SFHVURJKSA-N 1 1 388.475 2.599 40 0 GFABMO CN(CCO)C(=O)c1cc([C@H]2CC[N@@H+](Cc3cccnc3)C2)nc2ccccc21 ZINC000072356014 222239467 /nfs/dbraw/zinc/23/94/67/222239467.db2.gz NMCORAPZBSIQAJ-SFHVURJKSA-N 1 1 390.487 2.684 40 0 GFABMO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@@H+]2Cc2ccnc3ccccc23)C1 ZINC000072373892 222242254 /nfs/dbraw/zinc/24/22/54/222242254.db2.gz HMCNBVORJWSWHF-IBGZPJMESA-N 1 1 376.464 2.526 40 0 GFABMO CC(=O)N1CCn2c(nnc2[C@@H]2CCC[N@H+]2Cc2ccnc3ccccc23)C1 ZINC000072373892 222242257 /nfs/dbraw/zinc/24/22/57/222242257.db2.gz HMCNBVORJWSWHF-IBGZPJMESA-N 1 1 376.464 2.526 40 0 GFABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@H+](CC(=O)N4CCCC4)C3)n2)nc1 ZINC000072377587 222245761 /nfs/dbraw/zinc/24/57/61/222245761.db2.gz VEYHOLCNOZHCMZ-KRWDZBQOSA-N 1 1 380.496 2.725 40 0 GFABMO Cc1ccc(Nc2nccc([C@H]3CCC[N@@H+](CC(=O)N4CCCC4)C3)n2)nc1 ZINC000072377587 222245766 /nfs/dbraw/zinc/24/57/66/222245766.db2.gz VEYHOLCNOZHCMZ-KRWDZBQOSA-N 1 1 380.496 2.725 40 0 GFABMO C[N@H+]1CCC[C@@H]2[C@H]1[C@@H](c1ccc(F)cc1)CN2C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000072391143 222249276 /nfs/dbraw/zinc/24/92/76/222249276.db2.gz WSQWPDXYUXIAMI-YVWKXTFCSA-N 1 1 395.434 2.963 40 0 GFABMO CN1CCC([N@@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111863 222382126 /nfs/dbraw/zinc/38/21/26/222382126.db2.gz AEBWVIFGBDQIFY-FPOVZHCZSA-N 1 1 392.503 2.544 40 0 biogenic,in-vitro GFABMO CN1CCC([N@H+]2C[C@@H]3C[C@H]2C(=O)N(Cc2ccccn2)c2ccccc2O3)CC1 ZINC000096111863 222382128 /nfs/dbraw/zinc/38/21/28/222382128.db2.gz AEBWVIFGBDQIFY-FPOVZHCZSA-N 1 1 392.503 2.544 40 0 biogenic,in-vitro GFABMO CC(C)n1c2c(nc1C(=O)N1CCC[N@@H+](C)CC1)CN(Cc1ccccc1)CC2 ZINC000096147132 222389939 /nfs/dbraw/zinc/38/99/39/222389939.db2.gz ZRSKGSJAJKSYHW-UHFFFAOYSA-N 1 1 395.551 2.800 40 0 GFABMO Cc1ccc(C[N@@H+]2CC[C@]3(CC(C(=O)N(C)Cc4ccccn4)=NO3)C2)s1 ZINC000096225904 222399704 /nfs/dbraw/zinc/39/97/04/222399704.db2.gz KVLIBFKJJRVMBR-FQEVSTJZSA-N 1 1 384.505 2.831 40 0 GFABMO Cc1c2ccc(C)cc2oc1C(=O)N(C)[C@@H]1CCC[C@@H]([NH+]2CCOCC2)[C@@H]1O ZINC000585269189 570237280 /nfs/dbraw/zinc/23/72/80/570237280.db2.gz ZGKZOZZWXPMJHP-QWFCFKBJSA-N 1 1 386.492 2.736 40 0 GFABMO CC(C)[N@@H+](Cc1ccccc1)C[C@@]1(O)CN(C(=O)c2ccccc2)CC[C@@H]1O ZINC000585285595 570255237 /nfs/dbraw/zinc/25/52/37/570255237.db2.gz QVGMQCHRALFEAG-GMAHTHKFSA-N 1 1 382.504 2.535 40 0 GFABMO C[N@H+](Cc1cccc(CN2CCOCC2)c1)C[C@@H](O)Cn1ccc2ccccc21 ZINC000257290069 570489039 /nfs/dbraw/zinc/48/90/39/570489039.db2.gz QBLLRXBAYLIGKI-HSZRJFAPSA-N 1 1 393.531 2.966 40 0 GFABMO COc1nc(C)c(CC(=O)N2CC[NH+]([C@H](C)c3ccc(C)cc3)CC2)c(OC)n1 ZINC000036741146 570569496 /nfs/dbraw/zinc/56/94/96/570569496.db2.gz LQBKIXRPOBKPLS-QGZVFWFLSA-N 1 1 398.507 2.559 40 0 GFABMO Cc1csc(Nc2cc(C)[nH+]c([C@@H]3CN(C(=O)C(C)(C)O)CCO3)c2)n1 ZINC000257213895 570761642 /nfs/dbraw/zinc/76/16/42/570761642.db2.gz CJOQIHHBOUQIQS-HNNXBMFYSA-N 1 1 376.482 2.569 40 0 GFABMO COCCOCC(=O)N1[C@@H]2CCC[C@@H]3[N@@H+](C)[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257338064 570784003 /nfs/dbraw/zinc/78/40/03/570784003.db2.gz YVQJKGHVMVAMDW-XANJAXJYSA-N 1 1 386.536 2.734 40 0 GFABMO COCC[N@H+]1C[C@@H](COC)C2(C1)CCN(C(=O)c1ccc(F)cc1C)CC2 ZINC000585102910 570931178 /nfs/dbraw/zinc/93/11/78/570931178.db2.gz HXDGYSUQTVGOST-KRWDZBQOSA-N 1 1 378.488 2.581 40 0 GFABMO O=C(N[C@@H]1c2ccccc2[C@@H]2C[N@H+](Cc3cccc(F)c3)C[C@@H]21)C1CC(O)C1 ZINC000585109775 570938807 /nfs/dbraw/zinc/93/88/07/570938807.db2.gz SILPZSIJFIPYBB-PCBHJHNVSA-N 1 1 380.463 2.983 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@@H+](Cc4cccnc4)C[C@H]32)cs1 ZINC000306133206 570940983 /nfs/dbraw/zinc/94/09/83/570940983.db2.gz MFCHAOOKZHYQOC-RBUKOAKNSA-N 1 1 379.489 2.730 40 0 GFABMO Cc1nc(CN2C(=O)c3cccn3[C@H]3C[N@H+](Cc4cccnc4)C[C@H]32)cs1 ZINC000306133206 570940985 /nfs/dbraw/zinc/94/09/85/570940985.db2.gz MFCHAOOKZHYQOC-RBUKOAKNSA-N 1 1 379.489 2.730 40 0 GFABMO O=C1N(Cc2ccsc2)CCO[C@]12C[N@H+](C1CCC1)C[C@@H]2c1cccnc1 ZINC000306141423 570945306 /nfs/dbraw/zinc/94/53/06/570945306.db2.gz VVQFIAMMUKICLE-CTNGQTDRSA-N 1 1 383.517 2.893 40 0 GFABMO Cc1[nH+]ccn1CCC(=O)N[C@@H]1C[C@]2(CCC(=O)N(C)CC2)Oc2ccccc21 ZINC000019288059 570970606 /nfs/dbraw/zinc/97/06/06/570970606.db2.gz AVLWEOOUUBKIGO-XMSQKQJNSA-N 1 1 396.491 2.603 40 0 GFABMO O=C(c1cc([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)no1)N1CCC(O)CC1 ZINC000019334009 570975431 /nfs/dbraw/zinc/97/54/31/570975431.db2.gz WPIDWYXHDVDHCT-MRXNPFEDSA-N 1 1 387.455 2.790 40 0 GFABMO O=C(NCc1ccncc1)c1cc([C@@H]2CCC[N@@H+](Cc3ccccn3)C2)no1 ZINC000019401689 570982898 /nfs/dbraw/zinc/98/28/98/570982898.db2.gz PUZKCQXGPOGINM-QGZVFWFLSA-N 1 1 377.448 2.774 40 0 GFABMO C[C@@H]1Cc2cc(C(=O)N3CCC[C@@H]3c3ncc4c(n3)CC[N@H+](C)C4)ccc2O1 ZINC000019497937 570990264 /nfs/dbraw/zinc/99/02/64/570990264.db2.gz BRKMZUWTHFBZSO-AUUYWEPGSA-N 1 1 378.476 2.765 40 0 GFABMO CCCCn1cc(C[N@H+]2CCc3nc(-c4ccncc4)[nH]c(=O)c3CC2)c(C)n1 ZINC000019502434 570993428 /nfs/dbraw/zinc/99/34/28/570993428.db2.gz HOKAOMAKHURMKG-UHFFFAOYSA-N 1 1 392.507 2.738 40 0 GFABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1nc2ccccc2n1Cc1ccccc1 ZINC000019575353 571011863 /nfs/dbraw/zinc/01/18/63/571011863.db2.gz XHCALFYQEZPZDG-MISYRCLQSA-N 1 1 376.504 2.724 40 0 GFABMO Cc1nccn1C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-n3ccnc3)cc2)C1 ZINC000019657948 571024565 /nfs/dbraw/zinc/02/45/65/571024565.db2.gz VTMWOZNBGLERHD-SFHVURJKSA-N 1 1 378.480 2.728 40 0 GFABMO CC(C)[C@H](CNC(=O)C1(c2ccc(Cl)cc2)CCOCC1)[NH+]1CCOCC1 ZINC000019662551 571026517 /nfs/dbraw/zinc/02/65/17/571026517.db2.gz FGQZQSGOHWJMLW-IBGZPJMESA-N 1 1 394.943 2.861 40 0 GFABMO C[C@]1(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)CC(c2ccccc2F)=NO1 ZINC000019714013 571035577 /nfs/dbraw/zinc/03/55/77/571035577.db2.gz ORGSPOXEQOXNLS-JOCHJYFZSA-N 1 1 396.466 2.838 40 0 GFABMO C[C@]1(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)CC(c2ccccc2F)=NO1 ZINC000019714013 571035580 /nfs/dbraw/zinc/03/55/80/571035580.db2.gz ORGSPOXEQOXNLS-JOCHJYFZSA-N 1 1 396.466 2.838 40 0 GFABMO COc1cc2c(cc1OC)C[N@H+](C[C@@H](C)N1C(=O)c3ccccc3C1=O)CC2 ZINC000001063780 212212463 /nfs/dbraw/zinc/21/24/63/212212463.db2.gz WQMSBOMDUUDBEU-CQSZACIVSA-N 1 1 380.444 2.747 40 0 GFABMO COc1cc2c(cc1OC)C[N@@H+](C[C@@H](C)N1C(=O)c3ccccc3C1=O)CC2 ZINC000001063780 212212466 /nfs/dbraw/zinc/21/24/66/212212466.db2.gz WQMSBOMDUUDBEU-CQSZACIVSA-N 1 1 380.444 2.747 40 0 GFABMO CCn1c2ccccc2nc1N1CCC(C(=O)NC[C@@H]2CCC[N@H+]2CC)CC1 ZINC000012116399 221151980 /nfs/dbraw/zinc/15/19/80/221151980.db2.gz XLTSBSUEIFNQBU-SFHVURJKSA-N 1 1 383.540 2.873 40 0 GFABMO O=c1ccc(C2CC2)nn1CC1(O)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(F)c1 ZINC000012366338 221184312 /nfs/dbraw/zinc/18/43/12/221184312.db2.gz IFABXGHSNJZFHP-QIDMFYOTSA-N 1 1 383.467 2.818 40 0 GFABMO CS(=O)(=O)N1CCc2cc([C@H](O)C[N@H+]3CC[C@@H]4CCCC[C@@H]4C3)ccc21 ZINC000012180998 221161580 /nfs/dbraw/zinc/16/15/80/221161580.db2.gz SQFQHBRYJDGHQJ-QKYXUNIQSA-N 1 1 378.538 2.554 40 0 GFABMO CCc1nn2c(nnc(C(=O)N3CC[NH+](CC)CC3)c2C)c1-c1ccc(F)cc1 ZINC000014607693 221313426 /nfs/dbraw/zinc/31/34/26/221313426.db2.gz JGSDZDOJLMYNCD-UHFFFAOYSA-N 1 1 396.470 2.579 40 0 GFABMO Cc1cc(=O)n2c(n1)NC(NCc1ccc(Cl)cc1)=[NH+][C@@H]2c1cccnc1 ZINC000014607532 221313773 /nfs/dbraw/zinc/31/37/73/221313773.db2.gz XFXCCGYVXZYDBK-KRWDZBQOSA-N 1 1 380.839 2.718 40 0 GFABMO CC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)C[N@H+]2CC(=O)N1CCC1 ZINC000019017541 221393551 /nfs/dbraw/zinc/39/35/51/221393551.db2.gz GPDWHBNOKUNZER-VWPQPMDRSA-N 1 1 387.499 2.617 40 0 GFABMO CCCN1C(=O)CCc2c(C)nc(C3CC[NH+](Cc4ccnn4C)CC3)nc21 ZINC000019739359 221449584 /nfs/dbraw/zinc/44/95/84/221449584.db2.gz CGIDNDFRESRNLW-UHFFFAOYSA-N 1 1 382.512 2.587 40 0 GFABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@@H+](Cc1ccsc1)C2 ZINC000096051298 136183504 /nfs/dbraw/zinc/18/35/04/136183504.db2.gz CBHVOWKTBCYPQJ-LJQANCHMSA-N 1 1 376.453 2.522 40 0 GFABMO O=C1CO[C@]2(CN1c1ccc(F)cc1)COCC[N@H+](Cc1ccsc1)C2 ZINC000096051298 136183503 /nfs/dbraw/zinc/18/35/03/136183503.db2.gz CBHVOWKTBCYPQJ-LJQANCHMSA-N 1 1 376.453 2.522 40 0 GFABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@H+](CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000100135248 136189043 /nfs/dbraw/zinc/18/90/43/136189043.db2.gz ATDHLXQROIJYSZ-ZOBUZTSGSA-N 1 1 398.551 2.878 40 0 GFABMO C[C@H]1CN(c2nc3c(c(=O)[nH]2)CC[N@@H+](CC2=C4C[C@H](CC2)C4(C)C)C3)C[C@H](C)O1 ZINC000100135248 136189044 /nfs/dbraw/zinc/18/90/44/136189044.db2.gz ATDHLXQROIJYSZ-ZOBUZTSGSA-N 1 1 398.551 2.878 40 0 GFABMO NC(=O)c1cccc(-c2cnc(N)nc2[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c1 ZINC000072345962 222232698 /nfs/dbraw/zinc/23/26/98/222232698.db2.gz JXAUFCXKDBZSSB-GOSISDBHSA-N 1 1 388.475 2.599 40 0 GFABMO COCCn1c(C(=O)N2CC[NH+](C(C)C)CC2)cc2c1c1ccccc1n2C ZINC000096037250 222372989 /nfs/dbraw/zinc/37/29/89/222372989.db2.gz NZRCNBOQPVEKOT-UHFFFAOYSA-N 1 1 382.508 2.946 40 0 GFABMO CC(C)C[N@H+]1C[C@@H]2C[C@@H](O)CN2C2(CN(Cc3ccc(C(F)(F)F)cc3)C2)C1 ZINC000514288519 560034914 /nfs/dbraw/zinc/03/49/14/560034914.db2.gz BWRFWQYZPZEDSQ-RBUKOAKNSA-N 1 1 397.485 2.667 40 0 biogenic,in-vitro GFABMO Cc1nc(N(C)C)cc(CC2CCN(C(=O)COc3ccc(F)cc3)CC2)[nH+]1 ZINC000019758716 570216317 /nfs/dbraw/zinc/21/63/17/570216317.db2.gz ISPBMAUGZMLASC-UHFFFAOYSA-N 1 1 386.471 2.850 40 0 GFABMO C[N@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C[C@H](O)COc1ccccc1 ZINC000585262549 570230804 /nfs/dbraw/zinc/23/08/04/570230804.db2.gz RRRFYJGXOQJPCX-FQEVSTJZSA-N 1 1 398.503 2.560 40 0 GFABMO O=C(C[NH+]1CCC(O)(c2cccc(F)c2)CC1)NCCc1c[nH]c2ccccc12 ZINC000004967764 570654738 /nfs/dbraw/zinc/65/47/38/570654738.db2.gz ORDLEVWTUCIPAA-UHFFFAOYSA-N 1 1 395.478 2.949 40 0 GFABMO COC[C@H]1C[N@@H+](Cc2ccsc2)CC12CCN(C(=O)c1cocn1)CC2 ZINC000247832751 570716532 /nfs/dbraw/zinc/71/65/32/570716532.db2.gz HYQPSKMQAGNTDK-MRXNPFEDSA-N 1 1 375.494 2.737 40 0 GFABMO CCC[C@@H](c1nnnn1C[C@H]1CCCO1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019501893 570927243 /nfs/dbraw/zinc/92/72/43/570927243.db2.gz CFTKGYMFAFACMO-UXHICEINSA-N 1 1 384.528 2.511 40 0 GFABMO Cc1ccc(C(=O)N2CCC3(CO[C@@H](C[N@H+]4CCC[C@H](O)C4)C3)CC2)cc1F ZINC000585103023 570931747 /nfs/dbraw/zinc/93/17/47/570931747.db2.gz BHGBGFTZRMXRGX-RBUKOAKNSA-N 1 1 390.499 2.602 40 0 GFABMO CCc1ccccc1C(=O)N1CCC2(CO[C@@H](C[N@H+]3CCC[C@H]3CO)C2)CC1 ZINC000585104876 570934267 /nfs/dbraw/zinc/93/42/67/570934267.db2.gz VCVTZHWHZILEPY-VQTJNVASSA-N 1 1 386.536 2.717 40 0 GFABMO Cc1cccc(C[NH+]2CCN(c3nccn4c(-c5ccncc5)cnc34)CC2)n1 ZINC000306125197 570936188 /nfs/dbraw/zinc/93/61/88/570936188.db2.gz CIXOXWSNBHSGGY-UHFFFAOYSA-N 1 1 385.475 2.817 40 0 GFABMO O=c1nc2n(c3c1CN(Cc1ccccc1)CC3)CC[C@]21CC[N@@H+](CC2CC2)C1 ZINC000306130465 570939117 /nfs/dbraw/zinc/93/91/17/570939117.db2.gz JHHDIBHJEJQBPR-DEOSSOPVSA-N 1 1 390.531 2.559 40 0 GFABMO C[N@H+](Cc1cccnc1)C[C@@H]1CCC2(CN(C(=O)C3CC(F)(F)C3)C2)OC1 ZINC000306132127 570940529 /nfs/dbraw/zinc/94/05/29/570940529.db2.gz KZPQLDUQCZQPLZ-INIZCTEOSA-N 1 1 379.451 2.566 40 0 GFABMO C[N@@H+]1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccsc1)C2 ZINC000306134849 570941552 /nfs/dbraw/zinc/94/15/52/570941552.db2.gz NZQUXYWOUUZYOM-AWEZNQCLSA-N 1 1 375.469 2.898 40 0 GFABMO C[N@H+]1CC[C@H](COc2ncccc2F)CC12CN(C(=O)c1ccsc1)C2 ZINC000306134849 570941555 /nfs/dbraw/zinc/94/15/55/570941555.db2.gz NZQUXYWOUUZYOM-AWEZNQCLSA-N 1 1 375.469 2.898 40 0 GFABMO O=C1N(CC2CC2)CCO[C@@]12C[N@@H+](Cc1ccsc1)C[C@@H]2c1cccnc1 ZINC000306145111 570946742 /nfs/dbraw/zinc/94/67/42/570946742.db2.gz ZYKYTVFMTKOQFP-TZIWHRDSSA-N 1 1 383.517 2.750 40 0 GFABMO CC(=O)N1CCc2nc([C@@H]3CC[N@@H+](CCCOc4ccc(C)cc4)C3)ncc2C1 ZINC000019211019 570960562 /nfs/dbraw/zinc/96/05/62/570960562.db2.gz GMPLNUKTHVXONJ-LJQANCHMSA-N 1 1 394.519 2.948 40 0 GFABMO C[C@H]1CCc2onc(C(=O)N3CCC(c4ncc5c(n4)CC[N@H+](C)C5)CC3)c2C1 ZINC000019497112 570990055 /nfs/dbraw/zinc/99/00/55/570990055.db2.gz BRDVSACZVFASIP-AWEZNQCLSA-N 1 1 395.507 2.597 40 0 GFABMO C[C@@H]1Cc2cc(C(=O)N3CCC[C@H]3c3ncc4c(n3)CC[N@H+](C)C4)ccc2O1 ZINC000019497939 570990380 /nfs/dbraw/zinc/99/03/80/570990380.db2.gz BRKMZUWTHFBZSO-KUHUBIRLSA-N 1 1 378.476 2.765 40 0 GFABMO CC[C@H](C[NH+]1CCN(C)CC1)NC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000019500330 570992093 /nfs/dbraw/zinc/99/20/93/570992093.db2.gz XKDIQYPPIWPVTJ-QGZVFWFLSA-N 1 1 390.528 2.634 40 0 GFABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@H+](CC(=O)NC4CC4)C3)cc2N1 ZINC000019520802 570993951 /nfs/dbraw/zinc/99/39/51/570993951.db2.gz LDPQKVOLCWPZKP-YWPYICTPSA-N 1 1 385.434 2.649 40 0 GFABMO CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CC[N@@H+](CC(=O)NC4CC4)C3)cc2N1 ZINC000019520802 570993959 /nfs/dbraw/zinc/99/39/59/570993959.db2.gz LDPQKVOLCWPZKP-YWPYICTPSA-N 1 1 385.434 2.649 40 0 GFABMO CCOc1ccc(CC(=O)N2CCc3nc([C@@H]4CCC[N@@H+](C)C4)ncc3C2)cc1 ZINC000019533022 570999128 /nfs/dbraw/zinc/99/91/28/570999128.db2.gz XHUNEXGBMCXAIZ-GOSISDBHSA-N 1 1 394.519 2.812 40 0 GFABMO COc1cccc(OC)c1CN1C[C@@H]2C[C@@H](O)C[N@H+]2C[C@@H]1Cc1ccccc1 ZINC000019567125 571007901 /nfs/dbraw/zinc/00/79/01/571007901.db2.gz DPBOZEFYYMSDBZ-SLFFLAALSA-N 1 1 382.504 2.566 40 0 GFABMO COCCOc1cccc(C[N@H+]2CC[C@@H](c3nnc(-c4cnccn4)o3)C2)c1 ZINC000019593780 571020238 /nfs/dbraw/zinc/02/02/38/571020238.db2.gz WWVOHEWPHSGFPZ-MRXNPFEDSA-N 1 1 381.436 2.541 40 0 GFABMO C[N@@H+]1CCc2nnc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2CC1 ZINC000019710762 571034503 /nfs/dbraw/zinc/03/45/03/571034503.db2.gz IKXUJUHIMLAKSR-QGZVFWFLSA-N 1 1 387.915 2.716 40 0 GFABMO