smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc(C[NH2+]Cc2cnn(C)c2)n(C)n1 ZINC000084244165 178027275 /nfs/dbraw/zinc/02/72/75/178027275.db2.gz FTFXMPUHKLAXFR-UHFFFAOYSA-N 1 1 219.292 0.752 40 0 BCABMO CCN(CC)C[C@@H](O)C[NH2+]CC(C)C ZINC000005573164 342766349 /nfs/dbraw/zinc/76/63/49/342766349.db2.gz ZIFFYQPJTMNODT-NSHDSACASA-N 1 1 202.342 0.935 40 0 BCABMO CO[C@@H]1CC[C@H](O)[C@H](C(=O)C[NH+](C)C)C1 ZINC000004722606 342751162 /nfs/dbraw/zinc/75/11/62/342751162.db2.gz ZXDNAIGDURZJFE-BBBLOLIVSA-N 1 1 215.293 0.293 40 0 BCABMO C[NH2+]Cc1cnc(N2CCN(C)CC2)c(C)c1 ZINC000072222572 259320928 /nfs/dbraw/zinc/32/09/28/259320928.db2.gz JUKWGVKRKONDJM-UHFFFAOYSA-N 1 1 234.347 0.861 40 0 BCABMO Cc1[nH+]c(N2CCOCC2)ccc1CCO ZINC000072224610 259321889 /nfs/dbraw/zinc/32/18/89/259321889.db2.gz KSRFGNWREAPLTI-UHFFFAOYSA-N 1 1 222.288 0.761 40 0 BCABMO Cc1nc(N2CCN(C)CC2)ccc1C[NH3+] ZINC000072224642 259322162 /nfs/dbraw/zinc/32/21/62/259322162.db2.gz LEPBWUAWBFMTAQ-UHFFFAOYSA-N 1 1 220.320 0.601 40 0 BCABMO COC(=O)[C@H]([NH3+])Cc1c[nH]c2ccc(O)cc12 ZINC000014512168 342881656 /nfs/dbraw/zinc/88/16/56/342881656.db2.gz QOBUNYVBTXFCEZ-SNVBAGLBSA-N 1 1 234.255 0.916 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccnc1 ZINC000217667888 398322681 /nfs/dbraw/zinc/32/26/81/398322681.db2.gz ZJAMBIPSBQWOSV-MNOVXSKESA-N 1 1 220.272 0.900 40 0 BCABMO CC[NH+]1CCN(C(=O)Cc2cccc(N)c2)CC1 ZINC000020185891 342975293 /nfs/dbraw/zinc/97/52/93/342975293.db2.gz QLTYGGWKGJRGRE-UHFFFAOYSA-N 1 1 247.342 0.975 40 0 BCABMO COC(=O)C[C@@H](C)N1CC[NH+](C)CC1 ZINC000035751317 349718904 /nfs/dbraw/zinc/71/89/04/349718904.db2.gz VOUMWRQYTPYQJK-SECBINFHSA-N 1 1 200.282 0.185 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](O)C2)C1 ZINC000259007152 343129458 /nfs/dbraw/zinc/12/94/58/343129458.db2.gz HOBPYVULGBQAIM-GHMZBOCLSA-N 1 1 226.320 0.312 40 0 BCABMO COC(=O)[C@@H]1C[N@H+](C(C)C)CC[C@H]1O ZINC000259510442 343134656 /nfs/dbraw/zinc/13/46/56/343134656.db2.gz BYDDANVFDJIXNR-RKDXNWHRSA-N 1 1 201.266 0.251 40 0 BCABMO COC(=O)[C@H]1C[N@H+](C(C)C)CC[C@H]1O ZINC000259510438 343134917 /nfs/dbraw/zinc/13/49/17/343134917.db2.gz BYDDANVFDJIXNR-DTWKUNHWSA-N 1 1 201.266 0.251 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CC(C)C)CC[C@@H]1O ZINC000259667106 343137418 /nfs/dbraw/zinc/13/74/18/343137418.db2.gz ALKTVBNPPKMOSL-ZJUUUORDSA-N 1 1 215.293 0.498 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CC(C)C)CC[C@H]1O ZINC000259667095 343137824 /nfs/dbraw/zinc/13/78/24/343137824.db2.gz ALKTVBNPPKMOSL-NXEZZACHSA-N 1 1 215.293 0.498 40 0 BCABMO COC(=O)c1cccc(NC(=O)C[NH+](C)C)c1 ZINC000014152882 136274851 /nfs/dbraw/zinc/27/48/51/136274851.db2.gz UAXLAZVTMJMHAE-UHFFFAOYSA-N 1 1 236.271 0.973 40 0 BCABMO CC[NH+](CC)CCN[C@H](C)CC(=O)OC ZINC000035748247 343303636 /nfs/dbraw/zinc/30/36/36/343303636.db2.gz GQXDIZLAPOHBPH-SNVBAGLBSA-N 1 1 216.325 0.869 40 0 BCABMO CC(=O)N1CCC(C[N@H+](C)CCN)CC1 ZINC000079422658 187263685 /nfs/dbraw/zinc/26/36/85/187263685.db2.gz HUZDTBNRXCSKHS-UHFFFAOYSA-N 1 1 213.325 0.135 40 0 BCABMO CC(=O)N1CCC(C[N@@H+](C)CCN)CC1 ZINC000079422658 187263686 /nfs/dbraw/zinc/26/36/86/187263686.db2.gz HUZDTBNRXCSKHS-UHFFFAOYSA-N 1 1 213.325 0.135 40 0 BCABMO C[NH2+][C@H](CN)c1ccc(OC)c(OC)c1 ZINC000050269857 259369663 /nfs/dbraw/zinc/36/96/63/259369663.db2.gz MPHMEMJPCGSJKD-SECBINFHSA-N 1 1 210.277 0.923 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc(OC)cc1 ZINC000096525959 343759469 /nfs/dbraw/zinc/75/94/69/343759469.db2.gz BZKNPULKHGDIRV-WDEREUQCSA-N 1 1 220.272 0.926 40 0 BCABMO OCc1cn(C[C@H]2CCCC[N@@H+]2CCF)nn1 ZINC000409428067 343802618 /nfs/dbraw/zinc/80/26/18/343802618.db2.gz YQZIBTJUIBUIBJ-LLVKDONJSA-N 1 1 242.298 0.594 40 0 BCABMO OCc1cn(C[C@H]2CCCC[N@H+]2CCF)nn1 ZINC000409428067 343802619 /nfs/dbraw/zinc/80/26/19/343802619.db2.gz YQZIBTJUIBUIBJ-LLVKDONJSA-N 1 1 242.298 0.594 40 0 BCABMO C[C@H]1CN(c2ccc(N)c[nH+]2)CC[C@@H]1O ZINC000126761328 343786683 /nfs/dbraw/zinc/78/66/83/343786683.db2.gz XZEWZDYOOIDWGW-WPRPVWTQSA-N 1 1 207.277 0.871 40 0 BCABMO CNc1cc(NCCN2CCOCC2)nc[nH+]1 ZINC000128600634 343787705 /nfs/dbraw/zinc/78/77/05/343787705.db2.gz GYVKOUUDFVDJBE-UHFFFAOYSA-N 1 1 237.307 0.262 40 0 BCABMO COC[C@@H]1C[N@@H+](CCO)C[C@H]1C(F)(F)F ZINC000409427441 343801140 /nfs/dbraw/zinc/80/11/40/343801140.db2.gz FGCUVEBBVUAAKL-JGVFFNPUSA-N 1 1 227.226 0.735 40 0 BCABMO COC[C@H]1C[N@@H+](CCO)C[C@@H]1C(F)(F)F ZINC000409427442 343801261 /nfs/dbraw/zinc/80/12/61/343801261.db2.gz FGCUVEBBVUAAKL-SFYZADRCSA-N 1 1 227.226 0.735 40 0 BCABMO CC[N@H+]1CCC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409427750 343801824 /nfs/dbraw/zinc/80/18/24/343801824.db2.gz XPLVGKPQMULJQF-SNVBAGLBSA-N 1 1 222.292 0.823 40 0 BCABMO COCCN1CCOc2ccc(C[NH3+])cc2C1 ZINC000409423614 343815824 /nfs/dbraw/zinc/81/58/24/343815824.db2.gz SZHVOIJXPQICLZ-UHFFFAOYSA-N 1 1 236.315 0.986 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CC2CC2)CC[C@H]1O ZINC000409423752 343815906 /nfs/dbraw/zinc/81/59/06/343815906.db2.gz USQIXVGBMPVIKR-NXEZZACHSA-N 1 1 213.277 0.252 40 0 BCABMO O=Cc1cn(C[C@H]2CCC[N@H+]2CC2CC2)nn1 ZINC000409424183 343817153 /nfs/dbraw/zinc/81/71/53/343817153.db2.gz FMVYCWDCMAWCRB-GFCCVEGCSA-N 1 1 234.303 0.965 40 0 BCABMO CC(C)C[NH+]1CC(n2cc(C=O)nn2)C1 ZINC000409425086 343818083 /nfs/dbraw/zinc/81/80/83/343818083.db2.gz JOXJYNBJLZCGOJ-UHFFFAOYSA-N 1 1 208.265 0.603 40 0 BCABMO C[C@@H](O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409425149 343818281 /nfs/dbraw/zinc/81/82/81/343818281.db2.gz FFFIXTAJALOUFL-MNOVXSKESA-N 1 1 212.337 0.831 40 0 BCABMO O[C@H]1CCO[C@]2(CCN(C3CC[NH2+]CC3)C2)C1 ZINC000409432021 343825314 /nfs/dbraw/zinc/82/53/14/343825314.db2.gz KNFZAUSMOIKRHA-QWHCGFSZSA-N 1 1 240.347 0.354 40 0 BCABMO CCOC[C@@H]1C[N@H+](CCN)CC1(C)C ZINC000409432649 343827012 /nfs/dbraw/zinc/82/70/12/343827012.db2.gz LMPBQVVEXOHSNO-JTQLQIEISA-N 1 1 200.326 0.940 40 0 BCABMO CCOC[C@@H]1C[N@@H+](CCN)CC1(C)C ZINC000409432649 343827013 /nfs/dbraw/zinc/82/70/13/343827013.db2.gz LMPBQVVEXOHSNO-JTQLQIEISA-N 1 1 200.326 0.940 40 0 BCABMO Nc1ccc[nH+]c1N1CC(F)(F)C[C@@H]1CO ZINC000409429083 343804665 /nfs/dbraw/zinc/80/46/65/343804665.db2.gz HJEJDAMFILFUBS-SSDOTTSWSA-N 1 1 229.230 0.870 40 0 BCABMO Nc1cc(N2CCC3(CC2)OCCO3)nc[nH+]1 ZINC000409430527 343808771 /nfs/dbraw/zinc/80/87/71/343808771.db2.gz MEPFOOGIMULQQS-UHFFFAOYSA-N 1 1 236.275 0.402 40 0 BCABMO CNc1cc(N2CC(O)C2)[nH+]c(C2CC2)n1 ZINC000383963659 343810196 /nfs/dbraw/zinc/81/01/96/343810196.db2.gz GKRMLWAHDHKYMF-UHFFFAOYSA-N 1 1 220.276 0.577 40 0 BCABMO NCC(=O)N[C@H]1CCC[C@H]1[NH+]1CCCC1 ZINC000409441191 343855662 /nfs/dbraw/zinc/85/56/62/343855662.db2.gz NSQGPBFSHAZUEP-VHSXEESVSA-N 1 1 211.309 0.078 40 0 BCABMO CCO[C@@H]1CN(c2[nH+]cccc2N)C[C@H]1OC ZINC000409434405 343831644 /nfs/dbraw/zinc/83/16/44/343831644.db2.gz PBHMHOWBKGGYRC-GHMZBOCLSA-N 1 1 237.303 0.904 40 0 BCABMO CO[C@H]1CCO[C@]2(CC[N@@H+](CCO)C2)C1 ZINC000409435056 343835778 /nfs/dbraw/zinc/83/57/78/343835778.db2.gz SCTJRWBKJZWMRO-WDEREUQCSA-N 1 1 215.293 0.249 40 0 BCABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](CO)C2)CC1 ZINC000575617484 343869871 /nfs/dbraw/zinc/86/98/71/343869871.db2.gz HCYAOZIIRQPOOZ-GFCCVEGCSA-N 1 1 240.347 0.702 40 0 BCABMO CNC(=O)C[C@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000585112263 344136755 /nfs/dbraw/zinc/13/67/55/344136755.db2.gz NYFUZDIQVRAEPD-LBPRGKRZSA-N 1 1 248.330 0.786 40 0 BCABMO CNC(=O)C[C@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112263 344136756 /nfs/dbraw/zinc/13/67/56/344136756.db2.gz NYFUZDIQVRAEPD-LBPRGKRZSA-N 1 1 248.330 0.786 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)[C@H](O)[C@H]1CCC[N@@H+]12 ZINC000085398564 344527652 /nfs/dbraw/zinc/52/76/52/344527652.db2.gz GRLNGRUGXJVCJH-OOCWMUITSA-N 1 1 239.315 0.783 40 0 BCABMO CC(C)CN1CCN(C(=O)CC[NH3+])CC1 ZINC000002599572 346514308 /nfs/dbraw/zinc/51/43/08/346514308.db2.gz ICNAZYFNVCVMRJ-UHFFFAOYSA-N 1 1 213.325 0.135 40 0 BCABMO C[N@@H+](C1CC1)[C@@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101677030 347287281 /nfs/dbraw/zinc/28/72/81/347287281.db2.gz SUSXUPCMBSPIBV-GHMZBOCLSA-N 1 1 225.336 0.467 40 0 BCABMO CCCCCCOC[C@H](O)C[NH2+]CCN ZINC000019368991 347322038 /nfs/dbraw/zinc/32/20/38/347322038.db2.gz ZFVBGANAPWXECO-LLVKDONJSA-N 1 1 218.341 0.493 40 0 BCABMO Cc1nn(C)c(F)c1C[NH2+]Cc1cnn(C)c1 ZINC000256050523 180351484 /nfs/dbraw/zinc/35/14/84/180351484.db2.gz FIXXLTCMAUKUAC-UHFFFAOYSA-N 1 1 237.282 0.891 40 0 BCABMO C[N@H+]1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000409423712 350474716 /nfs/dbraw/zinc/47/47/16/350474716.db2.gz CTVCPVCLWMCRLZ-VIFPVBQESA-N 1 1 210.281 0.112 40 0 BCABMO CCO[C@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1OC ZINC000409436464 350478732 /nfs/dbraw/zinc/47/87/32/350478732.db2.gz ZYRBACGLEVWBBA-QWRGUYRKSA-N 1 1 237.303 0.904 40 0 BCABMO CC[N@@H+]1CCC[C@@]1(C(=O)NC)c1cnccn1 ZINC000257286481 351044704 /nfs/dbraw/zinc/04/47/04/351044704.db2.gz PLSYGVZEXAFUGV-LBPRGKRZSA-N 1 1 234.303 0.534 40 0 BCABMO CC[N@H+]1CCC[C@@]1(C(=O)NC)c1cnccn1 ZINC000257286481 351044709 /nfs/dbraw/zinc/04/47/09/351044709.db2.gz PLSYGVZEXAFUGV-LBPRGKRZSA-N 1 1 234.303 0.534 40 0 BCABMO C[N@@H+](CCO)C[C@H]1COc2ccccc2O1 ZINC000001698076 363067806 /nfs/dbraw/zinc/06/78/06/363067806.db2.gz NUOABGIIYNJJBX-JTQLQIEISA-N 1 1 223.272 0.751 40 0 BCABMO CC(=O)N1CC[C@@H]([N@@H+](CCO)C2CC2)C1 ZINC000079405459 188292126 /nfs/dbraw/zinc/29/21/26/188292126.db2.gz NKSBJISOMADKDY-LLVKDONJSA-N 1 1 212.293 0.064 40 0 BCABMO COc1ccc([C@@H]([NH3+])c2ncn(C)n2)cc1OC ZINC000095533920 188319950 /nfs/dbraw/zinc/31/99/50/188319950.db2.gz JLTFTRIZQFODGR-LLVKDONJSA-N 1 1 248.286 0.880 40 0 BCABMO NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000257268419 181230871 /nfs/dbraw/zinc/23/08/71/181230871.db2.gz MLPZQUNEBBKKHD-SNVBAGLBSA-N 1 1 205.261 0.704 40 0 BCABMO NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000257268419 181230875 /nfs/dbraw/zinc/23/08/75/181230875.db2.gz MLPZQUNEBBKKHD-SNVBAGLBSA-N 1 1 205.261 0.704 40 0 BCABMO NC(=O)[C@@]1(c2cnccn2)CCC[N@@H+]1CC1CC1 ZINC000257221852 181277167 /nfs/dbraw/zinc/27/71/67/181277167.db2.gz DQUQGTAZQCNXKN-ZDUSSCGKSA-N 1 1 246.314 0.663 40 0 BCABMO NC(=O)[C@@]1(c2cnccn2)CCC[N@H+]1CC1CC1 ZINC000257221852 181277169 /nfs/dbraw/zinc/27/71/69/181277169.db2.gz DQUQGTAZQCNXKN-ZDUSSCGKSA-N 1 1 246.314 0.663 40 0 BCABMO COC(=O)[C@@H]([NH3+])Cc1ccc(OC)cc1 ZINC000031961986 358448868 /nfs/dbraw/zinc/44/88/68/358448868.db2.gz USYGMXDJUAQNGU-JTQLQIEISA-N 1 1 209.245 0.738 40 0 BCABMO COCC(=O)NCCC[N@H+]1CCC[C@H](C)C1 ZINC000046961251 368332162 /nfs/dbraw/zinc/33/21/62/368332162.db2.gz YDYJZEUMLKPPSN-NSHDSACASA-N 1 1 228.336 0.871 40 0 BCABMO CC(=O)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000200724211 368910214 /nfs/dbraw/zinc/91/02/14/368910214.db2.gz DRTLSCYLPPGVPH-LLVKDONJSA-N 1 1 212.293 0.064 40 0 BCABMO CN1CC[C@@H]([NH3+])[C@H](Cc2ccncc2)C1 ZINC000074188496 369869055 /nfs/dbraw/zinc/86/90/55/369869055.db2.gz DLDOHIRLUOCARN-VXGBXAGGSA-N 1 1 205.305 0.903 40 0 BCABMO O=C([C@@H]1CC[NH2+]C1)N1CCN(CC2CC2)CC1 ZINC000062115079 182621823 /nfs/dbraw/zinc/62/18/23/182621823.db2.gz JVXDUJGYTOSWHO-GFCCVEGCSA-N 1 1 237.347 0.150 40 0 BCABMO OCC[N@H+]1CCCC[C@H]1c1cnccn1 ZINC000072382228 183073279 /nfs/dbraw/zinc/07/32/79/183073279.db2.gz DKUDXOJBRCCHMQ-NSHDSACASA-N 1 1 207.277 0.996 40 0 BCABMO OC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000040571797 183129172 /nfs/dbraw/zinc/12/91/72/183129172.db2.gz JSZNWUQCOLGFNL-RYUDHWBXSA-N 1 1 207.273 0.614 40 0 BCABMO O[C@H]1CCC[C@H]2C[N@H+]([C@H]3CCOC3)C[C@H]21 ZINC000306138530 183238465 /nfs/dbraw/zinc/23/84/65/183238465.db2.gz RZWNLQCBKAWVHP-YFKTTZPYSA-N 1 1 211.305 0.868 40 0 BCABMO CCCN1CCN(C(=O)C2CC[NH2+]CC2)CC1 ZINC000019410222 169201931 /nfs/dbraw/zinc/20/19/31/169201931.db2.gz RXRLUKJLBUCGEY-UHFFFAOYSA-N 1 1 239.363 0.540 40 0 BCABMO CCC[N@H+]1CCc2nc(N)[nH]c(=O)c2C1 ZINC000049474139 169209477 /nfs/dbraw/zinc/20/94/77/169209477.db2.gz ZOAIMXSGQDGHMI-UHFFFAOYSA-N 1 1 208.265 0.120 40 0 BCABMO CC(=O)N1CCC(C[N@@H+](CCO)C2CC2)CC1 ZINC000079405519 384133831 /nfs/dbraw/zinc/13/38/31/384133831.db2.gz CEQRNYHVEBLUHW-UHFFFAOYSA-N 1 1 240.347 0.702 40 0 BCABMO CC(=O)NC1CCC([N@@H+](C)CCO)CC1 ZINC000079405306 384134274 /nfs/dbraw/zinc/13/42/74/384134274.db2.gz KRXCTBFKBHRNGO-UHFFFAOYSA-N 1 1 214.309 0.358 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@@H+](C)CCO)C1 ZINC000079405295 384132362 /nfs/dbraw/zinc/13/23/62/384132362.db2.gz UPHGGGVDZBFAJD-LLVKDONJSA-N 1 1 214.309 0.169 40 0 BCABMO CC(=O)N1CCC[C@@H](C[N@@H+](C)CCO)C1 ZINC000079405299 384132810 /nfs/dbraw/zinc/13/28/10/384132810.db2.gz UPHGGGVDZBFAJD-NSHDSACASA-N 1 1 214.309 0.169 40 0 BCABMO CC[N@@H+](CCO)CC1CCN(C(C)=O)CC1 ZINC000079405370 384133075 /nfs/dbraw/zinc/13/30/75/384133075.db2.gz YAAALZJMTLDRIS-UHFFFAOYSA-N 1 1 228.336 0.559 40 0 BCABMO CC(=O)N(C[C@@H]1CC[N@@H+](CCO)C1)C(C)C ZINC000079416500 384139704 /nfs/dbraw/zinc/13/97/04/384139704.db2.gz CQMUSBWYYIBFFA-GFCCVEGCSA-N 1 1 228.336 0.558 40 0 BCABMO C[N@@H+](C[C@H]1CC[NH+](CC(=O)[O-])C1)C1CC1 ZINC000079419780 384144798 /nfs/dbraw/zinc/14/47/98/384144798.db2.gz LHSFHHQBDTZITQ-SECBINFHSA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+](C[C@H]1CC[N@H+](CC(=O)[O-])C1)C1CC1 ZINC000079419780 384144806 /nfs/dbraw/zinc/14/48/06/384144806.db2.gz LHSFHHQBDTZITQ-SECBINFHSA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+](C[C@H]1CC[N@@H+](CC(=O)[O-])C1)C1CC1 ZINC000079419780 384144814 /nfs/dbraw/zinc/14/48/14/384144814.db2.gz LHSFHHQBDTZITQ-SECBINFHSA-N 1 1 212.293 0.487 40 0 BCABMO Cn1cc2c(n1)[C@@H](C(N)=O)C[N@@H+](C1CCCC1)C2 ZINC000072352013 384211448 /nfs/dbraw/zinc/21/14/48/384211448.db2.gz NPJAJUCTFSQNOP-NSHDSACASA-N 1 1 248.330 0.747 40 0 BCABMO C[C@]1(C(N)=O)C[N@@H+](CC2CCC2)CCO1 ZINC000072379911 384217613 /nfs/dbraw/zinc/21/76/13/384217613.db2.gz PPPYRPLFBYGQRR-LLVKDONJSA-N 1 1 212.293 0.363 40 0 BCABMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000072397787 384221472 /nfs/dbraw/zinc/22/14/72/384221472.db2.gz GIHDFKDBCMZBHK-LLVKDONJSA-N 1 1 223.320 0.933 40 0 BCABMO C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000100177731 384282557 /nfs/dbraw/zinc/28/25/57/384282557.db2.gz YTNRKKINRUNGCM-AOOOYVTPSA-N 1 1 214.309 0.876 40 0 BCABMO COC(=O)[C@@H]1C[C@@H]2Cc3nc[nH]c3C[N@H+]2C1 ZINC000095828949 384399817 /nfs/dbraw/zinc/39/98/17/384399817.db2.gz GREJYKDLWQHLEN-HTQZYQBOSA-N 1 1 221.260 0.329 40 0 BCABMO COC(=O)[C@@H]1C[C@H]2Cc3nc[nH]c3C[N@H+]2C1 ZINC000095828951 384400584 /nfs/dbraw/zinc/40/05/84/384400584.db2.gz GREJYKDLWQHLEN-SFYZADRCSA-N 1 1 221.260 0.329 40 0 BCABMO COC(=O)[C@H]1C[C@@H]2Cc3nc[nH]c3C[N@H+]2C1 ZINC000095828950 384401025 /nfs/dbraw/zinc/40/10/25/384401025.db2.gz GREJYKDLWQHLEN-JGVFFNPUSA-N 1 1 221.260 0.329 40 0 BCABMO c1cncc(CO[C@H]2C[C@@H]3CNCC[N@@H+]3C2)c1 ZINC000096511349 384460893 /nfs/dbraw/zinc/46/08/93/384460893.db2.gz RDRYQRIXBSDCNR-OLZOCXBDSA-N 1 1 233.315 0.644 40 0 BCABMO c1cncc(CO[C@H]2C[C@@H]3CNCC[N@H+]3C2)c1 ZINC000096511349 384460901 /nfs/dbraw/zinc/46/09/01/384460901.db2.gz RDRYQRIXBSDCNR-OLZOCXBDSA-N 1 1 233.315 0.644 40 0 BCABMO COCCN(CCC[NH3+])CCc1ccncc1 ZINC000071224244 384731563 /nfs/dbraw/zinc/73/15/63/384731563.db2.gz KTSZWZGVLDBTKM-UHFFFAOYSA-N 1 1 237.347 0.921 40 0 BCABMO O=C([C@@H]1COCC[NH2+]1)N1CCCCCC1 ZINC000083871950 384911802 /nfs/dbraw/zinc/91/18/02/384911802.db2.gz VWZURGPMGQTHHP-JTQLQIEISA-N 1 1 212.293 0.377 40 0 BCABMO CCOC(=O)[C@H](CN)C(C)(C)[NH+]1CCCC1 ZINC000072210409 385068748 /nfs/dbraw/zinc/06/87/48/385068748.db2.gz DSUZCXGFKNMLBK-JTQLQIEISA-N 1 1 228.336 0.999 40 0 BCABMO Nc1cccnc1N1CC[N@H+]2CCC[C@@H]2C1 ZINC000018217791 385032725 /nfs/dbraw/zinc/03/27/25/385032725.db2.gz IGVOVAWKJPSJEI-SNVBAGLBSA-N 1 1 218.304 0.948 40 0 BCABMO COc1cccc([C@@H]2[C@@H]([NH3+])C(=O)N2C)c1 ZINC000072228268 385128776 /nfs/dbraw/zinc/12/87/76/385128776.db2.gz SJYFTWUELWMCBE-NXEZZACHSA-N 1 1 206.245 0.536 40 0 BCABMO COc1cccc([C@H]2[C@@H]([NH3+])C(=O)N2C)c1 ZINC000072228269 385128965 /nfs/dbraw/zinc/12/89/65/385128965.db2.gz SJYFTWUELWMCBE-ZJUUUORDSA-N 1 1 206.245 0.536 40 0 BCABMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](CO)C1 ZINC000127241667 385317570 /nfs/dbraw/zinc/31/75/70/385317570.db2.gz DJZWCPMXNQYJMI-JTQLQIEISA-N 1 1 209.293 0.841 40 0 BCABMO Nc1[nH+]cnc2c1ccn2[C@@H]1CC[C@@H](CO)O1 ZINC000034265109 385275475 /nfs/dbraw/zinc/27/54/75/385275475.db2.gz IMONOBVOMFRFGW-CBAPKCEASA-N 1 1 234.259 0.683 40 0 BCABMO CS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1ccccc1F ZINC000096525084 385277327 /nfs/dbraw/zinc/27/73/27/385277327.db2.gz KAWJVXRESWLKML-NXEZZACHSA-N 1 1 247.291 0.231 40 0 BCABMO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000225969421 385325767 /nfs/dbraw/zinc/32/57/67/385325767.db2.gz WNKMHUPWYJPRGZ-NXEZZACHSA-N 1 1 214.309 0.215 40 0 BCABMO COCCn1cc(NC(=O)C[NH+](C)C)cn1 ZINC000170758974 385444716 /nfs/dbraw/zinc/44/47/16/385444716.db2.gz WPJDZQNWQPCZEC-UHFFFAOYSA-N 1 1 226.280 0.030 40 0 BCABMO CC(=O)N[C@@H]1CN(C)C2(C1)CC[NH+](C)CC2 ZINC000257286444 385761622 /nfs/dbraw/zinc/76/16/22/385761622.db2.gz PLPKJAWZLMDCND-NSHDSACASA-N 1 1 225.336 0.291 40 0 BCABMO CN1CCN(c2ccncc2C[NH3+])CC1 ZINC000088114682 386826192 /nfs/dbraw/zinc/82/61/92/386826192.db2.gz IQQDKPASLWCQGD-UHFFFAOYSA-N 1 1 206.293 0.292 40 0 BCABMO O=C1CCC[C@@]2(CNCC[N@H+](CC3CC3)C2)N1 ZINC000096238340 387023852 /nfs/dbraw/zinc/02/38/52/387023852.db2.gz IEDRWUBZGWCTCY-ZDUSSCGKSA-N 1 1 237.347 0.341 40 0 BCABMO O=C1CCC[C@@]2(CNCC[N@@H+](CC3CC3)C2)N1 ZINC000096238340 387023856 /nfs/dbraw/zinc/02/38/56/387023856.db2.gz IEDRWUBZGWCTCY-ZDUSSCGKSA-N 1 1 237.347 0.341 40 0 BCABMO O[C@H]1COCC[N@H+](Cc2cccnc2)C1 ZINC000077266053 387451978 /nfs/dbraw/zinc/45/19/78/387451978.db2.gz ZSGCCNORMLIOGM-LLVKDONJSA-N 1 1 208.261 0.275 40 0 biogenic,in-vitro BCABMO O[C@H]1COCC[N@@H+](Cc2cccnc2)C1 ZINC000077266053 387451981 /nfs/dbraw/zinc/45/19/81/387451981.db2.gz ZSGCCNORMLIOGM-LLVKDONJSA-N 1 1 208.261 0.275 40 0 biogenic,in-vitro BCABMO C[N@H+]1CC[C@H](O)[C@H](Cc2ccncc2)C1 ZINC000242538967 387684241 /nfs/dbraw/zinc/68/42/41/387684241.db2.gz JKERHQVRJCSDMC-NEPJUHHUSA-N 1 1 206.289 0.937 40 0 BCABMO [NH3+]Cc1noc(CNC(=O)c2cccs2)n1 ZINC000169676247 387853251 /nfs/dbraw/zinc/85/32/51/387853251.db2.gz YPZZXGATXUZPFI-UHFFFAOYSA-N 1 1 238.272 0.520 40 0 BCABMO C([C@@H]1CCCO1)n1nnc2c1CC[NH2+]C2 ZINC000085004558 256768908 /nfs/dbraw/zinc/76/89/08/256768908.db2.gz ISRIPYFMLDGSFC-QMMMGPOBSA-N 1 1 208.265 0.103 40 0 BCABMO C[N@H+]1C[C@@H]2c3ccccc3N[C@H]2[C@@H](O)C1 ZINC000245239704 388624247 /nfs/dbraw/zinc/62/42/47/388624247.db2.gz LZVSIYWYYWXNDN-ADEWGFFLSA-N 1 1 204.273 0.871 40 0 BCABMO CCOC[C@@H]1C[NH2+]Cc2nnn(CC3CC3)c21 ZINC000306141698 388629456 /nfs/dbraw/zinc/62/94/56/388629456.db2.gz WEFRAFXXKROABC-JTQLQIEISA-N 1 1 236.319 0.911 40 0 BCABMO CCOC[C@H]1C[NH2+]Cc2nnn(CC)c21 ZINC000306135275 388629757 /nfs/dbraw/zinc/62/97/57/388629757.db2.gz OMIXUMBACYREPR-MRVPVSSYSA-N 1 1 210.281 0.521 40 0 BCABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225715081 388822737 /nfs/dbraw/zinc/82/27/37/388822737.db2.gz MNGHFGGZAFBJOL-TUAOUCFPSA-N 1 1 210.321 0.992 40 0 BCABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225715081 388822742 /nfs/dbraw/zinc/82/27/42/388822742.db2.gz MNGHFGGZAFBJOL-TUAOUCFPSA-N 1 1 210.321 0.992 40 0 BCABMO CCOC(=O)[C@@H]([NH3+])CSCSC ZINC000031949371 170253687 /nfs/dbraw/zinc/25/36/87/170253687.db2.gz RTAKRSNDYUMTIF-LURJTMIESA-N 1 1 209.336 0.931 40 0 BCABMO CCOC(=O)[C@@]1([NH3+])CC[C@@H](S(=O)(=O)CC)C1 ZINC000217946818 170263113 /nfs/dbraw/zinc/26/31/13/170263113.db2.gz VPCNWNDEEMUHBV-PSASIEDQSA-N 1 1 249.332 0.234 40 0 BCABMO CCn1c2c(cc(N)c1=O)C[N@H+](C)CC2 ZINC000082521235 172149309 /nfs/dbraw/zinc/14/93/09/172149309.db2.gz KIMLDRGINJLQJE-UHFFFAOYSA-N 1 1 207.277 0.438 40 0 BCABMO CCn1cc(CNCC[NH+](C)C)c(C)n1 ZINC000256050051 172171120 /nfs/dbraw/zinc/17/11/20/172171120.db2.gz CLKHJEVWQGFWBU-UHFFFAOYSA-N 1 1 210.325 0.863 40 0 BCABMO CCn1nccc1-c1nc(C[NH2+]C)no1 ZINC000096511457 172256740 /nfs/dbraw/zinc/25/67/40/172256740.db2.gz HMELHZCHXRTWJX-UHFFFAOYSA-N 1 1 207.237 0.672 40 0 BCABMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000019745436 172386722 /nfs/dbraw/zinc/38/67/22/172386722.db2.gz KOVYJHLZPDOMMS-JTQLQIEISA-N 1 1 236.319 0.330 40 0 BCABMO C[N@H+]1CCCN(c2ncccc2N)CC1 ZINC000020217464 173019465 /nfs/dbraw/zinc/01/94/65/173019465.db2.gz DJZUYSBACQACHE-UHFFFAOYSA-N 1 1 206.293 0.806 40 0 BCABMO CN1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000060258090 173071330 /nfs/dbraw/zinc/07/13/30/173071330.db2.gz NBDXARFHJHZTLW-NSHDSACASA-N 1 1 225.336 0.102 40 0 BCABMO CN1CC[N@@H+](CCC(N)=O)C[C@H]1c1ccccc1 ZINC000257223328 173078975 /nfs/dbraw/zinc/07/89/75/173078975.db2.gz DWWJBBWYQHEKJM-ZDUSSCGKSA-N 1 1 247.342 0.851 40 0 BCABMO C[N@@H+]1CCN(CCC(N)=O)C[C@H]1c1ccccc1 ZINC000257223328 173078977 /nfs/dbraw/zinc/07/89/77/173078977.db2.gz DWWJBBWYQHEKJM-ZDUSSCGKSA-N 1 1 247.342 0.851 40 0 BCABMO C[N@H+]1CCN(CCC(N)=O)C[C@H]1c1ccccc1 ZINC000257223328 173078980 /nfs/dbraw/zinc/07/89/80/173078980.db2.gz DWWJBBWYQHEKJM-ZDUSSCGKSA-N 1 1 247.342 0.851 40 0 BCABMO C[NH+]1CCN(NC(=O)Nc2ccccc2)CC1 ZINC000006126033 173089105 /nfs/dbraw/zinc/08/91/05/173089105.db2.gz LXUSYHDTGVCRBN-UHFFFAOYSA-N 1 1 234.303 0.971 40 0 BCABMO C[NH+]1CCN(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000005343286 173090563 /nfs/dbraw/zinc/09/05/63/173090563.db2.gz ZGHQBXQWMSZVDZ-QJPTWQEYSA-N 1 1 237.347 0.701 40 0 BCABMO C[NH+]1CCN(NC(=O)/C=C/c2ccccc2)CC1 ZINC000005675064 173090741 /nfs/dbraw/zinc/09/07/41/173090741.db2.gz JCJTUFTYUOFWQT-BQYQJAHWSA-N 1 1 245.326 0.978 40 0 BCABMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000063527586 173137977 /nfs/dbraw/zinc/13/79/77/173137977.db2.gz BHDHXAFKJSXGOP-WCQYABFASA-N 1 1 238.331 0.720 40 0 BCABMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC000063527585 173164419 /nfs/dbraw/zinc/16/44/19/173164419.db2.gz BHDHXAFKJSXGOP-AAEUAGOBSA-N 1 1 238.331 0.720 40 0 BCABMO C[N@H+]1C[C@H]2c3ccccc3N[C@@H]2[C@H](O)C1 ZINC000003847381 173188271 /nfs/dbraw/zinc/18/82/71/173188271.db2.gz LZVSIYWYYWXNDN-WCQGTBRESA-N 1 1 204.273 0.871 40 0 BCABMO C[N@H+]1C[C@H]2OC[C@H](CNc3ncccn3)[C@H]2C1 ZINC000306144511 173199654 /nfs/dbraw/zinc/19/96/54/173199654.db2.gz ZHISEPYQYMILKK-HBNTYKKESA-N 1 1 234.303 0.465 40 0 BCABMO CNC(=O)[C@H]1C[C@@H]2C[N@@H+](CC3CC3)C[C@H]1O2 ZINC000096100401 173308133 /nfs/dbraw/zinc/30/81/33/173308133.db2.gz CAVLGOTXAXKDHM-OUAUKWLOSA-N 1 1 224.304 0.232 40 0 BCABMO COCCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000082302093 174326338 /nfs/dbraw/zinc/32/63/38/174326338.db2.gz FAMUOCSJPFCIEW-SECBINFHSA-N 1 1 200.282 0.091 40 0 BCABMO COc1ccc(C[N@@H+](CCO)C(C)C)nn1 ZINC000079422402 175097612 /nfs/dbraw/zinc/09/76/12/175097612.db2.gz DRERTIYKYSJWJU-UHFFFAOYSA-N 1 1 225.292 0.688 40 0 BCABMO C[C@@H]([C@@H]1CCC[N@@H+]1CCN)n1cccn1 ZINC000022763100 176012193 /nfs/dbraw/zinc/01/21/93/176012193.db2.gz MPSQJZDDRRZRKC-QWRGUYRKSA-N 1 1 208.309 0.867 40 0 BCABMO C[C@@H]([C@@H]1CCC[N@H+]1CCN)n1cccn1 ZINC000022763100 176012195 /nfs/dbraw/zinc/01/21/95/176012195.db2.gz MPSQJZDDRRZRKC-QWRGUYRKSA-N 1 1 208.309 0.867 40 0 BCABMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccccn1 ZINC000079440642 176328126 /nfs/dbraw/zinc/32/81/26/176328126.db2.gz OYFMADLXDSIOAO-SECBINFHSA-N 1 1 241.316 0.064 40 0 BCABMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000079419836 177222148 /nfs/dbraw/zinc/22/21/48/177222148.db2.gz CCHOYSOSPICUMZ-JTQLQIEISA-N 1 1 244.335 0.920 40 0 BCABMO C[C@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000079419836 177222149 /nfs/dbraw/zinc/22/21/49/177222149.db2.gz CCHOYSOSPICUMZ-JTQLQIEISA-N 1 1 244.335 0.920 40 0 BCABMO C[NH+]1CCN(c2ccnc(Cl)n2)CC1 ZINC000002028370 536424927 /nfs/dbraw/zinc/42/49/27/536424927.db2.gz DLSDRFQCEQEWGN-UHFFFAOYSA-N 1 1 212.684 0.882 40 0 BCABMO Cc1cc(NC(=O)[C@@]2(C)C[N@H+](C)CCO2)n[nH]1 ZINC000072379371 178146409 /nfs/dbraw/zinc/14/64/09/178146409.db2.gz HNSYUQSNQBKCEQ-LLVKDONJSA-N 1 1 238.291 0.377 40 0 BCABMO Cc1cc(NC(=O)[C@@]2(C)C[N@@H+](C)CCO2)n[nH]1 ZINC000072379371 178146410 /nfs/dbraw/zinc/14/64/10/178146410.db2.gz HNSYUQSNQBKCEQ-LLVKDONJSA-N 1 1 238.291 0.377 40 0 BCABMO CC(=O)N[C@H]1CN(C)C2(C1)CC[NH+](C)CC2 ZINC000257286443 187331045 /nfs/dbraw/zinc/33/10/45/187331045.db2.gz PLPKJAWZLMDCND-LLVKDONJSA-N 1 1 225.336 0.291 40 0 BCABMO CC(C)[C@H]([C@@H](CN)CO)[NH+]1CCCC1 ZINC000072210614 259317616 /nfs/dbraw/zinc/31/76/16/259317616.db2.gz ARKBGFLZIWNJIN-WDEREUQCSA-N 1 1 200.326 0.674 40 0 BCABMO CCOC(=O)[C@@H](N)[C@H](C(C)C)[NH+]1CCOCC1 ZINC000072210534 259316923 /nfs/dbraw/zinc/31/69/23/259316923.db2.gz PMYBFVWNHFTXAD-QWRGUYRKSA-N 1 1 244.335 0.234 40 0 BCABMO CCN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000216591536 342734296 /nfs/dbraw/zinc/73/42/96/342734296.db2.gz KHGCGHQRRIJFQY-FUNVUKJBSA-N 1 1 223.364 0.907 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@H](C)[C@H]([C@@H](C)O)[C@H]1C ZINC000242463475 398314094 /nfs/dbraw/zinc/31/40/94/398314094.db2.gz DCBCKPVQVGMBSL-VVULQXIFSA-N 1 1 215.293 0.543 40 0 BCABMO CC(C)N1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000036189977 187208312 /nfs/dbraw/zinc/20/83/12/187208312.db2.gz FJQMGMPVYUYCPX-GFCCVEGCSA-N 1 1 239.363 0.539 40 0 BCABMO CC(=O)N(C[C@@H]1CCC[N@H+]1CCO)C(C)C ZINC000079416493 187263018 /nfs/dbraw/zinc/26/30/18/187263018.db2.gz OVURICNXJDRVLE-LBPRGKRZSA-N 1 1 228.336 0.700 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079405505 187263222 /nfs/dbraw/zinc/26/32/22/187263222.db2.gz PYXGKVOOFRGCLQ-LBPRGKRZSA-N 1 1 240.347 0.702 40 0 BCABMO CC(=O)N1CCC[C@@H]([N@@H+](CCN)C(C)C)C1 ZINC000079405647 187263285 /nfs/dbraw/zinc/26/32/85/187263285.db2.gz DHGXTVSWUDKNFP-GFCCVEGCSA-N 1 1 227.352 0.666 40 0 BCABMO CC(=O)N1CCC[C@@H]([N@H+](CCN)C(C)C)C1 ZINC000079405647 187263286 /nfs/dbraw/zinc/26/32/86/187263286.db2.gz DHGXTVSWUDKNFP-GFCCVEGCSA-N 1 1 227.352 0.666 40 0 BCABMO O=C(C[N@H+]1CCC[C@@H](O)C1)NC1CCCCC1 ZINC000047864956 343782035 /nfs/dbraw/zinc/78/20/35/343782035.db2.gz WXFFKXDUNVSVIC-GFCCVEGCSA-N 1 1 240.347 0.892 40 0 BCABMO O=C(C[N@@H+]1CCC[C@@H](O)C1)NC1CCCCC1 ZINC000047864956 343782036 /nfs/dbraw/zinc/78/20/36/343782036.db2.gz WXFFKXDUNVSVIC-GFCCVEGCSA-N 1 1 240.347 0.892 40 0 BCABMO CC(C)CCN1CCN(C(=O)C2C[NH2+]C2)CC1 ZINC000091408302 343785088 /nfs/dbraw/zinc/78/50/88/343785088.db2.gz VRYHHXWPRZKXPU-UHFFFAOYSA-N 1 1 239.363 0.396 40 0 BCABMO C1C[NH2+]C[C@H](c2n[nH]c3c2COCC3)C1 ZINC000107243554 343785685 /nfs/dbraw/zinc/78/56/85/343785685.db2.gz RXBHBZSXORPXRM-MRVPVSSYSA-N 1 1 207.277 0.949 40 0 BCABMO CCCN(CCC)C(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886673 343789007 /nfs/dbraw/zinc/78/90/07/343789007.db2.gz PJRFXHXYWUCBDR-LBPRGKRZSA-N 1 1 242.363 0.949 40 0 BCABMO CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339414668 343791502 /nfs/dbraw/zinc/79/15/02/343791502.db2.gz IZRCCRROZOHHAY-JTQLQIEISA-N 1 1 210.281 0.427 40 0 BCABMO OCc1cn(C[C@@H]2CCC[N@H+]2C2CCC2)nn1 ZINC000409428299 343803072 /nfs/dbraw/zinc/80/30/72/343803072.db2.gz ZPAOQLNINAICJF-LBPRGKRZSA-N 1 1 236.319 0.787 40 0 BCABMO OCC[NH+]1CCC(N2CCSCC2)CC1 ZINC000409426449 343797923 /nfs/dbraw/zinc/79/79/23/343797923.db2.gz ICNMQKIIGMPYJN-UHFFFAOYSA-N 1 1 230.377 0.492 40 0 BCABMO CCO[C@@H]1C[N@@H+](CCO)C[C@@H]1OCC ZINC000409426804 343798854 /nfs/dbraw/zinc/79/88/54/343798854.db2.gz DAVXJGRPZQTIRE-AOOOYVTPSA-N 1 1 203.282 0.105 40 0 BCABMO CC[N@H+]1CCC[C@H](n2cc(C=O)nn2)C1 ZINC000409427169 343799976 /nfs/dbraw/zinc/79/99/76/343799976.db2.gz UYEKYQPOMWIEIS-JTQLQIEISA-N 1 1 208.265 0.747 40 0 BCABMO CC(C)C[N@H+]1CC[C@@H](n2cc(CO)nn2)C1 ZINC000409427742 343801493 /nfs/dbraw/zinc/80/14/93/343801493.db2.gz XOEVKECYBPZZQD-LLVKDONJSA-N 1 1 224.308 0.673 40 0 BCABMO CC(C)C[N@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000409427744 343801729 /nfs/dbraw/zinc/80/17/29/343801729.db2.gz XOEVKECYBPZZQD-NSHDSACASA-N 1 1 224.308 0.673 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000409422369 343813182 /nfs/dbraw/zinc/81/31/82/343813182.db2.gz DAVFLXURGLSGEC-LLVKDONJSA-N 1 1 228.336 0.702 40 0 BCABMO O=Cc1cn(C[C@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409423218 343814893 /nfs/dbraw/zinc/81/48/93/343814893.db2.gz ATGCYUUQRRAAKY-JTQLQIEISA-N 1 1 234.303 0.965 40 0 BCABMO CC[N@H+]1CCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409424232 343817270 /nfs/dbraw/zinc/81/72/70/343817270.db2.gz GBDHXSRRYXOAJK-SNVBAGLBSA-N 1 1 208.265 0.575 40 0 BCABMO OCc1cn([C@H]2CCC[N@H+](CCF)C2)nn1 ZINC000409425864 343820989 /nfs/dbraw/zinc/82/09/89/343820989.db2.gz NMKZEBIQAUKRHD-JTQLQIEISA-N 1 1 228.271 0.377 40 0 BCABMO OCc1cn([C@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000409425864 343820991 /nfs/dbraw/zinc/82/09/91/343820991.db2.gz NMKZEBIQAUKRHD-JTQLQIEISA-N 1 1 228.271 0.377 40 0 BCABMO O=Cc1cn([C@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409426227 343822097 /nfs/dbraw/zinc/82/20/97/343822097.db2.gz OXRRQCLUGUZTEX-NSHDSACASA-N 1 1 220.276 0.890 40 0 BCABMO OCc1cn(C[C@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409426318 343822670 /nfs/dbraw/zinc/82/26/70/343822670.db2.gz PYBQWJHEBVJJJQ-JTQLQIEISA-N 1 1 236.319 0.645 40 0 BCABMO CCOC[C@H]1C[N@H+](CCN)CC1(C)C ZINC000409432651 343826979 /nfs/dbraw/zinc/82/69/79/343826979.db2.gz LMPBQVVEXOHSNO-SNVBAGLBSA-N 1 1 200.326 0.940 40 0 BCABMO CCOC[C@H]1C[N@@H+](CCN)CC1(C)C ZINC000409432651 343826983 /nfs/dbraw/zinc/82/69/83/343826983.db2.gz LMPBQVVEXOHSNO-SNVBAGLBSA-N 1 1 200.326 0.940 40 0 BCABMO C[C@H]1CN(c2[nH+]cccc2N)C[C@@H]1CO ZINC000409429096 343804564 /nfs/dbraw/zinc/80/45/64/343804564.db2.gz NUIYQZNGUHTAGC-DTWKUNHWSA-N 1 1 207.277 0.728 40 0 BCABMO CCO[C@H]1CN(c2[nH+]cccc2N)C[C@@H]1O ZINC000409429002 343804611 /nfs/dbraw/zinc/80/46/11/343804611.db2.gz HFNYSCYXEBKYEM-UWVGGRQHSA-N 1 1 223.276 0.250 40 0 BCABMO Nc1ccc[nH+]c1N1CC(F)(F)C[C@H]1CO ZINC000409429088 343804650 /nfs/dbraw/zinc/80/46/50/343804650.db2.gz HJEJDAMFILFUBS-ZETCQYMHSA-N 1 1 229.230 0.870 40 0 BCABMO Nc1ccc(N2CC(O)(C(F)(F)F)C2)[nH+]c1 ZINC000409430829 343809068 /nfs/dbraw/zinc/80/90/68/343809068.db2.gz JDQQWFJSGAGADW-UHFFFAOYSA-N 1 1 233.193 0.777 40 0 BCABMO OCC[N@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409435162 343832804 /nfs/dbraw/zinc/83/28/04/343832804.db2.gz SQVPJEOAGCIACC-NSHDSACASA-N 1 1 213.321 0.853 40 0 BCABMO CO[C@@H]1CCO[C@]2(CC[N@@H+](CCO)C2)C1 ZINC000409435053 343835421 /nfs/dbraw/zinc/83/54/21/343835421.db2.gz SCTJRWBKJZWMRO-GHMZBOCLSA-N 1 1 215.293 0.249 40 0 BCABMO [NH3+]Cc1nc([C@H]([C@@H]2CCOC2)n2cccc2)no1 ZINC000409442054 343856906 /nfs/dbraw/zinc/85/69/06/343856906.db2.gz SPKLOCQMUHFEFT-KOLCDFICSA-N 1 1 248.286 0.956 40 0 BCABMO Cn1cnc2c1C[C@@H](CO)[N@@H+](CC1CCC1)C2 ZINC000585094854 344129531 /nfs/dbraw/zinc/12/95/31/344129531.db2.gz QEUDYEBABRJQAL-NSHDSACASA-N 1 1 235.331 0.939 40 0 BCABMO COC[C@@H]1C[N@@H+](C)C2(CN(c3ncccn3)C2)C1 ZINC000585093985 344130339 /nfs/dbraw/zinc/13/03/39/344130339.db2.gz WDXXMDHURFAKCZ-NSHDSACASA-N 1 1 248.330 0.634 40 0 BCABMO CCOC[C@@H]1CC[N@@H+](C)C2(CN(C(C)=O)C2)C1 ZINC000585103741 344133136 /nfs/dbraw/zinc/13/31/36/344133136.db2.gz ZRVPIVPCIWAZJR-GFCCVEGCSA-N 1 1 240.347 0.966 40 0 BCABMO CNC(=O)C[C@@H]1C[N@H+](CC2CC2)Cc2ccnn21 ZINC000585112260 344136538 /nfs/dbraw/zinc/13/65/38/344136538.db2.gz NYFUZDIQVRAEPD-GFCCVEGCSA-N 1 1 248.330 0.786 40 0 BCABMO CNC(=O)C[C@@H]1C[N@@H+](CC2CC2)Cc2ccnn21 ZINC000585112260 344136540 /nfs/dbraw/zinc/13/65/40/344136540.db2.gz NYFUZDIQVRAEPD-GFCCVEGCSA-N 1 1 248.330 0.786 40 0 BCABMO CNC(=O)C[C@@H]1C[N@@H+](C(C)C)Cc2ccnn21 ZINC000585112701 344137344 /nfs/dbraw/zinc/13/73/44/344137344.db2.gz TVHIICQQEKANKY-LLVKDONJSA-N 1 1 236.319 0.784 40 0 BCABMO CNC(=O)C[C@@H]1C[N@H+](C(C)C)Cc2ccnn21 ZINC000585112701 344137345 /nfs/dbraw/zinc/13/73/45/344137345.db2.gz TVHIICQQEKANKY-LLVKDONJSA-N 1 1 236.319 0.784 40 0 BCABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061707712 344357287 /nfs/dbraw/zinc/35/72/87/344357287.db2.gz XGURGGAKQXRKCD-QWRGUYRKSA-N 1 1 226.320 0.454 40 0 BCABMO CCOC(=O)[C@H]1[NH2+][C@@H](C)[C@@H]([C@@H](C)O)[C@@H]1C ZINC000072210478 344512468 /nfs/dbraw/zinc/51/24/68/344512468.db2.gz DCBCKPVQVGMBSL-CIQUZCHMSA-N 1 1 215.293 0.543 40 0 BCABMO COC(=O)[C@H]1CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398562 344527646 /nfs/dbraw/zinc/52/76/46/344527646.db2.gz MQZINACZCKFGSR-ZRUFSTJUSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@H]1CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398562 344527648 /nfs/dbraw/zinc/52/76/48/344527648.db2.gz MQZINACZCKFGSR-ZRUFSTJUSA-N 1 1 237.299 0.991 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](CO)C2)C1 ZINC000250592446 345479433 /nfs/dbraw/zinc/47/94/33/345479433.db2.gz HTCWKALJANRKCG-NEPJUHHUSA-N 1 1 240.347 0.559 40 0 BCABMO C[C@H]1CN(c2[nH+]cccc2N)CC[C@H]1O ZINC000253197270 345621408 /nfs/dbraw/zinc/62/14/08/345621408.db2.gz RUIVLAVDIMPIAF-WCBMZHEXSA-N 1 1 207.277 0.871 40 0 BCABMO C[C@H]1CN(c2cc(N)[nH+]cn2)C[C@H](C)O1 ZINC000082426421 345909319 /nfs/dbraw/zinc/90/93/19/345909319.db2.gz NTZHFLPLSCSVIC-YUMQZZPRSA-N 1 1 208.265 0.672 40 0 BCABMO Nc1cc(NC2CCC(O)CC2)nc[nH+]1 ZINC000082426458 345909386 /nfs/dbraw/zinc/90/93/86/345909386.db2.gz ZLSIBKCCQIJQAJ-UHFFFAOYSA-N 1 1 208.265 0.774 40 0 BCABMO Nc1cc(NC2CCC(O)CC2)[nH+]cn1 ZINC000082426458 345909389 /nfs/dbraw/zinc/90/93/89/345909389.db2.gz ZLSIBKCCQIJQAJ-UHFFFAOYSA-N 1 1 208.265 0.774 40 0 BCABMO CNc1cc(N2CC[NH2+]CC2)nc(C)n1 ZINC000087831170 345940063 /nfs/dbraw/zinc/94/00/63/345940063.db2.gz NUVRHNBTCBKDRG-UHFFFAOYSA-N 1 1 207.281 0.236 40 0 BCABMO CN(CCO)c1cc(N)nc(C2CC2)[nH+]1 ZINC000087909016 345940204 /nfs/dbraw/zinc/94/02/04/345940204.db2.gz IMZRAROFEWNBHK-UHFFFAOYSA-N 1 1 208.265 0.365 40 0 BCABMO Cc1nc(N)cc(N2CCC(CO)CC2)[nH+]1 ZINC000087800857 345941257 /nfs/dbraw/zinc/94/12/57/345941257.db2.gz AJTILMHNWBIVGN-UHFFFAOYSA-N 1 1 222.292 0.576 40 0 BCABMO Cc1nc(N)cc(N2CCC[C@H](O)C2)[nH+]1 ZINC000087811596 345942102 /nfs/dbraw/zinc/94/21/02/345942102.db2.gz LQRZQCNGFURWQH-QMMMGPOBSA-N 1 1 208.265 0.328 40 0 BCABMO CNc1cc(N2CCC[N@@H+](C)CC2)ncn1 ZINC000087806492 345942317 /nfs/dbraw/zinc/94/23/17/345942317.db2.gz RJJZJOBTWCCCHU-UHFFFAOYSA-N 1 1 221.308 0.660 40 0 BCABMO OCC[NH+]1CCN(c2ccnc(Cl)n2)CC1 ZINC000051849507 346148280 /nfs/dbraw/zinc/14/82/80/346148280.db2.gz FDIIOOCMBXLFRU-UHFFFAOYSA-N 1 1 242.710 0.244 40 0 BCABMO Cc1cccc(C[N@H+]2CC[C@@H]3NC(=O)C[C@@H]32)n1 ZINC000096081160 179081056 /nfs/dbraw/zinc/08/10/56/179081056.db2.gz SRHQOESNXAZCOX-RYUDHWBXSA-N 1 1 231.299 0.853 40 0 BCABMO Cc1cccc(CO[C@@H]2C[C@H]3CNCC[N@@H+]3C2)n1 ZINC000107359674 179103457 /nfs/dbraw/zinc/10/34/57/179103457.db2.gz PKHHPUDIVMQSLL-UONOGXRCSA-N 1 1 247.342 0.953 40 0 BCABMO Cc1cccc(CO[C@@H]2C[C@H]3CNCC[N@H+]3C2)n1 ZINC000107359674 179103459 /nfs/dbraw/zinc/10/34/59/179103459.db2.gz PKHHPUDIVMQSLL-UONOGXRCSA-N 1 1 247.342 0.953 40 0 BCABMO Nc1nc(N)[nH+]c(NC2CCCCC2)n1 ZINC000031425225 347221432 /nfs/dbraw/zinc/22/14/32/347221432.db2.gz FHEJGRHXJIQFRP-UHFFFAOYSA-N 1 1 208.269 0.781 40 0 BCABMO CCNc1ncc(CNCC[NH+](C)C)cn1 ZINC000062718419 259408148 /nfs/dbraw/zinc/40/81/48/259408148.db2.gz TYLFFICQRXNEER-UHFFFAOYSA-N 1 1 223.324 0.560 40 0 BCABMO CN1CC2(CC[NH+](Cc3nccn3C)CC2)C1=O ZINC000096202795 191055855 /nfs/dbraw/zinc/05/58/55/191055855.db2.gz WQLMOMBQHAAALG-UHFFFAOYSA-N 1 1 248.330 0.474 40 0 BCABMO Cc1ncnc2c1CC[N@H+](CC(=O)N(C)C)CC2 ZINC000096254994 180291104 /nfs/dbraw/zinc/29/11/04/180291104.db2.gz KLQMWCWBCXURGW-UHFFFAOYSA-N 1 1 248.330 0.274 40 0 BCABMO Cc1ncnc2c1CC[N@@H+](CC(=O)N(C)C)CC2 ZINC000096254994 180291105 /nfs/dbraw/zinc/29/11/05/180291105.db2.gz KLQMWCWBCXURGW-UHFFFAOYSA-N 1 1 248.330 0.274 40 0 BCABMO CCO[C@H]1CN(CCC[NH3+])C[C@H]1OC ZINC000409436473 350478631 /nfs/dbraw/zinc/47/86/31/350478631.db2.gz ZZAAKRVVPNQTOU-ZJUUUORDSA-N 1 1 202.298 0.071 40 0 BCABMO CCO[C@H]1CN(c2ccc(N)c[nH+]2)C[C@H]1OC ZINC000409436463 350478694 /nfs/dbraw/zinc/47/86/94/350478694.db2.gz ZYRBACGLEVWBBA-MNOVXSKESA-N 1 1 237.303 0.904 40 0 BCABMO CC(C)(C)OC(=O)[C@H](N)[C@H]1C[C@H]([NH3+])C1 ZINC000602985742 351866025 /nfs/dbraw/zinc/86/60/25/351866025.db2.gz OGHGAJBVNRZRIL-BWZBUEFSSA-N 1 1 200.282 0.393 40 0 BCABMO CC(C)N(C(=O)CN)[C@@H]1CCC[N@H+](C)C1 ZINC000079406955 188291525 /nfs/dbraw/zinc/29/15/25/188291525.db2.gz ITEHCPSXNOLCGE-SNVBAGLBSA-N 1 1 213.325 0.276 40 0 BCABMO CC(C)N(C(=O)CN)[C@@H]1CCC[N@@H+](C)C1 ZINC000079406955 188291526 /nfs/dbraw/zinc/29/15/26/188291526.db2.gz ITEHCPSXNOLCGE-SNVBAGLBSA-N 1 1 213.325 0.276 40 0 BCABMO CC(=O)N1CC[C@@H]([N@H+](CCO)C(C)C)C1 ZINC000079405387 188291630 /nfs/dbraw/zinc/29/16/30/188291630.db2.gz GVLRIJRSHPBDMX-LLVKDONJSA-N 1 1 214.309 0.310 40 0 BCABMO CC(=O)N(C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000079416589 188291834 /nfs/dbraw/zinc/29/18/34/188291834.db2.gz ZSVNYWPQJFUGBS-CYBMUJFWSA-N 1 1 240.347 0.844 40 0 BCABMO CC(=O)N(C[C@H]1CCC[N@H+]1CCO)C(C)C ZINC000079416497 188291852 /nfs/dbraw/zinc/29/18/52/188291852.db2.gz OVURICNXJDRVLE-GFCCVEGCSA-N 1 1 228.336 0.700 40 0 BCABMO CC[NH+]1CCN(C(=O)c2cn(C)nc2C)CC1 ZINC000055009901 353346702 /nfs/dbraw/zinc/34/67/02/353346702.db2.gz WTGDHWQKSPGABA-UHFFFAOYSA-N 1 1 236.319 0.506 40 0 BCABMO NC(=O)C[NH+]1CCC(c2ccncc2)CC1 ZINC000012117346 181230567 /nfs/dbraw/zinc/23/05/67/181230567.db2.gz KPCDULGBCYDHDA-UHFFFAOYSA-N 1 1 219.288 0.746 40 0 BCABMO [NH3+]CC1CCN(CC(=O)NC2CCCC2)CC1 ZINC000019843254 181364888 /nfs/dbraw/zinc/36/48/88/181364888.db2.gz NKOYTLXUUGTRJW-UHFFFAOYSA-N 1 1 239.363 0.716 40 0 BCABMO CC(C)(C)CC[N@H+]1CCO[C@@](C)(C(N)=O)C1 ZINC000205679022 368357097 /nfs/dbraw/zinc/35/70/97/368357097.db2.gz DAEXEFXVLOPUSX-GFCCVEGCSA-N 1 1 228.336 0.999 40 0 BCABMO CC[N@@H+]1CCC[C@]1(C(=O)N(C)C)c1cnccn1 ZINC000205699052 368360016 /nfs/dbraw/zinc/36/00/16/368360016.db2.gz LEXFGYXRGLRWMV-CYBMUJFWSA-N 1 1 248.330 0.876 40 0 BCABMO CC[N@H+]1CCC[C@]1(C(=O)N(C)C)c1cnccn1 ZINC000205699052 368360019 /nfs/dbraw/zinc/36/00/19/368360019.db2.gz LEXFGYXRGLRWMV-CYBMUJFWSA-N 1 1 248.330 0.876 40 0 BCABMO O=c1cccc2n1C[C@H]1C[C@@H]2C[N@@H+](CCO)C1 ZINC000003947525 183002755 /nfs/dbraw/zinc/00/27/55/183002755.db2.gz YACCDFQYQYSQKW-WDEREUQCSA-N 1 1 234.299 0.260 40 0 BCABMO OCC[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257293939 183076627 /nfs/dbraw/zinc/07/66/27/183076627.db2.gz QRTVGBRFOVVLRO-VXGBXAGGSA-N 1 1 241.262 0.242 40 0 BCABMO O[C@H]1CC[N@H+](Cc2cn3ccccc3n2)C1 ZINC000061709118 183239883 /nfs/dbraw/zinc/23/98/83/183239883.db2.gz NMWYKNNLXREYEX-NSHDSACASA-N 1 1 217.272 0.901 40 0 BCABMO O[C@H]1CC[N@@H+](Cc2cn3ccccc3n2)C1 ZINC000061709118 183239884 /nfs/dbraw/zinc/23/98/84/183239884.db2.gz NMWYKNNLXREYEX-NSHDSACASA-N 1 1 217.272 0.901 40 0 BCABMO O[C@H]1C[N@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257245716 183243918 /nfs/dbraw/zinc/24/39/18/183243918.db2.gz IQUKBYWNPJJCTQ-RYUDHWBXSA-N 1 1 235.287 0.202 40 0 BCABMO O[C@H]1C[N@@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257245716 183243921 /nfs/dbraw/zinc/24/39/21/183243921.db2.gz IQUKBYWNPJJCTQ-RYUDHWBXSA-N 1 1 235.287 0.202 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@H+](CCO)C(C)C)C1 ZINC000079405438 384133855 /nfs/dbraw/zinc/13/38/55/384133855.db2.gz UEQVIJZISFKSLY-CYBMUJFWSA-N 1 1 242.363 0.948 40 0 BCABMO CC[N@@H+](CCO)C1CCN(C(C)=O)CC1 ZINC000079405352 384134392 /nfs/dbraw/zinc/13/43/92/384134392.db2.gz YDAZSACKYQQXPZ-UHFFFAOYSA-N 1 1 214.309 0.312 40 0 BCABMO C[N@@H+](C[C@H]1CCC[NH+](CC(=O)[O-])C1)C1CC1 ZINC000079419799 384144490 /nfs/dbraw/zinc/14/44/90/384144490.db2.gz ULYAPCMUSYDZBX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO C[NH+](C[C@H]1CCC[N@H+](CC(=O)[O-])C1)C1CC1 ZINC000079419799 384144497 /nfs/dbraw/zinc/14/44/97/384144497.db2.gz ULYAPCMUSYDZBX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO C[NH+](C[C@H]1CCC[N@@H+](CC(=O)[O-])C1)C1CC1 ZINC000079419799 384144502 /nfs/dbraw/zinc/14/45/02/384144502.db2.gz ULYAPCMUSYDZBX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO C[N@@H+](C[C@H]1CCCN(CCO)C1)C1CC1 ZINC000079418930 384145092 /nfs/dbraw/zinc/14/50/92/384145092.db2.gz BEYWAUHRADTXNR-LLVKDONJSA-N 1 1 212.337 0.785 40 0 BCABMO Nc1[nH]nc2nc([C@@H]3CC[NH2+]C3)ccc12 ZINC000072344113 384208479 /nfs/dbraw/zinc/20/84/79/384208479.db2.gz GAJQIJQYSMBTHI-ZCFIWIBFSA-N 1 1 203.249 0.617 40 0 BCABMO Cc1cc(=O)[nH]c([C@H]2CCCC[N@H+]2CCO)n1 ZINC000072356879 384210772 /nfs/dbraw/zinc/21/07/72/384210772.db2.gz CDWUMLNFJWYWRT-SNVBAGLBSA-N 1 1 237.303 0.598 40 0 BCABMO Cc1c[nH]nc1C1CC[NH+](CC(N)=O)CC1 ZINC000072361132 384214556 /nfs/dbraw/zinc/21/45/56/384214556.db2.gz CGXVLNVRNXOLHJ-UHFFFAOYSA-N 1 1 222.292 0.383 40 0 BCABMO Cc1cncnc1C1CC[NH+](CC(N)=O)CC1 ZINC000072361130 384215170 /nfs/dbraw/zinc/21/51/70/384215170.db2.gz MYNXLXICAVYYJN-UHFFFAOYSA-N 1 1 234.303 0.450 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCO)C2CC2)CC1 ZINC000100178652 384278963 /nfs/dbraw/zinc/27/89/63/384278963.db2.gz NPAUCXQFHGGGEV-TXEJJXNPSA-N 1 1 240.347 0.890 40 0 BCABMO CC[N@H+](CC(=O)[O-])C[C@H]1CC[NH+](C)C1 ZINC000083318536 384287307 /nfs/dbraw/zinc/28/73/07/384287307.db2.gz LFAGBYOJOQMRQR-VIFPVBQESA-N 1 1 200.282 0.345 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@H]1CC[N@H+](C)C1 ZINC000083318536 384287312 /nfs/dbraw/zinc/28/73/12/384287312.db2.gz LFAGBYOJOQMRQR-VIFPVBQESA-N 1 1 200.282 0.345 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@H]1CC[N@@H+](C)C1 ZINC000083318536 384287318 /nfs/dbraw/zinc/28/73/18/384287318.db2.gz LFAGBYOJOQMRQR-VIFPVBQESA-N 1 1 200.282 0.345 40 0 BCABMO CCCN(CCC)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061708860 384397128 /nfs/dbraw/zinc/39/71/28/384397128.db2.gz DIFLMIFQOYYKFW-NSHDSACASA-N 1 1 228.336 0.702 40 0 BCABMO CC(C)N(C(=O)C[N@H+]1CC[C@H](O)C1)C(C)C ZINC000061707859 384397974 /nfs/dbraw/zinc/39/79/74/384397974.db2.gz ZMGCCEASHJYSSH-NSHDSACASA-N 1 1 228.336 0.698 40 0 BCABMO COC(=O)[C@H]1C[C@H]2Cc3nc[nH]c3C[N@H+]2C1 ZINC000095828953 384400730 /nfs/dbraw/zinc/40/07/30/384400730.db2.gz GREJYKDLWQHLEN-YUMQZZPRSA-N 1 1 221.260 0.329 40 0 BCABMO CCOC(=O)[C@@H]1C[C@H]2[C@@H](CCC[C@@H]2O)[NH2+]1 ZINC000095951498 384419997 /nfs/dbraw/zinc/41/99/97/384419997.db2.gz MAAGWQZXAGNMPA-JXUBOQSCSA-N 1 1 213.277 0.441 40 0 BCABMO CC(C)(C)OC(=O)N[C@H]1CC[N@@H+](CCCO)C1 ZINC000095644190 384388478 /nfs/dbraw/zinc/38/84/78/384388478.db2.gz BBTWDRZGCWPGHB-JTQLQIEISA-N 1 1 244.335 0.968 40 0 BCABMO Cc1cnc(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]32)cn1 ZINC000096250895 384447138 /nfs/dbraw/zinc/44/71/38/384447138.db2.gz BIXDYYWZSVYIBC-ONGXEEELSA-N 1 1 232.287 0.171 40 0 BCABMO O=C1Nc2ccccc2C[C@]12CC[N@H+](CCO)C2 ZINC000096157392 384439292 /nfs/dbraw/zinc/43/92/92/384439292.db2.gz DCXVFWJNKLNABZ-AWEZNQCLSA-N 1 1 246.310 0.866 40 0 BCABMO [NH3+]CC(=O)c1cccc(Br)n1 ZINC000083298906 384460408 /nfs/dbraw/zinc/46/04/08/384460408.db2.gz GEFMPVXAAAPVCK-UHFFFAOYSA-N 1 1 215.050 0.986 40 0 BCABMO CCN(C[C@@H]1CC[N@@H+](CCO)C1)C(C)=O ZINC000079416427 384496468 /nfs/dbraw/zinc/49/64/68/384496468.db2.gz SKPJKDCSHARHNS-LLVKDONJSA-N 1 1 214.309 0.169 40 0 BCABMO c1cc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)ccn1 ZINC000064875452 384624274 /nfs/dbraw/zinc/62/42/74/384624274.db2.gz DZBKVMRCQYPXNP-UHFFFAOYSA-N 1 1 244.302 0.272 40 0 BCABMO CN1C(=O)C[C@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC000107251985 384959253 /nfs/dbraw/zinc/95/92/53/384959253.db2.gz PVJXXKKCPHJZKD-IUCAKERBSA-N 1 1 237.328 0.948 40 0 BCABMO CN1C(=O)C[C@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC000107251985 384959257 /nfs/dbraw/zinc/95/92/57/384959257.db2.gz PVJXXKKCPHJZKD-IUCAKERBSA-N 1 1 237.328 0.948 40 0 BCABMO CC[C@@](C)([C@H](CN)CO)[NH+]1CCCC1 ZINC000072210368 385066976 /nfs/dbraw/zinc/06/69/76/385066976.db2.gz SZJRGUUIIMJKGW-MNOVXSKESA-N 1 1 200.326 0.818 40 0 BCABMO [NH3+]C[C@@H](CO)C1(N2CCOCC2)CCCCC1 ZINC000072210380 385068050 /nfs/dbraw/zinc/06/80/50/385068050.db2.gz MTVARHKADDGMTF-LBPRGKRZSA-N 1 1 242.363 0.589 40 0 BCABMO [NH3+]Cc1nc(CC(=O)NCc2ccccc2)no1 ZINC000095095736 385141656 /nfs/dbraw/zinc/14/16/56/385141656.db2.gz RGSXLLHUXNXCRH-UHFFFAOYSA-N 1 1 246.270 0.387 40 0 BCABMO CC(=O)N1CCN(c2ccc(CO)c(C)[nH+]2)CC1 ZINC000072224769 385119359 /nfs/dbraw/zinc/11/93/59/385119359.db2.gz XLZDKXXQNDTZGK-UHFFFAOYSA-N 1 1 249.314 0.551 40 0 BCABMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)NC1CCCC1 ZINC000047865567 385308891 /nfs/dbraw/zinc/30/88/91/385308891.db2.gz CXTIKMBMOCETPF-LLVKDONJSA-N 1 1 240.347 0.750 40 0 BCABMO O=C(C[N@@H+]1CCC[C@H](CO)C1)NC1CCCC1 ZINC000047865566 385309154 /nfs/dbraw/zinc/30/91/54/385309154.db2.gz CXTIKMBMOCETPF-NSHDSACASA-N 1 1 240.347 0.750 40 0 BCABMO CS(=O)(=O)[C@H](CO)[C@@H]([NH3+])c1ccccc1F ZINC000096525087 385277985 /nfs/dbraw/zinc/27/79/85/385277985.db2.gz KAWJVXRESWLKML-ZJUUUORDSA-N 1 1 247.291 0.231 40 0 BCABMO CS(=O)(=O)Cc1c2[nH+]c[nH]c2ccc1N ZINC000096532841 385285196 /nfs/dbraw/zinc/28/51/96/385285196.db2.gz QVEKYMDAEAXJTK-UHFFFAOYSA-N 1 1 225.273 0.690 40 0 BCABMO CCn1cccc(-c2noc(C[NH3+])n2)c1=O ZINC000409424463 385331577 /nfs/dbraw/zinc/33/15/77/385331577.db2.gz VKPSZPHKYONJKP-UHFFFAOYSA-N 1 1 220.232 0.377 40 0 BCABMO CCC[N@H+]1CC[C@H](Cn2cc(CO)nn2)C1 ZINC000409424541 385331654 /nfs/dbraw/zinc/33/16/54/385331654.db2.gz GUEQMKZVCUAYIB-JTQLQIEISA-N 1 1 224.308 0.502 40 0 BCABMO COC(=O)[C@H]([NH3+])Cn1cc(Br)cn1 ZINC000045437300 386774969 /nfs/dbraw/zinc/77/49/69/386774969.db2.gz UTEBRIIQBZMEFD-ZCFIWIBFSA-N 1 1 248.080 0.146 40 0 BCABMO Cc1c(O)c(=O)ccn1C[C@@H]1CCC[N@@H+]1C ZINC000575410696 387013670 /nfs/dbraw/zinc/01/36/70/387013670.db2.gz AOYBGXPXTCJHMJ-JTQLQIEISA-N 1 1 222.288 0.957 40 0 BCABMO c1c(CNc2ccccn2)nc2n1CC[NH2+]C2 ZINC000096197515 387021978 /nfs/dbraw/zinc/02/19/78/387021978.db2.gz XEKDKOZIOFVGKD-UHFFFAOYSA-N 1 1 229.287 0.993 40 0 BCABMO CC/C=C/CC[N@@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000188599663 387072473 /nfs/dbraw/zinc/07/24/73/387072473.db2.gz JLKCZFUJVHNBGG-BXXZLRJFSA-N 1 1 227.304 0.951 40 0 BCABMO CC/C=C/CC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000188599663 387072480 /nfs/dbraw/zinc/07/24/80/387072480.db2.gz JLKCZFUJVHNBGG-BXXZLRJFSA-N 1 1 227.304 0.951 40 0 BCABMO CCOC[C@H]1C[NH2+]Cc2nnn(CC3CC3)c21 ZINC000306141699 388629317 /nfs/dbraw/zinc/62/93/17/388629317.db2.gz WEFRAFXXKROABC-SNVBAGLBSA-N 1 1 236.319 0.911 40 0 BCABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000252515677 388653795 /nfs/dbraw/zinc/65/37/95/388653795.db2.gz MNGHFGGZAFBJOL-SRVKXCTJSA-N 1 1 210.321 0.992 40 0 BCABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@H]2CCC[C@@H]21 ZINC000252515677 388653799 /nfs/dbraw/zinc/65/37/99/388653799.db2.gz MNGHFGGZAFBJOL-SRVKXCTJSA-N 1 1 210.321 0.992 40 0 BCABMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000095097811 388760540 /nfs/dbraw/zinc/76/05/40/388760540.db2.gz YGUBCZRDZZKDSF-NWDGAFQWSA-N 1 1 240.347 0.966 40 0 BCABMO COc1ccc([C@H]([NH3+])c2nc(N)n[nH]2)cc1OC ZINC000095533910 388777818 /nfs/dbraw/zinc/77/78/18/388777818.db2.gz LTWIUBXEBFROES-VIFPVBQESA-N 1 1 249.274 0.452 40 0 BCABMO Nc1cccnc1N1CC[N@H+]2CCC[C@H]2C1 ZINC000245204253 132303083 /nfs/dbraw/zinc/30/30/83/132303083.db2.gz IGVOVAWKJPSJEI-JTQLQIEISA-N 1 1 218.304 0.948 40 0 BCABMO C[NH+]1CCN(c2ncnc(Cl)n2)CC1 ZINC000049474253 132355906 /nfs/dbraw/zinc/35/59/06/132355906.db2.gz HLWJKDYJXSBRMA-UHFFFAOYSA-N 1 1 213.672 0.277 40 0 BCABMO CC[NH+]1CCN(C(=S)NC2CC2)CC1 ZINC000013829822 169987358 /nfs/dbraw/zinc/98/73/58/169987358.db2.gz LNBBBJOJIMUOJV-UHFFFAOYSA-N 1 1 213.350 0.661 40 0 BCABMO CC[N@H+]1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253203 170040284 /nfs/dbraw/zinc/04/02/84/170040284.db2.gz RWJNCOROONDCOV-GRYCIOLGSA-N 1 1 238.331 0.718 40 0 BCABMO CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)(C)C(=O)NC ZINC000225402531 170092248 /nfs/dbraw/zinc/09/22/48/170092248.db2.gz DLMNUMUELITQMX-VIFPVBQESA-N 1 1 241.335 0.112 40 0 biogenic,in-vitro BCABMO CCNC(=O)[C@@H]1CCC[N@H+]1C(C)(C)C(=O)NC ZINC000225402531 170092249 /nfs/dbraw/zinc/09/22/49/170092249.db2.gz DLMNUMUELITQMX-VIFPVBQESA-N 1 1 241.335 0.112 40 0 biogenic,in-vitro BCABMO CCOC(=O)[C@@]12CCCN[C@H]1CC[NH2+]C2 ZINC000044138163 170263390 /nfs/dbraw/zinc/26/33/90/170263390.db2.gz UTPBCDAWLFRZHF-GXSJLCMTSA-N 1 1 212.293 0.281 40 0 BCABMO CCOC(=O)[C@H](C)CN1CC[NH+](C)CC1 ZINC000022593774 170263774 /nfs/dbraw/zinc/26/37/74/170263774.db2.gz PXVDCSSPQKCTDI-SNVBAGLBSA-N 1 1 214.309 0.433 40 0 BCABMO CCOC(=O)[C@]12CCCN[C@@H]1CC[NH2+]C2 ZINC000044138161 170286699 /nfs/dbraw/zinc/28/66/99/170286699.db2.gz UTPBCDAWLFRZHF-KOLCDFICSA-N 1 1 212.293 0.281 40 0 BCABMO CC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000225969440 171324900 /nfs/dbraw/zinc/32/49/00/171324900.db2.gz WNKMHUPWYJPRGZ-VHSXEESVSA-N 1 1 214.309 0.215 40 0 BCABMO CCn1ncc(C)c1CNCC[NH+](C)C ZINC000256053789 172254412 /nfs/dbraw/zinc/25/44/12/172254412.db2.gz SWGFFVUPPQRWIA-UHFFFAOYSA-N 1 1 210.325 0.863 40 0 BCABMO CN(C)C(=O)[C@H]1CCCC[N@H+]1C[C@@H]1CO1 ZINC000095097819 172385890 /nfs/dbraw/zinc/38/58/90/172385890.db2.gz XNLZACRAAZUECN-NXEZZACHSA-N 1 1 212.293 0.328 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)NC[C@@H]2CCCO2)C1 ZINC000078578511 173038276 /nfs/dbraw/zinc/03/82/76/173038276.db2.gz HDJWVPLSEQLAIH-QWRGUYRKSA-N 1 1 226.320 0.623 40 0 BCABMO C[N@H+](CC(=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000074213477 173038470 /nfs/dbraw/zinc/03/84/70/173038470.db2.gz LVNGQVCPGSXCDU-VIFPVBQESA-N 1 1 200.282 0.345 40 0 BCABMO C[NH+](CC(=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000074213477 173038471 /nfs/dbraw/zinc/03/84/71/173038471.db2.gz LVNGQVCPGSXCDU-VIFPVBQESA-N 1 1 200.282 0.345 40 0 BCABMO C[NH+](CC(=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000074213477 173038473 /nfs/dbraw/zinc/03/84/73/173038473.db2.gz LVNGQVCPGSXCDU-VIFPVBQESA-N 1 1 200.282 0.345 40 0 BCABMO CN1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000020071622 173085042 /nfs/dbraw/zinc/08/50/42/173085042.db2.gz KMCHDYCSFDJBSI-CQSZACIVSA-N 1 1 233.359 0.804 40 0 BCABMO C[NH+]1CCN(NC(=O)Cc2ccccc2)CC1 ZINC000005675065 173091016 /nfs/dbraw/zinc/09/10/16/173091016.db2.gz XJOUIZGGEFFKQG-UHFFFAOYSA-N 1 1 233.315 0.508 40 0 BCABMO C[N@H+]1C[C@H]2c3ccccc3N[C@@H]2[C@@H](O)C1 ZINC000103214967 173196577 /nfs/dbraw/zinc/19/65/77/173196577.db2.gz LZVSIYWYYWXNDN-DLOVCJGASA-N 1 1 204.273 0.871 40 0 BCABMO C[N@H+]1C[C@H]2CN(C(=O)NCc3cccnc3)[C@H]2C1 ZINC000096250898 173197570 /nfs/dbraw/zinc/19/75/70/173197570.db2.gz POJDVIFMSIPQJC-RYUDHWBXSA-N 1 1 246.314 0.537 40 0 BCABMO CNC(=O)C[N@@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257341333 173275079 /nfs/dbraw/zinc/27/50/79/173275079.db2.gz ZJXKTCNAIJEQST-LLVKDONJSA-N 1 1 248.330 0.629 40 0 BCABMO CNC(=O)C[N@H+]1CC[C@@H](c2nc(C)cc(C)n2)C1 ZINC000257341333 173275080 /nfs/dbraw/zinc/27/50/80/173275080.db2.gz ZJXKTCNAIJEQST-LLVKDONJSA-N 1 1 248.330 0.629 40 0 BCABMO CNC(=O)[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111264745 173306782 /nfs/dbraw/zinc/30/67/82/173306782.db2.gz HSFLYWCZKLGOKE-VIFPVBQESA-N 1 1 222.292 0.368 40 0 BCABMO CNC(=O)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111264745 173306783 /nfs/dbraw/zinc/30/67/83/173306783.db2.gz HSFLYWCZKLGOKE-VIFPVBQESA-N 1 1 222.292 0.368 40 0 BCABMO COCCCNC(=O)[C@@H]1CCC[N@@H+](C)C1 ZINC000096629267 174243956 /nfs/dbraw/zinc/24/39/56/174243956.db2.gz QRENVXGTRJUYRF-SNVBAGLBSA-N 1 1 214.309 0.481 40 0 BCABMO COCC[N@H+]1CCC[C@@](C)(c2nncn2C)C1 ZINC000257310388 174306218 /nfs/dbraw/zinc/30/62/18/174306218.db2.gz UEWQTBNLTDVTGH-GFCCVEGCSA-N 1 1 238.335 0.815 40 0 BCABMO COCC[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000072357052 174307196 /nfs/dbraw/zinc/30/71/96/174307196.db2.gz WXGKRBXIJPRRIJ-SECBINFHSA-N 1 1 210.281 0.598 40 0 BCABMO COCC[N@H+]1CCC[C@@H]1c1nncn1C ZINC000072357052 174307197 /nfs/dbraw/zinc/30/71/97/174307197.db2.gz WXGKRBXIJPRRIJ-SECBINFHSA-N 1 1 210.281 0.598 40 0 BCABMO COCC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000072357035 174308067 /nfs/dbraw/zinc/30/80/67/174308067.db2.gz FAXDCLBJALWOBX-JTQLQIEISA-N 1 1 236.319 0.885 40 0 BCABMO CO[C@H]1CC[C@H](O)[C@@H](C(=O)C[NH+](C)C)C1 ZINC000004722609 174894470 /nfs/dbraw/zinc/89/44/70/174894470.db2.gz ZXDNAIGDURZJFE-GUBZILKMSA-N 1 1 215.293 0.293 40 0 BCABMO COc1cccc(C[N@H+]2CCOC[C@H](O)C2)c1 ZINC000085436000 175258293 /nfs/dbraw/zinc/25/82/93/175258293.db2.gz KUDHFGGXECTZKI-GFCCVEGCSA-N 1 1 237.299 0.888 40 0 biogenic,in-vitro BCABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccco1 ZINC000072397627 176323798 /nfs/dbraw/zinc/32/37/98/176323798.db2.gz COXAUDVZDZOWSA-GRYCIOLGSA-N 1 1 236.315 0.919 40 0 BCABMO O=C([C@H]1CC[NH2+]C1)N1CCN(CC2CC2)CC1 ZINC000062115080 490395968 /nfs/dbraw/zinc/39/59/68/490395968.db2.gz JVXDUJGYTOSWHO-LBPRGKRZSA-N 1 1 237.347 0.150 40 0 BCABMO CC(=O)N(C[C@@H]1CC[N@@H+](CCO)C1)C1CC1 ZINC000079416563 519466435 /nfs/dbraw/zinc/46/64/35/519466435.db2.gz LKJQLTKRYSTRDE-LLVKDONJSA-N 1 1 226.320 0.312 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCN)C2CC2)CC1 ZINC000242437258 519701049 /nfs/dbraw/zinc/70/10/49/519701049.db2.gz BVKVZOAJTAUANY-HAQNSBGRSA-N 1 1 239.363 0.857 40 0 BCABMO CC(=O)N[C@H]1CC[C@H](N(CC[NH3+])C2CC2)CC1 ZINC000242437258 519701050 /nfs/dbraw/zinc/70/10/50/519701050.db2.gz BVKVZOAJTAUANY-HAQNSBGRSA-N 1 1 239.363 0.857 40 0 BCABMO CC[N@@H+](CCO)[C@@H]1CCCC[C@H]1NC(C)=O ZINC000248241116 521123636 /nfs/dbraw/zinc/12/36/36/521123636.db2.gz HCOCTCQWVBEJKU-VXGBXAGGSA-N 1 1 228.336 0.748 40 0 BCABMO CC[N@@H+](CCO)[C@H]1CC[C@H](NC(C)=O)CC1 ZINC000248251700 521124922 /nfs/dbraw/zinc/12/49/22/521124922.db2.gz MJQGGMVCRKOAPE-HAQNSBGRSA-N 1 1 228.336 0.748 40 0 BCABMO CC(C)[C@H]([C@H](CN)CO)[NH+]1CCCC1 ZINC000072210616 259317152 /nfs/dbraw/zinc/31/71/52/259317152.db2.gz ARKBGFLZIWNJIN-GHMZBOCLSA-N 1 1 200.326 0.674 40 0 BCABMO CC(C)[C@@H]([C@H](CN)CO)[NH+]1CCCC1 ZINC000072210615 259317385 /nfs/dbraw/zinc/31/73/85/259317385.db2.gz ARKBGFLZIWNJIN-MNOVXSKESA-N 1 1 200.326 0.674 40 0 BCABMO COC(=O)C[C@H](C(=O)OC)[NH+]1CCC(C)CC1 ZINC000003881227 342738714 /nfs/dbraw/zinc/73/87/14/342738714.db2.gz YPFOWLLRKPTPRH-SNVBAGLBSA-N 1 1 243.303 0.823 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](O)C2)C1 ZINC000259007156 342821606 /nfs/dbraw/zinc/82/16/06/342821606.db2.gz HOBPYVULGBQAIM-MNOVXSKESA-N 1 1 226.320 0.312 40 0 BCABMO C[NH2+]Cc1cnc(N2CCN(C)CC2)cc1C ZINC000072223614 259321507 /nfs/dbraw/zinc/32/15/07/259321507.db2.gz CSUWSBYYNNQMON-UHFFFAOYSA-N 1 1 234.347 0.861 40 0 BCABMO CN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc2c(c1)OCO2 ZINC000072228270 259323067 /nfs/dbraw/zinc/32/30/67/259323067.db2.gz KURBLQACPIAHPA-VHSXEESVSA-N 1 1 220.228 0.256 40 0 BCABMO CN1CC[C@H]([NH3+])[C@@H](Cc2cccnc2)C1 ZINC000242543307 259326333 /nfs/dbraw/zinc/32/63/33/259326333.db2.gz JVZFEGVETJRMMF-RYUDHWBXSA-N 1 1 205.305 0.903 40 0 BCABMO CC1(C)C[N@@H+](CCO)C(C)(C)CN1CCO ZINC000019366426 342946824 /nfs/dbraw/zinc/94/68/24/342946824.db2.gz POAIVAPYMDRWLF-UHFFFAOYSA-N 1 1 230.352 0.146 40 0 BCABMO C[C@@H](C[NH+]1CCOCC1)N1CCOCC1 ZINC000020247347 342978452 /nfs/dbraw/zinc/97/84/52/342978452.db2.gz GUHIFIMCTZAVDF-NSHDSACASA-N 1 1 214.309 0.039 40 0 BCABMO C[C@@H](CN1CCOCC1)[NH+]1CCOCC1 ZINC000020247347 342978453 /nfs/dbraw/zinc/97/84/53/342978453.db2.gz GUHIFIMCTZAVDF-NSHDSACASA-N 1 1 214.309 0.039 40 0 BCABMO C(CN1C[C@@H]2CCC[C@H]1O2)C[NH+]1CCOCC1 ZINC000031669964 343222840 /nfs/dbraw/zinc/22/28/40/343222840.db2.gz FSIMALIYJGZLBF-QWHCGFSZSA-N 1 1 240.347 0.920 40 0 in-vitro BCABMO CCSC1=[NH+][C@H]2CS(=O)(=O)C[C@@H]2N1C ZINC000032508590 343236426 /nfs/dbraw/zinc/23/64/26/343236426.db2.gz BMIBVIWVEFPTHR-BQBZGAKWSA-N 1 1 234.346 0.207 40 0 BCABMO CCSC1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2N1C ZINC000032508589 343236535 /nfs/dbraw/zinc/23/65/35/343236535.db2.gz BMIBVIWVEFPTHR-RQJHMYQMSA-N 1 1 234.346 0.207 40 0 BCABMO COC(=O)C[C@H](C)N1CC[NH+](C)CC1 ZINC000035751315 187249950 /nfs/dbraw/zinc/24/99/50/187249950.db2.gz VOUMWRQYTPYQJK-VIFPVBQESA-N 1 1 200.282 0.185 40 0 BCABMO CCOC(=O)/C=C\SC[C@@H]([NH3+])C(=O)OCC ZINC000016982298 187251569 /nfs/dbraw/zinc/25/15/69/187251569.db2.gz WAQZWXSTDNAFTQ-RPSMYOMKSA-N 1 1 247.316 0.687 40 0 BCABMO CC(=O)N1CC[C@H]([N@H+](CCO)C(C)C)C1 ZINC000079405390 187263038 /nfs/dbraw/zinc/26/30/38/187263038.db2.gz GVLRIJRSHPBDMX-NSHDSACASA-N 1 1 214.309 0.310 40 0 BCABMO CO[C@@H]1C[NH2+][C@@H](c2nc3nccnc3c(=O)[nH]2)C1 ZINC000253536058 349852847 /nfs/dbraw/zinc/85/28/47/349852847.db2.gz FZPFWDQDIAOQCB-NKWVEPMBSA-N 1 1 247.258 0.175 40 0 BCABMO CO[C@@H]1C[NH2+][C@H](c2nc3nccnc3c(=O)[nH]2)C1 ZINC000253536057 349852967 /nfs/dbraw/zinc/85/29/67/349852967.db2.gz FZPFWDQDIAOQCB-BQBZGAKWSA-N 1 1 247.258 0.175 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc(OC)cc1 ZINC000096525962 343759486 /nfs/dbraw/zinc/75/94/86/343759486.db2.gz BZKNPULKHGDIRV-QWRGUYRKSA-N 1 1 220.272 0.926 40 0 BCABMO CC(C)CCNC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000042975615 343779919 /nfs/dbraw/zinc/77/99/19/343779919.db2.gz XKNLZKYQLVMQAZ-NSHDSACASA-N 1 1 228.336 0.605 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000042975615 343779923 /nfs/dbraw/zinc/77/99/23/343779923.db2.gz XKNLZKYQLVMQAZ-NSHDSACASA-N 1 1 228.336 0.605 40 0 BCABMO C[C@@H]1CN(c2[nH+]cccc2N)CC[C@@H]1O ZINC000126759534 343786753 /nfs/dbraw/zinc/78/67/53/343786753.db2.gz RUIVLAVDIMPIAF-SCZZXKLOSA-N 1 1 207.277 0.871 40 0 BCABMO CC(C)N(C(=O)C[N@H+]1CC[C@H](CO)C1)C(C)C ZINC000051886836 343788712 /nfs/dbraw/zinc/78/87/12/343788712.db2.gz MYKNTWHPUQFHNC-LBPRGKRZSA-N 1 1 242.363 0.946 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000051886741 343788747 /nfs/dbraw/zinc/78/87/47/343788747.db2.gz YEHVKLYOFUEHLC-LLVKDONJSA-N 1 1 228.336 0.463 40 0 BCABMO COC(CN(C)c1cc(N)nc(C)[nH+]1)OC ZINC000409427653 343801514 /nfs/dbraw/zinc/80/15/14/343801514.db2.gz BGVLWCDGEKDGCL-UHFFFAOYSA-N 1 1 226.280 0.422 40 0 BCABMO CC[C@H](C)[N@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409421964 343812195 /nfs/dbraw/zinc/81/21/95/343812195.db2.gz ANKDVJPNWSMCOT-AEJSXWLSSA-N 1 1 215.293 0.641 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CCC(C)C)CC[C@@H]1O ZINC000409422625 343813703 /nfs/dbraw/zinc/81/37/03/343813703.db2.gz ITROJPKQKNFTBV-QWRGUYRKSA-N 1 1 229.320 0.888 40 0 BCABMO CCCC[N@H+]1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409422897 343814331 /nfs/dbraw/zinc/81/43/31/343814331.db2.gz LZWGYLDPMNNKHF-VHSXEESVSA-N 1 1 215.293 0.642 40 0 BCABMO COC(=O)[C@@H]1C[N@H+](C(C)(C)C)CC[C@@H]1O ZINC000409423097 343814903 /nfs/dbraw/zinc/81/49/03/343814903.db2.gz ORRPEJZGYDZXNJ-BDAKNGLRSA-N 1 1 215.293 0.641 40 0 BCABMO O=Cc1cn(C[C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409423354 343815386 /nfs/dbraw/zinc/81/53/86/343815386.db2.gz BLCRINFCFGZLOB-LLVKDONJSA-N 1 1 234.303 0.823 40 0 BCABMO OCc1cn([C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409425097 343818094 /nfs/dbraw/zinc/81/80/94/343818094.db2.gz JWBBACPKULUIDR-NSHDSACASA-N 1 1 222.292 0.427 40 0 BCABMO O[C@@H]1CCO[C@]2(CCN(C3CC[NH2+]CC3)C2)C1 ZINC000409432018 343825321 /nfs/dbraw/zinc/82/53/21/343825321.db2.gz KNFZAUSMOIKRHA-CHWSQXEVSA-N 1 1 240.347 0.354 40 0 BCABMO CO[C@@H]1CCOC2(CCN(CCC[NH3+])CC2)C1 ZINC000409428763 343804305 /nfs/dbraw/zinc/80/43/05/343804305.db2.gz NAICVDQMGYWRIV-GFCCVEGCSA-N 1 1 242.363 0.995 40 0 BCABMO OCC[N@H+]1C[C@H](CO)[C@@H](c2ccccc2)C1 ZINC000409429570 343806044 /nfs/dbraw/zinc/80/60/44/343806044.db2.gz HPQIYYCQJAJIKK-CHWSQXEVSA-N 1 1 221.300 0.687 40 0 BCABMO NCC[N@@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409433645 343829767 /nfs/dbraw/zinc/82/97/67/343829767.db2.gz NBDUAAAEAFHTHR-LLVKDONJSA-N 1 1 212.337 0.820 40 0 BCABMO NCC[N@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409433645 343829769 /nfs/dbraw/zinc/82/97/69/343829769.db2.gz NBDUAAAEAFHTHR-LLVKDONJSA-N 1 1 212.337 0.820 40 0 BCABMO [NH3+]Cc1nc([C@H]([C@H]2CCOC2)n2cccc2)no1 ZINC000409442056 343856966 /nfs/dbraw/zinc/85/69/66/343856966.db2.gz SPKLOCQMUHFEFT-ONGXEEELSA-N 1 1 248.286 0.956 40 0 BCABMO [NH2+]=C(NO)[C@@H](c1ccccn1)N1CCOCC1 ZINC000409441534 343859563 /nfs/dbraw/zinc/85/95/63/343859563.db2.gz PIPCGKRKDCPCJO-SNVBAGLBSA-N 1 1 236.275 0.411 40 0 BCABMO C(c1n[nH]c2c1CCCC2)N1CC[NH2+]CC1 ZINC000052860984 259372627 /nfs/dbraw/zinc/37/26/27/259372627.db2.gz YYBVKPVIGNBNBO-UHFFFAOYSA-N 1 1 220.320 0.694 40 0 BCABMO Cn1cnc2c1C[C@H](CO)[N@H+](CC1CC1)C2 ZINC000585094552 344129625 /nfs/dbraw/zinc/12/96/25/344129625.db2.gz ATCUUJUNLQHTRF-SNVBAGLBSA-N 1 1 221.304 0.549 40 0 BCABMO Cn1cnc2c1C[C@H](CO)[N@@H+](CC1CC1)C2 ZINC000585094552 344129626 /nfs/dbraw/zinc/12/96/26/344129626.db2.gz ATCUUJUNLQHTRF-SNVBAGLBSA-N 1 1 221.304 0.549 40 0 BCABMO C[C@H]1C[C@@](C(=O)[O-])([NH+](C)C)CC[N@@H+]1C ZINC000057354489 259374377 /nfs/dbraw/zinc/37/43/77/259374377.db2.gz UCUMLWQVHMBOFH-WPRPVWTQSA-N 1 1 200.282 0.486 40 0 BCABMO C[C@H]1C[C@@](C(=O)[O-])([NH+](C)C)CC[N@H+]1C ZINC000057354489 259374379 /nfs/dbraw/zinc/37/43/79/259374379.db2.gz UCUMLWQVHMBOFH-WPRPVWTQSA-N 1 1 200.282 0.486 40 0 BCABMO C[C@H]1C[C@](C(=O)[O-])([NH+](C)C)CC[N@@H+]1C ZINC000057354491 259374664 /nfs/dbraw/zinc/37/46/64/259374664.db2.gz UCUMLWQVHMBOFH-WCBMZHEXSA-N 1 1 200.282 0.486 40 0 BCABMO C[C@H]1C[C@](C(=O)[O-])([NH+](C)C)CC[N@H+]1C ZINC000057354491 259374666 /nfs/dbraw/zinc/37/46/66/259374666.db2.gz UCUMLWQVHMBOFH-WCBMZHEXSA-N 1 1 200.282 0.486 40 0 BCABMO C[C@@H]1CCCCN1C[C@@H](O)C[NH2+]C1CC1 ZINC000216250219 259376764 /nfs/dbraw/zinc/37/67/64/259376764.db2.gz BLPDWCVUTIIFNM-PWSUYJOCSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@@H]1CCCC[N@@H+]1C[C@@H](O)CNC1CC1 ZINC000216250219 259376765 /nfs/dbraw/zinc/37/67/65/259376765.db2.gz BLPDWCVUTIIFNM-PWSUYJOCSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)CNC1CC1 ZINC000216250219 259376766 /nfs/dbraw/zinc/37/67/66/259376766.db2.gz BLPDWCVUTIIFNM-PWSUYJOCSA-N 1 1 212.337 0.974 40 0 BCABMO CCc1[nH]nc(C)c1CN1CC[NH2+]CC1 ZINC000082640822 345910749 /nfs/dbraw/zinc/91/07/49/345910749.db2.gz LSROXUKWJDOESA-UHFFFAOYSA-N 1 1 208.309 0.686 40 0 BCABMO COC1CCN(c2cc(N)nc(C)[nH+]2)CC1 ZINC000087810373 345942293 /nfs/dbraw/zinc/94/22/93/345942293.db2.gz LMGRKJRWGJOODC-UHFFFAOYSA-N 1 1 222.292 0.982 40 0 BCABMO Cc1cccc(CO[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)n1 ZINC000107359671 179103380 /nfs/dbraw/zinc/10/33/80/179103380.db2.gz PKHHPUDIVMQSLL-ZIAGYGMSSA-N 1 1 247.342 0.953 40 0 BCABMO Cc1cccc(CO[C@@H]2C[C@@H]3CNCC[N@H+]3C2)n1 ZINC000107359671 179103381 /nfs/dbraw/zinc/10/33/81/179103381.db2.gz PKHHPUDIVMQSLL-ZIAGYGMSSA-N 1 1 247.342 0.953 40 0 BCABMO CC(C)[N@@H+](C)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101676984 347287790 /nfs/dbraw/zinc/28/77/90/347287790.db2.gz OWHBLDUFFFRUGE-MNOVXSKESA-N 1 1 227.352 0.713 40 0 BCABMO CC(=O)N1CCC([N@H+]2CCC[C@H](O)C2)CC1 ZINC000200726277 347833358 /nfs/dbraw/zinc/83/33/58/347833358.db2.gz OZLWMGSWLGAKJV-LBPRGKRZSA-N 1 1 226.320 0.454 40 0 BCABMO CNc1cncc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000205701788 348578411 /nfs/dbraw/zinc/57/84/11/348578411.db2.gz HXGGSOXTQYDLKP-SNVBAGLBSA-N 1 1 236.319 0.690 40 0 BCABMO C[N@H+]1CC[C@@H](c2[nH]nc3nccnc32)C1 ZINC000205676895 348572503 /nfs/dbraw/zinc/57/25/03/348572503.db2.gz SWLPXHSDALGWRT-SSDOTTSWSA-N 1 1 203.249 0.772 40 0 BCABMO Cc1nccc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072379978 180207685 /nfs/dbraw/zinc/20/76/85/180207685.db2.gz VUAUGCINXZOIHI-LLVKDONJSA-N 1 1 221.304 0.957 40 0 BCABMO Cc1nccnc1[C@@H]1CCC[N@@H+](CCO)C1 ZINC000072381321 180281700 /nfs/dbraw/zinc/28/17/00/180281700.db2.gz SLIWTIQJEJLAMK-LLVKDONJSA-N 1 1 221.304 0.957 40 0 BCABMO CCC[N@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422528 350474425 /nfs/dbraw/zinc/47/44/25/350474425.db2.gz HWSPCANYLIKTTN-IUCAKERBSA-N 1 1 201.266 0.252 40 0 BCABMO CCO[C@@H]1CN(CCC[NH3+])C[C@@H]1OC ZINC000409436472 350478269 /nfs/dbraw/zinc/47/82/69/350478269.db2.gz ZZAAKRVVPNQTOU-VHSXEESVSA-N 1 1 202.298 0.071 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](CO)C1)NC1CCCC1 ZINC000051886614 191113505 /nfs/dbraw/zinc/11/35/05/191113505.db2.gz ALRBITRJOWIESZ-SNVBAGLBSA-N 1 1 226.320 0.359 40 0 BCABMO CC(=O)N[C@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 ZINC000079405542 188292219 /nfs/dbraw/zinc/29/22/19/188292219.db2.gz YRWHMDNLGJCEFG-QWHCGFSZSA-N 1 1 240.347 0.890 40 0 BCABMO Cc1cncc(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000072383199 188307266 /nfs/dbraw/zinc/30/72/66/188307266.db2.gz NRMYUDGJOXBGKV-UHFFFAOYSA-N 1 1 234.303 0.450 40 0 BCABMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@H]3C2)n(C)n1 ZINC000002774848 353478051 /nfs/dbraw/zinc/47/80/51/353478051.db2.gz YYHRAYKIFCZBTB-NSHDSACASA-N 1 1 248.330 0.649 40 0 BCABMO NC(=O)CC[N@H+]1CCC[C@H]1c1ccncn1 ZINC000257255043 181224643 /nfs/dbraw/zinc/22/46/43/181224643.db2.gz KFVHDYVUIKCREV-JTQLQIEISA-N 1 1 220.276 0.489 40 0 BCABMO NC(=O)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000049813170 181279665 /nfs/dbraw/zinc/27/96/65/181279665.db2.gz LFSGCEMSZBMVRO-JTQLQIEISA-N 1 1 205.261 0.704 40 0 BCABMO O=C(C[N@@H+]1CCC[C@@H](CO)C1)N1CCCCC1 ZINC000047916195 358607440 /nfs/dbraw/zinc/60/74/40/358607440.db2.gz LPGGBWMITFLJJM-GFCCVEGCSA-N 1 1 240.347 0.703 40 0 BCABMO NCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035018167 181353011 /nfs/dbraw/zinc/35/30/11/181353011.db2.gz YPWKQQRQPOSWHR-GFCCVEGCSA-N 1 1 233.315 0.336 40 0 BCABMO NCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035018167 181353012 /nfs/dbraw/zinc/35/30/12/181353012.db2.gz YPWKQQRQPOSWHR-GFCCVEGCSA-N 1 1 233.315 0.336 40 0 BCABMO NCC1(C[NH3+])C[C@@H]1S(=O)(=O)c1ccccc1 ZINC000217976703 181358554 /nfs/dbraw/zinc/35/85/54/181358554.db2.gz XCFDOUZWKJUFBR-JTQLQIEISA-N 1 1 240.328 0.136 40 0 BCABMO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1CO ZINC000072223672 259532688 /nfs/dbraw/zinc/53/26/88/259532688.db2.gz GQGVKNGNEKSCNL-UHFFFAOYSA-N 1 1 235.287 0.161 40 0 BCABMO [NH3+]CCCN1C[C@H]2C[C@@H](C1)Cn1c(=O)cccc12 ZINC000034650967 181380691 /nfs/dbraw/zinc/38/06/91/181380691.db2.gz QKNHBHAWXBIPFZ-NWDGAFQWSA-N 1 1 247.342 0.616 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@H](C)[C@H]([C@H](C)O)[C@@H]1C ZINC000108364144 369391736 /nfs/dbraw/zinc/39/17/36/369391736.db2.gz DCBCKPVQVGMBSL-SQXHDICFSA-N 1 1 215.293 0.543 40 0 BCABMO CN1CC[C@H]([NH3+])[C@H](Cc2ccncc2)C1 ZINC000074188493 369867273 /nfs/dbraw/zinc/86/72/73/369867273.db2.gz DLDOHIRLUOCARN-NEPJUHHUSA-N 1 1 205.305 0.903 40 0 BCABMO CSCC[C@H]([NH3+])CN1CCN(C)CC1 ZINC000019852812 371194256 /nfs/dbraw/zinc/19/42/56/371194256.db2.gz GHZQVYQQWCVQPL-JTQLQIEISA-N 1 1 217.382 0.314 40 0 BCABMO CCOC(=O)C(F)(F)[C@@]1(O)C[NH+]2CCC1CC2 ZINC000052254329 170188053 /nfs/dbraw/zinc/18/80/53/170188053.db2.gz VOHWHCANDGYLNB-SNVBAGLBSA-N 1 1 249.257 0.642 40 0 BCABMO OCC[N@H+]1CCC[C@H]1c1ccnc2nccn21 ZINC000257281635 183075624 /nfs/dbraw/zinc/07/56/24/183075624.db2.gz OQFJGAWWTJXCSE-JTQLQIEISA-N 1 1 232.287 0.859 40 0 BCABMO c1c(C[NH+]2CCCCC2)nc2n1CCNC2 ZINC000096067975 183322111 /nfs/dbraw/zinc/32/21/11/183322111.db2.gz SESSYWWTROCVDE-UHFFFAOYSA-N 1 1 220.320 0.972 40 0 BCABMO CCC[N@H+]1CCc2[nH]c(=NN)ncc2C1 ZINC000049474159 169207861 /nfs/dbraw/zinc/20/78/61/169207861.db2.gz AKBBSLDAOUQQKT-UHFFFAOYSA-N 1 1 207.281 0.530 40 0 BCABMO CCCNC(=O)NCCC[NH+]1CCOCC1 ZINC000057580437 169236832 /nfs/dbraw/zinc/23/68/32/169236832.db2.gz TWHBLYJWBPTWGM-UHFFFAOYSA-N 1 1 229.324 0.418 40 0 BCABMO c1ccc(-c2n[nH]c(CN3CC[NH2+]CC3)n2)cc1 ZINC000051658860 183381784 /nfs/dbraw/zinc/38/17/84/183381784.db2.gz LXIVZBANBPFGIP-UHFFFAOYSA-N 1 1 243.314 0.877 40 0 BCABMO c1ccc(-c2nc(CN3CC[NH2+]CC3)n[nH]2)cc1 ZINC000051658860 183381786 /nfs/dbraw/zinc/38/17/86/183381786.db2.gz LXIVZBANBPFGIP-UHFFFAOYSA-N 1 1 243.314 0.877 40 0 BCABMO c1ccc(C[N@H+]2C[C@@H]3COC[C@H](C2)N3)cc1 ZINC000091304987 183403514 /nfs/dbraw/zinc/40/35/14/183403514.db2.gz CJHJMYYZZUEKSD-BETUJISGSA-N 1 1 218.300 0.859 40 0 BCABMO C[NH+](C)[C@@H]1C[C@@H](C(N)=O)N[C@H]1c1ccccc1 ZINC000257306755 383931428 /nfs/dbraw/zinc/93/14/28/383931428.db2.gz SVROTRBWMBZJLJ-TUAOUCFPSA-N 1 1 233.315 0.505 40 0 BCABMO CC(C)[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@@H+](C)C1 ZINC000070822473 383965708 /nfs/dbraw/zinc/96/57/08/383965708.db2.gz AWLKTGXMEDABLA-QWRGUYRKSA-N 1 1 227.352 0.380 40 0 BCABMO CC[N@@H+](CCO)[C@H]1CCCN(C(C)=O)C1 ZINC000079405349 384133264 /nfs/dbraw/zinc/13/32/64/384133264.db2.gz PLBXLWGBERAEML-NSHDSACASA-N 1 1 214.309 0.312 40 0 BCABMO CC(=O)N1CC[C@H](C[N@H+](CCN)C2CC2)C1 ZINC000079405729 384136517 /nfs/dbraw/zinc/13/65/17/384136517.db2.gz TVRXNJGLIVFONU-NSHDSACASA-N 1 1 225.336 0.278 40 0 BCABMO CC(=O)N1CC[C@H](C[N@@H+](CCN)C2CC2)C1 ZINC000079405729 384136524 /nfs/dbraw/zinc/13/65/24/384136524.db2.gz TVRXNJGLIVFONU-NSHDSACASA-N 1 1 225.336 0.278 40 0 BCABMO CC(=O)N(C[C@@H]1CCC[N@@H+](CCO)C1)C(C)C ZINC000079416525 384140546 /nfs/dbraw/zinc/14/05/46/384140546.db2.gz RYSQBIPXQADSJX-CYBMUJFWSA-N 1 1 242.363 0.948 40 0 BCABMO CC(C)[N@@H+](C)[C@H]1CCCN(CCO)C1 ZINC000079418490 384143132 /nfs/dbraw/zinc/14/31/32/384143132.db2.gz RRAOJWNLOLLWRJ-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO C[N@@H+](CCO)Cc1ccc2c(c1)OCCO2 ZINC000079421378 384143646 /nfs/dbraw/zinc/14/36/46/384143646.db2.gz WFSPMIVSZGKWAB-UHFFFAOYSA-N 1 1 223.272 0.882 40 0 BCABMO Cn1cc2c(n1)[C@H](C(N)=O)C[N@@H+](C1CCCC1)C2 ZINC000072352012 384209913 /nfs/dbraw/zinc/20/99/13/384209913.db2.gz NPJAJUCTFSQNOP-LLVKDONJSA-N 1 1 248.330 0.747 40 0 BCABMO CNc1cc([C@@H]2CC[N@@H+]2CCO)nc(C)n1 ZINC000072387421 384219600 /nfs/dbraw/zinc/21/96/00/384219600.db2.gz KWEGFXSLOCIUHC-JTQLQIEISA-N 1 1 222.292 0.566 40 0 BCABMO CNc1cc([C@@H]2CC[N@H+]2CCO)nc(C)n1 ZINC000072387421 384219606 /nfs/dbraw/zinc/21/96/06/384219606.db2.gz KWEGFXSLOCIUHC-JTQLQIEISA-N 1 1 222.292 0.566 40 0 BCABMO Cn1c(=O)ccc2c1CC[N@H+]([C@H]1CCOC1)CC2 ZINC000096196638 384443430 /nfs/dbraw/zinc/44/34/30/384443430.db2.gz UNXJBBBTHSZWST-LBPRGKRZSA-N 1 1 248.326 0.575 40 0 BCABMO CC[N@H+](CCN)C[C@H]1CCCN(C(C)=O)C1 ZINC000079422709 384496573 /nfs/dbraw/zinc/49/65/73/384496573.db2.gz TWIJCKZRQPNJAO-GFCCVEGCSA-N 1 1 227.352 0.526 40 0 BCABMO CC[N@@H+](CCN)C[C@H]1CCCN(C(C)=O)C1 ZINC000079422709 384496577 /nfs/dbraw/zinc/49/65/77/384496577.db2.gz TWIJCKZRQPNJAO-GFCCVEGCSA-N 1 1 227.352 0.526 40 0 BCABMO COC[C@H]1[NH2+]CCc2c1nnn2CC1CC1 ZINC000306133554 384668686 /nfs/dbraw/zinc/66/86/86/384668686.db2.gz MPKACZGYOSMTRT-SECBINFHSA-N 1 1 222.292 0.521 40 0 BCABMO O=C1C[C@@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1 ZINC000107251387 384957573 /nfs/dbraw/zinc/95/75/73/384957573.db2.gz YLTBRRNUFCZPPW-VHSXEESVSA-N 1 1 206.245 0.742 40 0 BCABMO O=C1NCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000107824600 385001279 /nfs/dbraw/zinc/00/12/79/385001279.db2.gz QNPGOMXWJYATHN-QWRGUYRKSA-N 1 1 220.272 0.848 40 0 BCABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2C)cc1 ZINC000072228253 385127695 /nfs/dbraw/zinc/12/76/95/385127695.db2.gz BHDWLHBPHVMIAX-ZJUUUORDSA-N 1 1 206.245 0.536 40 0 BCABMO COc1cccc([C@@H]2[C@H]([NH3+])C(=O)N2C)c1 ZINC000072228266 385128247 /nfs/dbraw/zinc/12/82/47/385128247.db2.gz SJYFTWUELWMCBE-VHSXEESVSA-N 1 1 206.245 0.536 40 0 BCABMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000127978146 385317598 /nfs/dbraw/zinc/31/75/98/385317598.db2.gz OXZRTDZFPXKNBV-SNVBAGLBSA-N 1 1 209.293 0.983 40 0 BCABMO O=C(C[N@H+]1CC[C@H](CO)C1)Nc1ccccc1 ZINC000051887070 385320288 /nfs/dbraw/zinc/32/02/88/385320288.db2.gz NGRKEGVBLQBRPL-NSHDSACASA-N 1 1 234.299 0.939 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](CO)C1)Nc1ccccc1 ZINC000051887070 385320293 /nfs/dbraw/zinc/32/02/93/385320293.db2.gz NGRKEGVBLQBRPL-NSHDSACASA-N 1 1 234.299 0.939 40 0 BCABMO C[C@@H]([NH3+])C(=O)N1CCN(C2CCCC2)CC1 ZINC000052062648 385320302 /nfs/dbraw/zinc/32/03/02/385320302.db2.gz QZCUSDYHKLHGAI-SNVBAGLBSA-N 1 1 225.336 0.420 40 0 BCABMO COC(=O)[C@@H]([NH3+])[C@@H](C)Sc1nccn1C ZINC000169726757 385418816 /nfs/dbraw/zinc/41/88/16/385418816.db2.gz VXAUTJVHKJCFFV-RQJHMYQMSA-N 1 1 229.305 0.401 40 0 BCABMO O=C([C@@H]1CCC[N@H+]1C[C@@H]1CO1)N1CCCCC1 ZINC000095097828 385453676 /nfs/dbraw/zinc/45/36/76/385453676.db2.gz NCYMFWSTTPFFTI-NEPJUHHUSA-N 1 1 238.331 0.862 40 0 BCABMO Cc1noc([C@@]2(C)CCC[N@@H+](CCO)C2)n1 ZINC000257207628 385753409 /nfs/dbraw/zinc/75/34/09/385753409.db2.gz BINSXSTYVGSVAC-NSHDSACASA-N 1 1 225.292 0.724 40 0 BCABMO Cn1ccnc1C[N@H+]1CCC[C@](C)(C(N)=O)C1 ZINC000257249245 385755092 /nfs/dbraw/zinc/75/50/92/385755092.db2.gz JHLZBNGGGPZURC-LBPRGKRZSA-N 1 1 236.319 0.508 40 0 BCABMO CN[C@H]1[C@H]([NH3+])C[C@@H](Oc2ccccc2)[C@@H]1O ZINC000257236137 385755492 /nfs/dbraw/zinc/75/54/92/385755492.db2.gz HAYFRNRJZRYQLO-WYUUTHIRSA-N 1 1 222.288 0.114 40 0 BCABMO CO[C@H]1C[N@@H+](CCC(N)=O)CC[C@@]12CCCO2 ZINC000257284499 385761166 /nfs/dbraw/zinc/76/11/66/385761166.db2.gz PCXOHUBAWLOOOY-JQWIXIFHSA-N 1 1 242.319 0.132 40 0 BCABMO O[C@@H](CNC1CC1)C[NH+]1CCCCCC1 ZINC000036950372 385825131 /nfs/dbraw/zinc/82/51/31/385825131.db2.gz FHIFALDYXOHGMX-LBPRGKRZSA-N 1 1 212.337 0.975 40 0 BCABMO O[C@@H](C[NH2+]C1CC1)CN1CCCCCC1 ZINC000036950372 385825136 /nfs/dbraw/zinc/82/51/36/385825136.db2.gz FHIFALDYXOHGMX-LBPRGKRZSA-N 1 1 212.337 0.975 40 0 BCABMO C[C@@](N)(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858223 385899526 /nfs/dbraw/zinc/89/95/26/385899526.db2.gz KWHTYQAVFBSINF-JSGCOSHPSA-N 1 1 247.342 0.714 40 0 BCABMO C[NH2+][C@@H](C(N)=O)c1cc(F)ccc1F ZINC000037869740 386105958 /nfs/dbraw/zinc/10/59/58/386105958.db2.gz HMJDZTZVUSGDDF-MRVPVSSYSA-N 1 1 200.188 0.711 40 0 BCABMO Cc1cc(C)n(C(=O)CN2CC[NH+](C)CC2)n1 ZINC000059428073 386478259 /nfs/dbraw/zinc/47/82/59/386478259.db2.gz NZINBBIIFCBUQT-UHFFFAOYSA-N 1 1 236.319 0.388 40 0 BCABMO COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)[C@@H](O)[C@@H]1CCC[N@@H+]12 ZINC000216526480 388356223 /nfs/dbraw/zinc/35/62/23/388356223.db2.gz GRLNGRUGXJVCJH-LDMBFOFVSA-N 1 1 239.315 0.783 40 0 BCABMO c1cnn(Cc2cnc3n2CC[NH2+]C3)c1 ZINC000107488093 388616788 /nfs/dbraw/zinc/61/67/88/388616788.db2.gz CSHGXDPBGLNYKR-UHFFFAOYSA-N 1 1 203.249 0.231 40 0 BCABMO c1cnn(Cc2cn3c(n2)C[NH2+]CC3)c1 ZINC000107488086 388616814 /nfs/dbraw/zinc/61/68/14/388616814.db2.gz KGCIGUKZVDRRNB-UHFFFAOYSA-N 1 1 203.249 0.231 40 0 BCABMO CCN(CC)CC[NH2+]Cc1cnc(N)nc1 ZINC000062718371 388656068 /nfs/dbraw/zinc/65/60/68/388656068.db2.gz WBMHMFJFLTXGRF-UHFFFAOYSA-N 1 1 223.324 0.490 40 0 BCABMO CC(=O)N(C[C@@H]1CCC[N@H+]1CCO)C1CC1 ZINC000079416559 388747983 /nfs/dbraw/zinc/74/79/83/388747983.db2.gz ISPYYRIUPAZBNC-LBPRGKRZSA-N 1 1 226.320 0.454 40 0 BCABMO O=C([C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1)N1CCCC1 ZINC000095097812 388760506 /nfs/dbraw/zinc/76/05/06/388760506.db2.gz XWPLFLQCOWOYEH-VXGBXAGGSA-N 1 1 238.331 0.720 40 0 BCABMO NC(=O)C1CCN(c2[nH+]cccc2N)CC1 ZINC000019258224 132324223 /nfs/dbraw/zinc/32/42/23/132324223.db2.gz FGXAUOSXDZUCHI-UHFFFAOYSA-N 1 1 220.276 0.366 40 0 BCABMO Nc1ccc[nH+]c1N1CCC[C@@H](CO)C1 ZINC000036227027 132341100 /nfs/dbraw/zinc/34/11/00/132341100.db2.gz GTAVPTANODKBRV-SECBINFHSA-N 1 1 207.277 0.873 40 0 BCABMO CC(C)NC(=O)CN1CCC(C[NH3+])CC1 ZINC000019843228 167051499 /nfs/dbraw/zinc/05/14/99/167051499.db2.gz WVQJVTUSBRRQLY-UHFFFAOYSA-N 1 1 213.325 0.182 40 0 BCABMO CC(C)OC(=O)NCCC[NH+]1CCOCC1 ZINC000031601653 167163637 /nfs/dbraw/zinc/16/36/37/167163637.db2.gz JGHGLAOUSQKGNQ-UHFFFAOYSA-N 1 1 230.308 0.843 40 0 BCABMO CC[N@H+]1CCc2nc(NN)nc(C)c2C1 ZINC000049474131 170024898 /nfs/dbraw/zinc/02/48/98/170024898.db2.gz NWYCOOCNURMCLV-UHFFFAOYSA-N 1 1 207.281 0.449 40 0 BCABMO CCOC(=O)[C@@H]([NH3+])Cc1cccc(O)c1 ZINC000044339419 170253715 /nfs/dbraw/zinc/25/37/15/170253715.db2.gz KWVNUXHFFRWCGL-JTQLQIEISA-N 1 1 209.245 0.825 40 0 BCABMO CCOC(=O)[C@@]12CCCN[C@@H]1CC[NH2+]C2 ZINC000044138158 170263548 /nfs/dbraw/zinc/26/35/48/170263548.db2.gz UTPBCDAWLFRZHF-MWLCHTKSSA-N 1 1 212.293 0.281 40 0 BCABMO CCOC(=O)[C@H]([NH3+])Cc1cccc(O)c1 ZINC000036040002 170274732 /nfs/dbraw/zinc/27/47/32/170274732.db2.gz KWVNUXHFFRWCGL-SNVBAGLBSA-N 1 1 209.245 0.825 40 0 BCABMO CCOC(=O)c1c[nH]c2nc[nH+]c(N)c12 ZINC000085220996 170290272 /nfs/dbraw/zinc/29/02/72/170290272.db2.gz YRKROIRANZPIQT-UHFFFAOYSA-N 1 1 206.205 0.717 40 0 BCABMO CCOC[C@@H]1C[NH2+]Cc2nnn(CC)c21 ZINC000306135276 170444401 /nfs/dbraw/zinc/44/44/01/170444401.db2.gz OMIXUMBACYREPR-QMMMGPOBSA-N 1 1 210.281 0.521 40 0 BCABMO CN(C(=O)OC(C)(C)C)[C@H]1CC[N@@H+](CCO)C1 ZINC000079407860 172325351 /nfs/dbraw/zinc/32/53/51/172325351.db2.gz GSAYLPAXDXBYGG-JTQLQIEISA-N 1 1 244.335 0.920 40 0 BCABMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccnn2C)C1 ZINC000019745434 172385095 /nfs/dbraw/zinc/38/50/95/172385095.db2.gz KOVYJHLZPDOMMS-SNVBAGLBSA-N 1 1 236.319 0.330 40 0 BCABMO CN(C)C(=O)[C@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000072368018 172386022 /nfs/dbraw/zinc/38/60/22/172386022.db2.gz DTXOORRWVWFXPO-JTQLQIEISA-N 1 1 236.319 0.710 40 0 BCABMO CN(C)C(=O)[C@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072368018 172386023 /nfs/dbraw/zinc/38/60/23/172386023.db2.gz DTXOORRWVWFXPO-JTQLQIEISA-N 1 1 236.319 0.710 40 0 BCABMO C[N@@H+]1CCCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079407049 173005279 /nfs/dbraw/zinc/00/52/79/173005279.db2.gz UKPGQPMLRMFOQH-LLVKDONJSA-N 1 1 225.336 0.420 40 0 BCABMO C[N@H+]1CCCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079407049 173005282 /nfs/dbraw/zinc/00/52/82/173005282.db2.gz UKPGQPMLRMFOQH-LLVKDONJSA-N 1 1 225.336 0.420 40 0 BCABMO C[NH+]1CCN(CC(=O)Nc2cccc(O)c2)CC1 ZINC000022585603 173078001 /nfs/dbraw/zinc/07/80/01/173078001.db2.gz ZEGXSCZODDZCRR-UHFFFAOYSA-N 1 1 249.314 0.578 40 0 BCABMO CN1CCN(CC2([NH3+])CCCCC2)CC1 ZINC000019727534 173079567 /nfs/dbraw/zinc/07/95/67/173079567.db2.gz QHKMCJBPTGGOTI-UHFFFAOYSA-N 1 1 211.353 0.895 40 0 BCABMO C[NH+]1CCN(C[C@@H](O)COC(C)(C)C)CC1 ZINC000022822295 173085795 /nfs/dbraw/zinc/08/57/95/173085795.db2.gz YHDBRZILQIAGIO-LLVKDONJSA-N 1 1 230.352 0.410 40 0 BCABMO C[N@H+]1CCO[C@@H]2CN(Cc3ccccn3)C[C@@H]2C1 ZINC000096218198 173104664 /nfs/dbraw/zinc/10/46/64/173104664.db2.gz LRILETPHWFKTTC-GXTWGEPZSA-N 1 1 247.342 0.844 40 0 BCABMO C[N@@H+]1CCO[C@@](C)(C(=O)N2CCSCC2)C1 ZINC000257326199 173106003 /nfs/dbraw/zinc/10/60/03/173106003.db2.gz WWFSORLEMFGCJO-LLVKDONJSA-N 1 1 244.360 0.283 40 0 BCABMO C[N@H+]1CCO[C@@](C)(C(=O)N2CCSCC2)C1 ZINC000257326199 173106005 /nfs/dbraw/zinc/10/60/05/173106005.db2.gz WWFSORLEMFGCJO-LLVKDONJSA-N 1 1 244.360 0.283 40 0 BCABMO C[N@H+]1CCO[C@H](N2CCOCC2)C(C)(C)C1 ZINC000001580585 173109018 /nfs/dbraw/zinc/10/90/18/173109018.db2.gz BYVNEBGBBCYIQI-NSHDSACASA-N 1 1 228.336 0.633 40 0 BCABMO C[N@@H+]1CCO[C@](C)(C(=O)NCc2ccccn2)C1 ZINC000072379355 173111078 /nfs/dbraw/zinc/11/10/78/173111078.db2.gz XHLUFUMSOHMRGE-ZDUSSCGKSA-N 1 1 249.314 0.419 40 0 BCABMO C[N@H+]1CCO[C@](C)(C(=O)NCc2ccccn2)C1 ZINC000072379355 173111079 /nfs/dbraw/zinc/11/10/79/173111079.db2.gz XHLUFUMSOHMRGE-ZDUSSCGKSA-N 1 1 249.314 0.419 40 0 BCABMO C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)Cc1ccccn1 ZINC000096184232 173135971 /nfs/dbraw/zinc/13/59/71/173135971.db2.gz ZAJRZGQTONVSQU-QWHCGFSZSA-N 1 1 245.326 0.929 40 0 BCABMO C[N@H+]1CC[C@H](C[NH+](CC(=O)[O-])C2CC2)C1 ZINC000083318607 173143729 /nfs/dbraw/zinc/14/37/29/173143729.db2.gz YUMYCSDOTCPUAC-VIFPVBQESA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+]1CC[C@H](C[N@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318607 173143731 /nfs/dbraw/zinc/14/37/31/173143731.db2.gz YUMYCSDOTCPUAC-VIFPVBQESA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+]1CC[C@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318607 173143733 /nfs/dbraw/zinc/14/37/33/173143733.db2.gz YUMYCSDOTCPUAC-VIFPVBQESA-N 1 1 212.293 0.487 40 0 BCABMO CN1CCCC[C@@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072374027 173176897 /nfs/dbraw/zinc/17/68/97/173176897.db2.gz RRKZRJNFAYRMEE-SNVBAGLBSA-N 1 1 235.335 0.880 40 0 BCABMO C[N@@H+]1C[C@H]2CN(C(=O)c3ccncc3)C[C@H]2C1 ZINC000063527628 173198558 /nfs/dbraw/zinc/19/85/58/173198558.db2.gz JQKXQRLGKITTPX-TXEJJXNPSA-N 1 1 231.299 0.715 40 0 BCABMO CNC(=O)[C@]1(C)C[N@H+](C2CCOCC2)CCO1 ZINC000072379748 173308767 /nfs/dbraw/zinc/30/87/67/173308767.db2.gz RUPTZFHFYSMQDX-LBPRGKRZSA-N 1 1 242.319 0.002 40 0 BCABMO C[NH2+]CC(=O)N1CCN(C2CCCC2)CC1 ZINC000052062695 173326583 /nfs/dbraw/zinc/32/65/83/173326583.db2.gz LZYVDPUAACIQAY-UHFFFAOYSA-N 1 1 225.336 0.293 40 0 BCABMO C[NH2+]Cc1nc(-c2ccc(=O)[nH]c2)no1 ZINC000328579570 173395902 /nfs/dbraw/zinc/39/59/02/173395902.db2.gz PCOOPEJTKBVLFG-UHFFFAOYSA-N 1 1 206.205 0.557 40 0 BCABMO COCC[N@@H+]1CC[C@@H]1c1cc(N)nc(C)n1 ZINC000072387438 174313949 /nfs/dbraw/zinc/31/39/49/174313949.db2.gz FAPUGYSSRSQIOZ-SNVBAGLBSA-N 1 1 222.292 0.760 40 0 BCABMO COCC[N@H+]1CC[C@@H]1c1cc(N)nc(C)n1 ZINC000072387438 174313950 /nfs/dbraw/zinc/31/39/50/174313950.db2.gz FAPUGYSSRSQIOZ-SNVBAGLBSA-N 1 1 222.292 0.760 40 0 BCABMO COc1ccc(-c2noc(C[NH3+])n2)cn1 ZINC000073640970 175043324 /nfs/dbraw/zinc/04/33/24/175043324.db2.gz RQNBOGSYZUQYPW-UHFFFAOYSA-N 1 1 206.205 0.599 40 0 BCABMO COc1ccc(C[N@H+](CCO)C2CC2)nn1 ZINC000079422404 175097687 /nfs/dbraw/zinc/09/76/87/175097687.db2.gz GKTXNKCBZZSBFQ-UHFFFAOYSA-N 1 1 223.276 0.442 40 0 BCABMO COc1ccc(C[N@@H+](CCO)C2CC2)nn1 ZINC000079422404 175097689 /nfs/dbraw/zinc/09/76/89/175097689.db2.gz GKTXNKCBZZSBFQ-UHFFFAOYSA-N 1 1 223.276 0.442 40 0 BCABMO COc1ccc(OC(=O)[C@H](C)[NH3+])cc1OC ZINC000066345618 175162865 /nfs/dbraw/zinc/16/28/65/175162865.db2.gz UZZMVFQGOZFBMA-ZETCQYMHSA-N 1 1 225.244 0.956 40 0 BCABMO COc1cccc([C@@H]([NH3+])c2nc(N)n[nH]2)c1 ZINC000095533627 175288588 /nfs/dbraw/zinc/28/85/88/175288588.db2.gz WQOOQVADEJENRP-MRVPVSSYSA-N 1 1 219.248 0.444 40 0 BCABMO C[C@@H]1C[N@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419823 176291853 /nfs/dbraw/zinc/29/18/53/176291853.db2.gz VBEKMNXJHBOWCT-SNVBAGLBSA-N 1 1 244.335 0.920 40 0 BCABMO C[C@@H]1C[N@@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419823 176291854 /nfs/dbraw/zinc/29/18/54/176291854.db2.gz VBEKMNXJHBOWCT-SNVBAGLBSA-N 1 1 244.335 0.920 40 0 BCABMO C[C@@H]1CN(S(=O)(=O)c2ccccn2)CC[NH2+]1 ZINC000079440634 176314589 /nfs/dbraw/zinc/31/45/89/176314589.db2.gz QBSUJFRAVFMRLL-SECBINFHSA-N 1 1 241.316 0.064 40 0 BCABMO C[C@H]([C@H]1CCC[N@@H+]1CCN)n1cccn1 ZINC000022763112 177032046 /nfs/dbraw/zinc/03/20/46/177032046.db2.gz MPSQJZDDRRZRKC-GHMZBOCLSA-N 1 1 208.309 0.867 40 0 BCABMO C[C@H]([C@H]1CCC[N@H+]1CCN)n1cccn1 ZINC000022763112 177032047 /nfs/dbraw/zinc/03/20/47/177032047.db2.gz MPSQJZDDRRZRKC-GHMZBOCLSA-N 1 1 208.309 0.867 40 0 BCABMO C[C@H]1CCCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000022585628 177072672 /nfs/dbraw/zinc/07/26/72/177072672.db2.gz YVYKZJJALXBMFR-LBPRGKRZSA-N 1 1 239.363 0.635 40 0 BCABMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccccn1 ZINC000079440644 177284787 /nfs/dbraw/zinc/28/47/87/177284787.db2.gz OYFMADLXDSIOAO-VIFPVBQESA-N 1 1 241.316 0.064 40 0 BCABMO Cc1cc(C[NH2+]Cc2ccnn2C)n(C)n1 ZINC000084244550 178027332 /nfs/dbraw/zinc/02/73/32/178027332.db2.gz IMQKAFBMFTWNGY-UHFFFAOYSA-N 1 1 219.292 0.752 40 0 BCABMO COC(=O)c1ccc(CN2CC[NH+](C)CC2)o1 ZINC000022867289 136222278 /nfs/dbraw/zinc/22/22/78/136222278.db2.gz SBEBMQVEVPVPBX-UHFFFAOYSA-N 1 1 238.287 0.814 40 0 BCABMO CCOC(=O)[C@@H](N)[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000072210532 259316819 /nfs/dbraw/zinc/31/68/19/259316819.db2.gz PMYBFVWNHFTXAD-WDEREUQCSA-N 1 1 244.335 0.234 40 0 BCABMO CO[C@@H]1CC[C@H](O)[C@@H](C(=O)C[NH+](C)C)C1 ZINC000004722607 342751286 /nfs/dbraw/zinc/75/12/86/342751286.db2.gz ZXDNAIGDURZJFE-UTLUCORTSA-N 1 1 215.293 0.293 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCC[C@@H](O)C2)C1 ZINC000259007166 342821628 /nfs/dbraw/zinc/82/16/28/342821628.db2.gz HOBPYVULGBQAIM-WDEREUQCSA-N 1 1 226.320 0.312 40 0 BCABMO Nc1ncc(C[NH2+]Cc2ccccn2)cn1 ZINC000062717398 259329592 /nfs/dbraw/zinc/32/95/92/259329592.db2.gz PEQXBVWRLOPNRV-UHFFFAOYSA-N 1 1 215.260 0.744 40 0 BCABMO COC(=O)c1ccc(N2CC[NH+](C)CC2)nn1 ZINC000113029824 346902733 /nfs/dbraw/zinc/90/27/33/346902733.db2.gz GTBFOHPZTSAGHZ-UHFFFAOYSA-N 1 1 236.275 0.015 40 0 BCABMO CC[C@](C)(C(=O)OC)N1CC[NH+](C)CC1 ZINC000022123525 343040447 /nfs/dbraw/zinc/04/04/47/343040447.db2.gz CDMXKVNVXHUWLR-LLVKDONJSA-N 1 1 214.309 0.576 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CC(C)C)CC[C@@H]1O ZINC000259667099 343137754 /nfs/dbraw/zinc/13/77/54/343137754.db2.gz ALKTVBNPPKMOSL-UWVGGRQHSA-N 1 1 215.293 0.498 40 0 BCABMO [NH3+][C@H]1CS[C@@H](CCCCC(=O)[O-])[C@@H]1[NH3+] ZINC000032560780 343237983 /nfs/dbraw/zinc/23/79/83/343237983.db2.gz JKNCSZDPWAVQAI-ACLDMZEESA-N 1 1 218.322 0.401 40 0 in-vitro BCABMO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1O ZINC000260858469 343245827 /nfs/dbraw/zinc/24/58/27/343245827.db2.gz WYULCMDCPPGORM-AXFHLTTASA-N 1 1 243.303 0.021 40 0 BCABMO Brc1ncn2c1C[NH2+]CC2 ZINC000040443071 343403223 /nfs/dbraw/zinc/40/32/23/343403223.db2.gz FZVYWFCPGHIQIN-UHFFFAOYSA-N 1 1 202.055 0.749 40 0 BCABMO CC(C)N1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000036189979 343779392 /nfs/dbraw/zinc/77/93/92/343779392.db2.gz FJQMGMPVYUYCPX-LBPRGKRZSA-N 1 1 239.363 0.539 40 0 BCABMO OCc1cn(C2C[NH+](CC3CC3)C2)nn1 ZINC000409428070 343802462 /nfs/dbraw/zinc/80/24/62/343802462.db2.gz YSIOFCUEEDKXFF-UHFFFAOYSA-N 1 1 208.265 0.037 40 0 BCABMO CC(C)CCNC(=O)C[NH+]1CCC(O)CC1 ZINC000042367086 343780400 /nfs/dbraw/zinc/78/04/00/343780400.db2.gz JOUWNQBOPUVKCJ-UHFFFAOYSA-N 1 1 228.336 0.605 40 0 BCABMO CC1CCN(C(=O)C[N@H+]2CC[C@H](CO)C2)CC1 ZINC000051886712 343788674 /nfs/dbraw/zinc/78/86/74/343788674.db2.gz NQWCSSUIYJYRKF-LBPRGKRZSA-N 1 1 240.347 0.559 40 0 BCABMO CC(=O)N1CCC([N@H+]2CCC[C@@H](O)C2)CC1 ZINC000200726315 343791821 /nfs/dbraw/zinc/79/18/21/343791821.db2.gz OZLWMGSWLGAKJV-GFCCVEGCSA-N 1 1 226.320 0.454 40 0 BCABMO OCc1cn(C[C@@H]2CCC[N@H+]2CCF)nn1 ZINC000409427013 343799465 /nfs/dbraw/zinc/79/94/65/343799465.db2.gz TXJBBKVTMKWKJN-JTQLQIEISA-N 1 1 228.271 0.204 40 0 BCABMO OCC[N@H+]1C[C@H](CO)[C@@H](C(F)(F)F)C1 ZINC000409427455 343801022 /nfs/dbraw/zinc/80/10/22/343801022.db2.gz FGPFAMPQUDWWII-RQJHMYQMSA-N 1 1 213.199 0.081 40 0 BCABMO OCc1cn(C[C@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000409427757 343801702 /nfs/dbraw/zinc/80/17/02/343801702.db2.gz XQELXTXZUDTTJN-JTQLQIEISA-N 1 1 242.298 0.452 40 0 BCABMO CC[C@H](C)[N@H+]1CC[C@@H](O)[C@@H](C(=O)OC)C1 ZINC000409421967 343812019 /nfs/dbraw/zinc/81/20/19/343812019.db2.gz ANKDVJPNWSMCOT-LPEHRKFASA-N 1 1 215.293 0.641 40 0 BCABMO CCn1cccc(-c2noc(C[NH2+]C)n2)c1=O ZINC000409423184 343814717 /nfs/dbraw/zinc/81/47/17/343814717.db2.gz LVKJTEPMCAWYLP-UHFFFAOYSA-N 1 1 234.259 0.638 40 0 BCABMO CC[N@H+]1CCCC[C@H]1Cn1cc(C=O)nn1 ZINC000409423405 343815219 /nfs/dbraw/zinc/81/52/19/343815219.db2.gz BPPOLMZTVXAYKR-NSHDSACASA-N 1 1 222.292 0.965 40 0 BCABMO CC[N@H+]1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000409423629 343815766 /nfs/dbraw/zinc/81/57/66/343815766.db2.gz CIVYZHQORFUHNT-SNVBAGLBSA-N 1 1 224.308 0.502 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CC2CC2)CC[C@H]1O ZINC000409423754 343816372 /nfs/dbraw/zinc/81/63/72/343816372.db2.gz USQIXVGBMPVIKR-VHSXEESVSA-N 1 1 213.277 0.252 40 0 BCABMO O=Cc1cn(CC2CC[NH+](CCF)CC2)nn1 ZINC000409424212 343817170 /nfs/dbraw/zinc/81/71/70/343817170.db2.gz FWUQPFDSPQJWKW-UHFFFAOYSA-N 1 1 240.282 0.772 40 0 BCABMO C[C@@H](O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409425148 343818089 /nfs/dbraw/zinc/81/80/89/343818089.db2.gz FFFIXTAJALOUFL-GHMZBOCLSA-N 1 1 212.337 0.831 40 0 BCABMO CC(C)C[N@H+]1CC[C@@H](Cn2cc(CO)nn2)C1 ZINC000409425087 343818243 /nfs/dbraw/zinc/81/82/43/343818243.db2.gz JOZQCGMRRVOMDU-LLVKDONJSA-N 1 1 238.335 0.748 40 0 BCABMO CC[N@H+]1CC[C@H](Cn2cc(CO)nn2)C1 ZINC000409426313 343822044 /nfs/dbraw/zinc/82/20/44/343822044.db2.gz PSTDXHHSROSPTF-VIFPVBQESA-N 1 1 210.281 0.112 40 0 BCABMO CC[N@H+]1CC[C@@H](Cn2cc(CO)nn2)C1 ZINC000409426312 343822126 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343840344 /nfs/dbraw/zinc/84/03/44/343840344.db2.gz WOXFNCZICQYRQP-QWRGUYRKSA-N 1 1 216.325 0.461 40 0 BCABMO CCc1[nH]nc(C)c1CCN1CC[NH2+]CC1 ZINC000409441373 343859025 /nfs/dbraw/zinc/85/90/25/343859025.db2.gz RLRFFAKRNPWBEQ-UHFFFAOYSA-N 1 1 222.336 0.728 40 0 BCABMO Cn1cnc2c1C[C@@H](CNc1ncccn1)[NH2+]C2 ZINC000585094632 344129644 /nfs/dbraw/zinc/12/96/44/344129644.db2.gz GIRORMUHXFPITP-VIFPVBQESA-N 1 1 244.302 0.337 40 0 BCABMO COC[C@H]1C[N@@H+](C)C2(CN(c3ncccn3)C2)C1 ZINC000585093984 344130393 /nfs/dbraw/zinc/13/03/93/344130393.db2.gz WDXXMDHURFAKCZ-LLVKDONJSA-N 1 1 248.330 0.634 40 0 BCABMO C[C@@H]1C[C@@](C(=O)[O-])([NH+](C)C)CC[N@@H+]1C ZINC000057354488 259374333 /nfs/dbraw/zinc/37/43/33/259374333.db2.gz UCUMLWQVHMBOFH-SCZZXKLOSA-N 1 1 200.282 0.486 40 0 BCABMO C[C@@H]1C[C@@](C(=O)[O-])([NH+](C)C)CC[N@H+]1C ZINC000057354488 259374335 /nfs/dbraw/zinc/37/43/35/259374335.db2.gz UCUMLWQVHMBOFH-SCZZXKLOSA-N 1 1 200.282 0.486 40 0 BCABMO CCCCCC[N@@H+]1[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1C 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CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217664163 173299806 /nfs/dbraw/zinc/29/98/06/173299806.db2.gz QKLQLSZZCQLFTP-VXGBXAGGSA-N 1 1 233.315 0.660 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1ccc(N)cc1 ZINC000217664257 173308511 /nfs/dbraw/zinc/30/85/11/173308511.db2.gz QKLQLSZZCQLFTP-NEPJUHHUSA-N 1 1 233.315 0.660 40 0 BCABMO COCC[N@H+]1CCC[C@](C)(c2nncn2C)C1 ZINC000257310389 174308732 /nfs/dbraw/zinc/30/87/32/174308732.db2.gz UEWQTBNLTDVTGH-LBPRGKRZSA-N 1 1 238.335 0.815 40 0 BCABMO COc1ccc(CC[NH+]2CC(O)C2)cc1 ZINC000070917028 175090364 /nfs/dbraw/zinc/09/03/64/175090364.db2.gz SPDHVGRVRSNGBL-UHFFFAOYSA-N 1 1 207.273 0.914 40 0 BCABMO COc1ccc(N)cc1NC(=O)C[NH+](C)C ZINC000008703620 175138398 /nfs/dbraw/zinc/13/83/98/175138398.db2.gz XACYJPAKLJMXHL-UHFFFAOYSA-N 1 1 223.276 0.778 40 0 BCABMO COc1cccc([C@H]([NH3+])c2nc(N)n[nH]2)c1 ZINC000095533626 175294774 /nfs/dbraw/zinc/29/47/74/175294774.db2.gz WQOOQVADEJENRP-QMMMGPOBSA-N 1 1 219.248 0.444 40 0 BCABMO 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CC[N@@H+](CCN)[C@H]1CCCC[C@H]1NC(C)=O ZINC000242390295 521044949 /nfs/dbraw/zinc/04/49/49/521044949.db2.gz AJAHCNYNTURMGC-NEPJUHHUSA-N 1 1 227.352 0.714 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CCC(O)CC2)C1 ZINC000096629214 349447165 /nfs/dbraw/zinc/44/71/65/349447165.db2.gz DPMURLDOIPPJFN-SNVBAGLBSA-N 1 1 226.320 0.312 40 0 BCABMO Cc1[nH]c[nH+]c1Cc1cc(C)n[nH]c1=O ZINC000199804090 178059305 /nfs/dbraw/zinc/05/93/05/178059305.db2.gz LAPMXRIWUMQALO-UHFFFAOYSA-N 1 1 204.233 0.701 40 0 BCABMO CCC(CC)[N@H+]1CCN(C)C[C@H](C(N)=O)C1 ZINC000257248783 168375615 /nfs/dbraw/zinc/37/56/15/168375615.db2.gz JFELCIQDRCWSCY-JTQLQIEISA-N 1 1 227.352 0.524 40 0 BCABMO Cc1cc(=O)[nH]c(N2CC[N@H+]3CCC[C@@H]3C2)n1 ZINC000072207548 259315193 /nfs/dbraw/zinc/31/51/93/259315193.db2.gz BZEKDESMGNFSQR-SNVBAGLBSA-N 1 1 234.303 0.775 40 0 BCABMO CCOC(=O)[C@H](N)[C@H](C(C)C)[NH+]1CCOCC1 ZINC000072210533 259316814 /nfs/dbraw/zinc/31/68/14/259316814.db2.gz PMYBFVWNHFTXAD-MNOVXSKESA-N 1 1 244.335 0.234 40 0 BCABMO CN1CC[C@@H]([NH3+])[C@@H](Cc2cccnc2)C1 ZINC000242543306 259326039 /nfs/dbraw/zinc/32/60/39/259326039.db2.gz JVZFEGVETJRMMF-NWDGAFQWSA-N 1 1 205.305 0.903 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccnc1 ZINC000217667789 398322703 /nfs/dbraw/zinc/32/27/03/398322703.db2.gz ZJAMBIPSBQWOSV-GHMZBOCLSA-N 1 1 220.272 0.900 40 0 BCABMO CC(C)N(c1nc(N)nc(N)[nH+]1)C(C)C ZINC000016575390 342912809 /nfs/dbraw/zinc/91/28/09/342912809.db2.gz IBJTWLOJZZUISK-UHFFFAOYSA-N 1 1 210.285 0.659 40 0 BCABMO [NH3+][C@H]1CS[C@@H](CCCCC(=O)[O-])[C@H]1[NH3+] ZINC000019367017 342947468 /nfs/dbraw/zinc/94/74/68/342947468.db2.gz JKNCSZDPWAVQAI-ZKWXMUAHSA-N 1 1 218.322 0.401 40 0 in-vitro BCABMO C[C@H]([NH3+])C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000035222939 343303463 /nfs/dbraw/zinc/30/34/63/343303463.db2.gz CYYISHHAQAKICG-WCQYABFASA-N 1 1 247.342 0.724 40 0 BCABMO CC(=O)N1CC[C@@H](C[N@H+](CCN)C(C)C)C1 ZINC000079422754 187262981 /nfs/dbraw/zinc/26/29/81/187262981.db2.gz VFINTLZZRBLPNM-LBPRGKRZSA-N 1 1 227.352 0.524 40 0 BCABMO CC(=O)N1CC[C@@H](CN(CC[NH3+])C(C)C)C1 ZINC000079422754 187262983 /nfs/dbraw/zinc/26/29/83/187262983.db2.gz VFINTLZZRBLPNM-LBPRGKRZSA-N 1 1 227.352 0.524 40 0 BCABMO CC(=O)N1CCC[C@@H](C[N@H+](CCN)C(C)C)C1 ZINC000079405676 187263471 /nfs/dbraw/zinc/26/34/71/187263471.db2.gz FLVYCEGYZWMXNK-ZDUSSCGKSA-N 1 1 241.379 0.914 40 0 BCABMO CC(=O)N1CCC[C@@H](CN(CC[NH3+])C(C)C)C1 ZINC000079405676 187263473 /nfs/dbraw/zinc/26/34/73/187263473.db2.gz FLVYCEGYZWMXNK-ZDUSSCGKSA-N 1 1 241.379 0.914 40 0 BCABMO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CCCN(C)C1 ZINC000040673621 187264717 /nfs/dbraw/zinc/26/47/17/187264717.db2.gz BEZIYXRYOQMVKT-ZJUUUORDSA-N 1 1 213.325 0.180 40 0 BCABMO CN(C)c1nc(N2CCCC2)[nH+]cc1N ZINC000409428056 343802474 /nfs/dbraw/zinc/80/24/74/343802474.db2.gz LLBIIQMCEQLVMI-UHFFFAOYSA-N 1 1 207.281 0.725 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCCCC1 ZINC000051886612 343789018 /nfs/dbraw/zinc/78/90/18/343789018.db2.gz OLNGZLNDIGNYCJ-LLVKDONJSA-N 1 1 226.320 0.313 40 0 BCABMO CCC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339418623 343791465 /nfs/dbraw/zinc/79/14/65/343791465.db2.gz FHYZHXHOYYSVRZ-NSHDSACASA-N 1 1 224.308 0.817 40 0 BCABMO CO[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1OC ZINC000234987877 343794787 /nfs/dbraw/zinc/79/47/87/343794787.db2.gz NRZHAVVKESUNCN-AOOOYVTPSA-N 1 1 223.276 0.514 40 0 BCABMO CO[C@@H]1CN(C2CC[NH2+]CC2)C[C@H]1OC ZINC000234796560 343794900 /nfs/dbraw/zinc/79/49/00/343794900.db2.gz YETTYCYSDPLKON-GHMZBOCLSA-N 1 1 214.309 0.084 40 0 BCABMO CC[N@H+]1CCC[C@@H](n2cc(C=O)nn2)C1 ZINC000409427170 343800245 /nfs/dbraw/zinc/80/02/45/343800245.db2.gz UYEKYQPOMWIEIS-SNVBAGLBSA-N 1 1 208.265 0.747 40 0 BCABMO CCC[N@H+]1CC[C@@H](n2cc(CO)nn2)C1 ZINC000409427710 343801723 /nfs/dbraw/zinc/80/17/23/343801723.db2.gz XKJCBYDGAMEUDG-SNVBAGLBSA-N 1 1 210.281 0.427 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CCOC(C)C)CC[C@H]1O ZINC000409422277 343813380 /nfs/dbraw/zinc/81/33/80/343813380.db2.gz DNKBNBCGOHSDBG-GHMZBOCLSA-N 1 1 245.319 0.267 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CCOC(C)C)CC[C@@H]1O ZINC000409422278 343813439 /nfs/dbraw/zinc/81/34/39/343813439.db2.gz DNKBNBCGOHSDBG-MNOVXSKESA-N 1 1 245.319 0.267 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CCOC(C)C)CC[C@H]1O ZINC000409422280 343813490 /nfs/dbraw/zinc/81/34/90/343813490.db2.gz DNKBNBCGOHSDBG-WDEREUQCSA-N 1 1 245.319 0.267 40 0 BCABMO Nc1ccc(N2C[C@H]3COC[C@@H]3C2)[nH+]c1 ZINC000409425519 343819718 /nfs/dbraw/zinc/81/97/18/343819718.db2.gz GGPSBAHYPGMCIV-IUCAKERBSA-N 1 1 205.261 0.746 40 0 BCABMO Nc1ccc(N2C[C@@H]3COC[C@@H]3C2)[nH+]c1 ZINC000409425509 343819751 /nfs/dbraw/zinc/81/97/51/343819751.db2.gz GGPSBAHYPGMCIV-DTORHVGOSA-N 1 1 205.261 0.746 40 0 BCABMO COC[C@H]1C[N@@H+](CCC[NH3+])CC1(C)C ZINC000409425630 343819872 /nfs/dbraw/zinc/81/98/72/343819872.db2.gz BACLRCQJCYPHEV-SNVBAGLBSA-N 1 1 200.326 0.940 40 0 BCABMO NCC(=O)N[C@@H]1CCC[C@H]1[NH+]1CCCC1 ZINC000409441189 343855383 /nfs/dbraw/zinc/85/53/83/343855383.db2.gz NSQGPBFSHAZUEP-NXEZZACHSA-N 1 1 211.309 0.078 40 0 BCABMO CO[C@@H]1CN(CCC[NH3+])C[C@H]1n1ccnc1 ZINC000409433472 343832466 /nfs/dbraw/zinc/83/24/66/343832466.db2.gz MVRDCEBVQZDTRX-GHMZBOCLSA-N 1 1 224.308 0.104 40 0 BCABMO O[C@@H]1CCN(C2CC[NH2+]CC2)C[C@@H]1CCF ZINC000409435025 343835572 /nfs/dbraw/zinc/83/55/72/343835572.db2.gz SBEGEVHQWRQTOD-CMPLNLGQSA-N 1 1 230.327 0.781 40 0 BCABMO CC(C)C[C@H]1C[N@@H+](CCO)CC[C@H]1O ZINC000409436159 343837604 /nfs/dbraw/zinc/83/76/04/343837604.db2.gz YJNOKTVWYMZEFA-WDEREUQCSA-N 1 1 201.310 0.708 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CCC(CO)CC2)C1 ZINC000409438511 343844208 /nfs/dbraw/zinc/84/42/08/343844208.db2.gz NDFVAOLSAFMYTC-GFCCVEGCSA-N 1 1 240.347 0.559 40 0 BCABMO CNC(=O)C[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000585111697 344136511 /nfs/dbraw/zinc/13/65/11/344136511.db2.gz FVYQMOAAHSHSRH-GFCCVEGCSA-N 1 1 248.330 0.928 40 0 BCABMO CNC(=O)C[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000585111697 344136513 /nfs/dbraw/zinc/13/65/13/344136513.db2.gz FVYQMOAAHSHSRH-GFCCVEGCSA-N 1 1 248.330 0.928 40 0 BCABMO C[C@@H]1CCCN(C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000216250274 259376738 /nfs/dbraw/zinc/37/67/38/259376738.db2.gz ZZJQCKLQXIFZES-PWSUYJOCSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@@H]1CCC[N@H+](C[C@@H](O)CNC2CC2)C1 ZINC000216250274 259376739 /nfs/dbraw/zinc/37/67/39/259376739.db2.gz ZZJQCKLQXIFZES-PWSUYJOCSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@@H]1CCC[N@@H+](C[C@@H](O)CNC2CC2)C1 ZINC000216250274 259376740 /nfs/dbraw/zinc/37/67/40/259376740.db2.gz ZZJQCKLQXIFZES-PWSUYJOCSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@H]1CN(c2ccc(N)c[nH+]2)CC[C@H]1O ZINC000253207639 345625613 /nfs/dbraw/zinc/62/56/13/345625613.db2.gz XZEWZDYOOIDWGW-WCBMZHEXSA-N 1 1 207.277 0.871 40 0 BCABMO CCN(CCO)c1cc(NC)nc(C)[nH+]1 ZINC000087819982 345940223 /nfs/dbraw/zinc/94/02/23/345940223.db2.gz LTWOQHVVELQKRQ-UHFFFAOYSA-N 1 1 210.281 0.645 40 0 BCABMO CNc1cc(N(C)CCOC)[nH+]c(C)n1 ZINC000087821606 345940395 /nfs/dbraw/zinc/94/03/95/345940395.db2.gz LHMWALDGIXTKPE-UHFFFAOYSA-N 1 1 210.281 0.909 40 0 BCABMO CNc1cc(N2CC[NH+](C)CC2)ncn1 ZINC000087805918 345940608 /nfs/dbraw/zinc/94/06/08/345940608.db2.gz MNUAEZKCEKMCLP-UHFFFAOYSA-N 1 1 207.281 0.270 40 0 BCABMO CC[C@@H](C)NC(=S)N1CC[NH+](C)CC1 ZINC000004216784 346246213 /nfs/dbraw/zinc/24/62/13/346246213.db2.gz QZQNRMZIERUORP-SECBINFHSA-N 1 1 215.366 0.907 40 0 BCABMO Cc1c2nc(N)nc-2ccc2[nH+]c(N)[nH]c21 ZINC000001866105 346477299 /nfs/dbraw/zinc/47/72/99/346477299.db2.gz SHHMMSFAIOQFON-UHFFFAOYSA-N 1 1 214.232 0.761 40 0 BCABMO Cc1nc2c(c(=O)[nH]1)C[C@@H]1CC[C@H](C2)[N@@H+]1C ZINC000205676466 348572317 /nfs/dbraw/zinc/57/23/17/348572317.db2.gz HOUBOBVELIVXJV-DTWKUNHWSA-N 1 1 219.288 0.640 40 0 BCABMO C[N@H+]1CC[C@@H](O)[C@@H](Cc2ccccn2)C1 ZINC000169975246 490260838 /nfs/dbraw/zinc/26/08/38/490260838.db2.gz OGGWQOJFGKKYML-CMPLNLGQSA-N 1 1 206.289 0.937 40 0 BCABMO COC(=O)CC[C@@H]([NH3+])C(=O)OC(C)(C)C ZINC000034215680 350464755 /nfs/dbraw/zinc/46/47/55/350464755.db2.gz QSAXGMMUKHMOBI-SSDOTTSWSA-N 1 1 217.265 0.609 40 0 BCABMO CO[C@H]1CN(CCC[NH3+])C[C@H]1n1cccn1 ZINC000409434221 350472931 /nfs/dbraw/zinc/47/29/31/350472931.db2.gz OPLZGDDRRLENTQ-MNOVXSKESA-N 1 1 224.308 0.104 40 0 BCABMO CC[N@H+]1CCC[C@H]1Cn1cc(C=O)nn1 ZINC000409424230 350475770 /nfs/dbraw/zinc/47/57/70/350475770.db2.gz GBDHXSRRYXOAJK-JTQLQIEISA-N 1 1 208.265 0.575 40 0 BCABMO CC(=O)N1CCC([N@H+](CCO)C(C)C)CC1 ZINC000079405417 188292228 /nfs/dbraw/zinc/29/22/28/188292228.db2.gz YJQAZLBRMHDRMB-UHFFFAOYSA-N 1 1 228.336 0.700 40 0 BCABMO NC(=O)CC[N@H+]1CCC[C@@H]1c1ccncn1 ZINC000257255044 181223151 /nfs/dbraw/zinc/22/31/51/181223151.db2.gz KFVHDYVUIKCREV-SNVBAGLBSA-N 1 1 220.276 0.489 40 0 BCABMO NC(=O)C[NH+]1CCC(c2ccccn2)CC1 ZINC000072187581 181231853 /nfs/dbraw/zinc/23/18/53/181231853.db2.gz IQMGGRNNSMHYDY-UHFFFAOYSA-N 1 1 219.288 0.746 40 0 BCABMO NC(=O)C[N@@H+]1CCOC[C@H](Cc2ccccc2)C1 ZINC000257205288 181233478 /nfs/dbraw/zinc/23/34/78/181233478.db2.gz AYKDULRTEOWWCK-CYBMUJFWSA-N 1 1 248.326 0.663 40 0 BCABMO NC(=O)C[N@H+]1CCOC[C@H](Cc2ccccc2)C1 ZINC000257205288 181233479 /nfs/dbraw/zinc/23/34/79/181233479.db2.gz AYKDULRTEOWWCK-CYBMUJFWSA-N 1 1 248.326 0.663 40 0 BCABMO O=C(C[NH+]1CCC(O)CC1)NC1CCCCC1 ZINC000047865963 358604692 /nfs/dbraw/zinc/60/46/92/358604692.db2.gz CQLYZUQIKJXVAE-UHFFFAOYSA-N 1 1 240.347 0.892 40 0 BCABMO CC[C@@H](C)[C@H]([NH3+])CN1CCN(CC)CC1 ZINC000019852487 371194293 /nfs/dbraw/zinc/19/42/93/371194293.db2.gz ACCFMNPKQCCVEF-VXGBXAGGSA-N 1 1 213.369 0.997 40 0 BCABMO CC[C@@H](C)[C@@H]([NH3+])CN1CCN(CC)CC1 ZINC000020073835 371226883 /nfs/dbraw/zinc/22/68/83/371226883.db2.gz ACCFMNPKQCCVEF-NEPJUHHUSA-N 1 1 213.369 0.997 40 0 BCABMO O=C(Nc1ccccc1)N1CC[NH+](CCO)CC1 ZINC000019597515 182376169 /nfs/dbraw/zinc/37/61/69/182376169.db2.gz WXCOECXNUHFBGR-UHFFFAOYSA-N 1 1 249.314 0.828 40 0 BCABMO O[C@H]1C[N@H+](Cc2cnccn2)CC[C@@]12CCCO2 ZINC000257238922 183244609 /nfs/dbraw/zinc/24/46/09/183244609.db2.gz HNDLTNLDRSGLNR-STQMWFEESA-N 1 1 249.314 0.592 40 0 BCABMO O[C@H]1C[N@@H+](Cc2cnccn2)CC[C@@]12CCCO2 ZINC000257238922 183244610 /nfs/dbraw/zinc/24/46/10/183244610.db2.gz HNDLTNLDRSGLNR-STQMWFEESA-N 1 1 249.314 0.592 40 0 BCABMO c1cc(CO[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)ccn1 ZINC000096511352 183354655 /nfs/dbraw/zinc/35/46/55/183354655.db2.gz DGCUTGNDLDPWSR-CHWSQXEVSA-N 1 1 233.315 0.644 40 0 BCABMO c1cc(CO[C@@H]2C[C@@H]3CNCC[N@H+]3C2)ccn1 ZINC000096511352 183354657 /nfs/dbraw/zinc/35/46/57/183354657.db2.gz DGCUTGNDLDPWSR-CHWSQXEVSA-N 1 1 233.315 0.644 40 0 BCABMO CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@H]1CCCN(C)C1 ZINC000079407600 384135942 /nfs/dbraw/zinc/13/59/42/384135942.db2.gz NKCXJYQXZIKVJK-RYUDHWBXSA-N 1 1 241.379 0.912 40 0 BCABMO CC(=O)N1CCC[C@@H](C[N@H+](CCN)C2CC2)C1 ZINC000079405770 384136930 /nfs/dbraw/zinc/13/69/30/384136930.db2.gz AQZNBXYWKQXSHE-GFCCVEGCSA-N 1 1 239.363 0.668 40 0 BCABMO CC(=O)N1CCC[C@@H](C[N@@H+](CCN)C2CC2)C1 ZINC000079405770 384136940 /nfs/dbraw/zinc/13/69/40/384136940.db2.gz AQZNBXYWKQXSHE-GFCCVEGCSA-N 1 1 239.363 0.668 40 0 BCABMO CC(C)(C)OC(=O)N[C@H]1CCC[N@@H+](CCO)C1 ZINC000079407825 384136971 /nfs/dbraw/zinc/13/69/71/384136971.db2.gz HWLDJJCJVNRUQC-JTQLQIEISA-N 1 1 244.335 0.968 40 0 BCABMO CC(C)(C)OC(=O)N[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079407819 384137351 /nfs/dbraw/zinc/13/73/51/384137351.db2.gz HWLDJJCJVNRUQC-SNVBAGLBSA-N 1 1 244.335 0.968 40 0 BCABMO CC[N@H+](CCO)C[C@@H]1CCCN(C)C1 ZINC000079405969 384137725 /nfs/dbraw/zinc/13/77/25/384137725.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 1 1 200.326 0.642 40 0 BCABMO CC[N@@H+](CCO)C[C@@H]1CCCN(C)C1 ZINC000079405969 384137731 /nfs/dbraw/zinc/13/77/31/384137731.db2.gz SMIDHRVTQIJRDY-LLVKDONJSA-N 1 1 200.326 0.642 40 0 BCABMO CC(=O)N1CCC(C[N@H+](CCN)C(C)C)CC1 ZINC000079405683 384137826 /nfs/dbraw/zinc/13/78/26/384137826.db2.gz XGLKFSCSVOGHTF-UHFFFAOYSA-N 1 1 241.379 0.914 40 0 BCABMO CC(=O)N1CCC(CN(CC[NH3+])C(C)C)CC1 ZINC000079405683 384137832 /nfs/dbraw/zinc/13/78/32/384137832.db2.gz XGLKFSCSVOGHTF-UHFFFAOYSA-N 1 1 241.379 0.914 40 0 BCABMO CC(=O)N1CC[C@@H](C[N@H+](CCO)C(C)C)C1 ZINC000079405401 384132646 /nfs/dbraw/zinc/13/26/46/384132646.db2.gz QGJFHFASJBDMTN-LBPRGKRZSA-N 1 1 228.336 0.558 40 0 BCABMO C[N@@H+](CC1CC[NH+](CC(=O)[O-])CC1)C1CC1 ZINC000079419804 384144313 /nfs/dbraw/zinc/14/43/13/384144313.db2.gz BAGVGAZPFPMBCQ-UHFFFAOYSA-N 1 1 226.320 0.877 40 0 BCABMO Cc1ccc(C2(O)CC[NH+](CC(N)=O)CC2)cc1 ZINC000072344656 384207484 /nfs/dbraw/zinc/20/74/84/384207484.db2.gz OHNZYQCGSFKBMD-UHFFFAOYSA-N 1 1 248.326 0.764 40 0 BCABMO Nc1[nH]nc2nc([C@H]3CC[NH2+]C3)ccc12 ZINC000072344114 384208819 /nfs/dbraw/zinc/20/88/19/384208819.db2.gz GAJQIJQYSMBTHI-LURJTMIESA-N 1 1 203.249 0.617 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](C)CCN)CC1 ZINC000100178640 384279259 /nfs/dbraw/zinc/27/92/59/384279259.db2.gz SSHZICKRURMPRL-PHIMTYICSA-N 1 1 213.325 0.324 40 0 BCABMO CC(=O)N[C@H]1CC[C@H](N(C)CC[NH3+])CC1 ZINC000100178640 384279262 /nfs/dbraw/zinc/27/92/62/384279262.db2.gz SSHZICKRURMPRL-PHIMTYICSA-N 1 1 213.325 0.324 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](C)CCO)CC1 ZINC000100178646 384279809 /nfs/dbraw/zinc/27/98/09/384279809.db2.gz KRXCTBFKBHRNGO-PHIMTYICSA-N 1 1 214.309 0.358 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCN)C2CC2)CC1 ZINC000100178629 384280171 /nfs/dbraw/zinc/28/01/71/384280171.db2.gz BVKVZOAJTAUANY-TXEJJXNPSA-N 1 1 239.363 0.857 40 0 BCABMO CC(=O)N[C@H]1CC[C@H](N(CC[NH3+])C2CC2)CC1 ZINC000100178629 384280172 /nfs/dbraw/zinc/28/01/72/384280172.db2.gz BVKVZOAJTAUANY-TXEJJXNPSA-N 1 1 239.363 0.857 40 0 BCABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000078763700 384366786 /nfs/dbraw/zinc/36/67/86/384366786.db2.gz XGURGGAKQXRKCD-WDEREUQCSA-N 1 1 226.320 0.454 40 0 BCABMO Cc1noc([C@]23COC[C@H]2C[N@H+](C(C)C)C3)n1 ZINC000096110049 384434126 /nfs/dbraw/zinc/43/41/26/384434126.db2.gz KHXIWDLZKKJLHA-ZYHUDNBSSA-N 1 1 237.303 0.986 40 0 BCABMO COC(=O)[C@@H]([NH3+])C1Cc2ccccc2C1 ZINC000238361734 384590303 /nfs/dbraw/zinc/59/03/03/384590303.db2.gz YZFJYRDDABEYAI-NSHDSACASA-N 1 1 205.257 0.902 40 0 BCABMO CN(C)[C@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210323 385068465 /nfs/dbraw/zinc/06/84/65/385068465.db2.gz DRTRPLQLKVCVGO-VXGBXAGGSA-N 1 1 208.305 0.857 40 0 BCABMO CC(C)[C@@H]([NH3+])c1nnc(Cn2cccn2)[nH]1 ZINC000095534747 385045657 /nfs/dbraw/zinc/04/56/57/385045657.db2.gz NFMCFSVOICYWRD-SECBINFHSA-N 1 1 220.280 0.705 40 0 BCABMO COC[C@@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000095627112 385085322 /nfs/dbraw/zinc/08/53/22/385085322.db2.gz QBJWNCXOPXVECA-VIFPVBQESA-N 1 1 230.308 0.842 40 0 BCABMO CCCCNC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000042975609 385306315 /nfs/dbraw/zinc/30/63/15/385306315.db2.gz RDEKDDSIHXPVIX-SNVBAGLBSA-N 1 1 214.309 0.359 40 0 BCABMO CCCCNC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000042975609 385306318 /nfs/dbraw/zinc/30/63/18/385306318.db2.gz RDEKDDSIHXPVIX-SNVBAGLBSA-N 1 1 214.309 0.359 40 0 BCABMO CC(C)CCN1CCN(C(=O)C[NH3+])CC1 ZINC000037823592 385311915 /nfs/dbraw/zinc/31/19/15/385311915.db2.gz BIXVCNRMNOFUKB-UHFFFAOYSA-N 1 1 213.325 0.135 40 0 BCABMO CS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1ccc(F)cc1 ZINC000096525075 385277065 /nfs/dbraw/zinc/27/70/65/385277065.db2.gz RSZALAAEUOFLCH-NXEZZACHSA-N 1 1 247.291 0.231 40 0 BCABMO CS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1cccc(F)c1 ZINC000096525095 385277259 /nfs/dbraw/zinc/27/72/59/385277259.db2.gz MXRGMZBGNJMDJR-UWVGGRQHSA-N 1 1 247.291 0.231 40 0 BCABMO CS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1ccc(F)cc1 ZINC000096525073 385278713 /nfs/dbraw/zinc/27/87/13/385278713.db2.gz RSZALAAEUOFLCH-VHSXEESVSA-N 1 1 247.291 0.231 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000409424575 385331516 /nfs/dbraw/zinc/33/15/16/385331516.db2.gz WHLCPLZECUVVDG-SNVBAGLBSA-N 1 1 214.309 0.312 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000409424574 385332435 /nfs/dbraw/zinc/33/24/35/385332435.db2.gz WHLCPLZECUVVDG-JTQLQIEISA-N 1 1 214.309 0.312 40 0 BCABMO OCc1cn(C[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC000409424608 385333505 /nfs/dbraw/zinc/33/35/05/385333505.db2.gz HGETYRBYNLONTJ-SECBINFHSA-N 1 1 228.271 0.062 40 0 BCABMO COC(=O)[C@H]([NH3+])[C@@H](C)Sc1nccn1C ZINC000169726759 385418138 /nfs/dbraw/zinc/41/81/38/385418138.db2.gz VXAUTJVHKJCFFV-RNFRBKRXSA-N 1 1 229.305 0.401 40 0 BCABMO O=S(=O)(C1CCCCC1)N1CC[NH2+]CC1 ZINC000038137005 386125205 /nfs/dbraw/zinc/12/52/05/386125205.db2.gz AYMKHHUHNCVVNU-UHFFFAOYSA-N 1 1 232.349 0.554 40 0 BCABMO CCOC(=O)[C@@H]([NH3+])CCC(=O)c1ccn(C)n1 ZINC000575410822 387014663 /nfs/dbraw/zinc/01/46/63/387014663.db2.gz CNSPBXQNUGOKNE-QMMMGPOBSA-N 1 1 239.275 0.273 40 0 BCABMO O=C1NC[C@H]2C[N@@H+](Cc3ccccc3)CCN12 ZINC000085436130 387453774 /nfs/dbraw/zinc/45/37/74/387453774.db2.gz NYJZFXFQGCAISB-LBPRGKRZSA-N 1 1 231.299 0.896 40 0 biogenic,in-vitro BCABMO C[NH+](C)CCNCc1cnn(CC(F)F)c1 ZINC000256052581 387860978 /nfs/dbraw/zinc/86/09/78/387860978.db2.gz NXKAODPTXPNTFA-UHFFFAOYSA-N 1 1 232.278 0.799 40 0 BCABMO C[N@H+]1CC[C@H](O)[C@H](Cc2cccnc2)C1 ZINC000243497349 388404212 /nfs/dbraw/zinc/40/42/12/388404212.db2.gz NTKKSPNSFJHPJY-NEPJUHHUSA-N 1 1 206.289 0.937 40 0 BCABMO C[C@H]1CCCCN1C[C@@H](O)C[NH2+]C1CC1 ZINC000108020831 388610985 /nfs/dbraw/zinc/61/09/85/388610985.db2.gz BLPDWCVUTIIFNM-JQWIXIFHSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@H]1CCCC[N@@H+]1C[C@@H](O)CNC1CC1 ZINC000108020831 388610986 /nfs/dbraw/zinc/61/09/86/388610986.db2.gz BLPDWCVUTIIFNM-JQWIXIFHSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@H]1CCCC[N@H+]1C[C@@H](O)CNC1CC1 ZINC000108020831 388610987 /nfs/dbraw/zinc/61/09/87/388610987.db2.gz BLPDWCVUTIIFNM-JQWIXIFHSA-N 1 1 212.337 0.974 40 0 BCABMO C[NH2+][C@@H](C)CNC(=O)c1cnccc1N ZINC000261543216 388583308 /nfs/dbraw/zinc/58/33/08/388583308.db2.gz HQHJPFJZHWVQHQ-ZETCQYMHSA-N 1 1 208.265 0.002 40 0 BCABMO CC(=O)NC[C@@H]1[NH2+]CCc2c1ncn2C(C)C ZINC000306142932 388629712 /nfs/dbraw/zinc/62/97/12/388629712.db2.gz XONCFBAZVJFUMW-JTQLQIEISA-N 1 1 236.319 0.787 40 0 BCABMO COC(=O)[C@H]1CC[N@H+](C2CC[NH2+]CC2)C1 ZINC000113917387 388653686 /nfs/dbraw/zinc/65/36/86/388653686.db2.gz IQBYFGCUYUSBFV-VIFPVBQESA-N 1 1 212.293 0.233 40 0 BCABMO COC(=O)[C@H]1CCN(C2CC[NH2+]CC2)C1 ZINC000113917387 388653688 /nfs/dbraw/zinc/65/36/88/388653688.db2.gz IQBYFGCUYUSBFV-VIFPVBQESA-N 1 1 212.293 0.233 40 0 BCABMO CN1CC[C@H]([NH3+])[C@@H](Cc2ccncc2)C1 ZINC000242463781 388743205 /nfs/dbraw/zinc/74/32/05/388743205.db2.gz DLDOHIRLUOCARN-RYUDHWBXSA-N 1 1 205.305 0.903 40 0 BCABMO Cc1c(C[C@@H]([NH3+])C(=O)OC(C)(C)C)cnn1C ZINC000253186524 388808488 /nfs/dbraw/zinc/80/84/88/388808488.db2.gz RZXXXVMRNRKICQ-SNVBAGLBSA-N 1 1 239.319 0.940 40 0 BCABMO COc1ccc([C@@H]([NH3+])c2nc(N)n[nH]2)cc1 ZINC000095533769 388777476 /nfs/dbraw/zinc/77/74/76/388777476.db2.gz BFBDPANTODKJSR-MRVPVSSYSA-N 1 1 219.248 0.444 40 0 BCABMO C[NH+]1CCN(c2cccc3[nH]c(=O)oc32)CC1 ZINC000000008736 132312405 /nfs/dbraw/zinc/31/24/05/132312405.db2.gz YVPUUUDAZYFFQT-UHFFFAOYSA-N 1 1 233.271 0.873 40 0 world BCABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000225969718 134358138 /nfs/dbraw/zinc/35/81/38/134358138.db2.gz VVUJJALLIWPADH-NWDGAFQWSA-N 1 1 240.347 0.702 40 0 BCABMO [NH3+]CCC(=O)N1CCN(C2CCC2)CC1 ZINC000262240142 135287147 /nfs/dbraw/zinc/28/71/47/135287147.db2.gz PAIQJIYBISFKAV-UHFFFAOYSA-N 1 1 211.309 0.032 40 0 BCABMO CCn1nc(N)cc1Cn1cc[nH+]c1C ZINC000408715582 411257579 /nfs/dbraw/zinc/25/75/79/411257579.db2.gz BVRQDIKQOLOBPT-UHFFFAOYSA-N 1 1 205.265 1.038 40 0 BCABMO CC[N@H+]1C[C@H]2C[C@@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000249689724 170040334 /nfs/dbraw/zinc/04/03/34/170040334.db2.gz JQSJBXSNDGHNHA-IJLUTSLNSA-N 1 1 238.331 0.622 40 0 BCABMO CCOC(=O)C1=C(N)S[C@@H]2C[N@@H+](C)CC[C@@H]12 ZINC000035083503 170191508 /nfs/dbraw/zinc/19/15/08/170191508.db2.gz CLLWUMJBSCNBOM-HTQZYQBOSA-N 1 1 242.344 0.787 40 0 BCABMO CNc1cc(NCC(OC)OC)[nH+]c(C)n1 ZINC000409430591 412305094 /nfs/dbraw/zinc/30/50/94/412305094.db2.gz MQSRQJXLFWNNQY-UHFFFAOYSA-N 1 1 226.280 0.858 40 0 BCABMO CCn1nccc1C[NH2+]Cc1ccnn1C ZINC000020349931 172270051 /nfs/dbraw/zinc/27/00/51/172270051.db2.gz XJDMOMHKQFWBNC-UHFFFAOYSA-N 1 1 219.292 0.926 40 0 BCABMO CN(C(=O)C[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000061707774 172309126 /nfs/dbraw/zinc/30/91/26/172309126.db2.gz ZREUUHFEVJFINO-GFCCVEGCSA-N 1 1 234.299 0.716 40 0 BCABMO CN(C(=O)C[N@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000061707774 172309128 /nfs/dbraw/zinc/30/91/28/172309128.db2.gz ZREUUHFEVJFINO-GFCCVEGCSA-N 1 1 234.299 0.716 40 0 BCABMO CN(C)C(=O)C1CCN(C2CC[NH2+]CC2)CC1 ZINC000096260815 172354502 /nfs/dbraw/zinc/35/45/02/172354502.db2.gz HQTIECSMXUOTAX-UHFFFAOYSA-N 1 1 239.363 0.539 40 0 BCABMO CN1CC[N@H+](C2CCCCC2)C[C@@H](C(N)=O)C1 ZINC000257275086 173075375 /nfs/dbraw/zinc/07/53/75/173075375.db2.gz NNVUHMLZOAWCHH-NSHDSACASA-N 1 1 239.363 0.668 40 0 BCABMO C[NH+]1CCN([C@@H](CO)Cc2ccccc2)CC1 ZINC000022042804 173092914 /nfs/dbraw/zinc/09/29/14/173092914.db2.gz KAFRFBDJOILROW-CQSZACIVSA-N 1 1 234.343 0.837 40 0 BCABMO C[N@H+]1CCOC[C@@H](Cc2cnccn2)C1 ZINC000257281528 173098159 /nfs/dbraw/zinc/09/81/59/173098159.db2.gz OPQCVLNQXKWTPI-JTQLQIEISA-N 1 1 207.277 0.597 40 0 BCABMO C[N@H+]1C[C@@H]2C[C@]2(NC(=O)c2ccoc2)C1 ZINC000096248947 173189874 /nfs/dbraw/zinc/18/98/74/173189874.db2.gz NHEFSBVZHFBKLC-ONGXEEELSA-N 1 1 206.245 0.714 40 0 BCABMO CN1C[C@H]2C[N@H+](C3CCC3)CCN2C1=O ZINC000077266747 173196635 /nfs/dbraw/zinc/19/66/35/173196635.db2.gz TWQNYUHSHOURDC-JTQLQIEISA-N 1 1 209.293 0.591 40 0 biogenic,in-vitro BCABMO CNC(=O)[C@@]1(C)C[N@H+](C2CCOCC2)CCO1 ZINC000072379747 173300752 /nfs/dbraw/zinc/30/07/52/173300752.db2.gz RUPTZFHFYSMQDX-GFCCVEGCSA-N 1 1 242.319 0.002 40 0 BCABMO CNC(=O)[C@H]1C[C@H]2OCC[C@H]2[N@@H+](CC2CC2)C1 ZINC000096057652 173308309 /nfs/dbraw/zinc/30/83/09/173308309.db2.gz MMMVEYXHOJKYFV-QJPTWQEYSA-N 1 1 238.331 0.622 40 0 BCABMO COCCN1CCOC2(CC[NH2+]CC2)C1 ZINC000096531560 174311283 /nfs/dbraw/zinc/31/12/83/174311283.db2.gz DFLOYUOFMMRRJN-UHFFFAOYSA-N 1 1 214.309 0.087 40 0 BCABMO COCC[N@@H+]1C[C@H]2CN(c3ncccn3)C[C@H]2C1 ZINC000096182421 174317884 /nfs/dbraw/zinc/31/78/84/174317884.db2.gz KEESDZDNZRQCCZ-TXEJJXNPSA-N 1 1 248.330 0.491 40 0 BCABMO COc1ccc(-c2nc(C[NH3+])no2)c(OC)n1 ZINC000096511471 175039232 /nfs/dbraw/zinc/03/92/32/175039232.db2.gz HRBXXAOAXOIGHD-UHFFFAOYSA-N 1 1 236.231 0.608 40 0 BCABMO COc1cccc(-c2cn(N)c(N)[nH+]2)c1 ZINC000026475647 175235349 /nfs/dbraw/zinc/23/53/49/175235349.db2.gz KRPVKSILQPOURI-UHFFFAOYSA-N 1 1 204.233 0.855 40 0 BCABMO Cc1cc([C@H]2CCNC(=O)C2)c[nH+]c1N ZINC000199782329 178268140 /nfs/dbraw/zinc/26/81/40/178268140.db2.gz TUJZNKOLLZRELB-QMMMGPOBSA-N 1 1 205.261 0.966 40 0 BCABMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](O)C[C@H]2C1 ZINC000066309372 398263909 /nfs/dbraw/zinc/26/39/09/398263909.db2.gz SZLUJRHLIZAWGS-VHSXEESVSA-N 1 1 242.319 0.672 40 0 BCABMO CCN1CCN(c2cc(C)c(C[NH3+])cn2)CC1 ZINC000072223623 259321501 /nfs/dbraw/zinc/32/15/01/259321501.db2.gz AKACIWWOOBTAOU-UHFFFAOYSA-N 1 1 234.347 0.991 40 0 BCABMO CN1C(=O)[C@H]([NH3+])[C@H]1c1ccc2c(c1)OCO2 ZINC000072228272 259322747 /nfs/dbraw/zinc/32/27/47/259322747.db2.gz KURBLQACPIAHPA-NXEZZACHSA-N 1 1 220.228 0.256 40 0 BCABMO Cc1oc2ncn3nc([C@@H]([NH3+])CO)nc3c2c1C ZINC000019559545 342951766 /nfs/dbraw/zinc/95/17/66/342951766.db2.gz CJQWMQUMQRVZMT-ZETCQYMHSA-N 1 1 247.258 0.479 40 0 BCABMO C[C@H](C[NH+]1CCOCC1)N1CCOCC1 ZINC000020247350 342978377 /nfs/dbraw/zinc/97/83/77/342978377.db2.gz GUHIFIMCTZAVDF-LLVKDONJSA-N 1 1 214.309 0.039 40 0 BCABMO C[C@H](CN1CCOCC1)[NH+]1CCOCC1 ZINC000020247350 342978379 /nfs/dbraw/zinc/97/83/79/342978379.db2.gz GUHIFIMCTZAVDF-LLVKDONJSA-N 1 1 214.309 0.039 40 0 BCABMO COC(=O)C[C@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000035750805 349718873 /nfs/dbraw/zinc/71/88/73/349718873.db2.gz WDJVUCIWQARJGJ-VIFPVBQESA-N 1 1 228.292 0.102 40 0 BCABMO C[C@@H](O)CN1C[C@@H](C)[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000022581314 343051862 /nfs/dbraw/zinc/05/18/62/343051862.db2.gz DTQIXUAQWTUJSV-DDHJBXDOSA-N 1 1 230.352 0.143 40 0 BCABMO COC(=O)[C@@H]1C[N@H+](C(C)C)CC[C@@H]1O ZINC000259510436 343134677 /nfs/dbraw/zinc/13/46/77/343134677.db2.gz BYDDANVFDJIXNR-BDAKNGLRSA-N 1 1 201.266 0.251 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1O ZINC000260858473 343246070 /nfs/dbraw/zinc/24/60/70/343246070.db2.gz WYULCMDCPPGORM-MXWKQRLJSA-N 1 1 243.303 0.021 40 0 BCABMO COC(=O)C[C@@H](C)[NH2+]CCCN(C)C ZINC000035748433 343303405 /nfs/dbraw/zinc/30/34/05/343303405.db2.gz VVGXXOWZXNYRRA-SECBINFHSA-N 1 1 202.298 0.479 40 0 BCABMO CC(=O)N(C[C@H]1CC[N@@H+](CCO)C1)C(C)C ZINC000079416505 187263593 /nfs/dbraw/zinc/26/35/93/187263593.db2.gz CQMUSBWYYIBFFA-LBPRGKRZSA-N 1 1 228.336 0.558 40 0 BCABMO CC(C)[N@H+](CCO)CC(=O)c1ccc[nH]1 ZINC000048014913 187269305 /nfs/dbraw/zinc/26/93/05/187269305.db2.gz CMNXHNKNQSFBAN-UHFFFAOYSA-N 1 1 210.277 0.900 40 0 BCABMO CC(C)[N@@H+](CCO)CC(=O)c1ccc[nH]1 ZINC000048014913 187269307 /nfs/dbraw/zinc/26/93/07/187269307.db2.gz CMNXHNKNQSFBAN-UHFFFAOYSA-N 1 1 210.277 0.900 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1cccc(OC)c1 ZINC000096526009 343760065 /nfs/dbraw/zinc/76/00/65/343760065.db2.gz OLWCOHJZPIYRCQ-GHMZBOCLSA-N 1 1 220.272 0.926 40 0 BCABMO COCC[NH+]1CCN(c2ncccc2N)CC1 ZINC000035367998 343778712 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/nfs/dbraw/zinc/80/31/36/343803136.db2.gz ZVRPEXDIONMBML-LLVKDONJSA-N 1 1 222.292 0.993 40 0 BCABMO CCC[N@H+]1CCC[C@H]1Cn1cc(CO)nn1 ZINC000409426844 343799027 /nfs/dbraw/zinc/79/90/27/343799027.db2.gz SKOIGWWVQOARQB-NSHDSACASA-N 1 1 224.308 0.645 40 0 BCABMO CC[N@H+]1CC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409426878 343799617 /nfs/dbraw/zinc/79/96/17/343799617.db2.gz STVPHHRICXOKRC-VIFPVBQESA-N 1 1 208.265 0.432 40 0 BCABMO [NH3+]Cc1nc(-c2cccn2CCF)no1 ZINC000409421963 343811984 /nfs/dbraw/zinc/81/19/84/343811984.db2.gz AMQKIRRIAWKDCV-UHFFFAOYSA-N 1 1 210.212 0.966 40 0 BCABMO COC(=O)[C@H]1C[N@H+](C(C)(C)C)CC[C@H]1O ZINC000409423098 343814882 /nfs/dbraw/zinc/81/48/82/343814882.db2.gz ORRPEJZGYDZXNJ-DTWKUNHWSA-N 1 1 215.293 0.641 40 0 BCABMO C[N@H+]1CCC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409425059 343818184 /nfs/dbraw/zinc/81/81/84/343818184.db2.gz JGJRNONMFGWKTE-VIFPVBQESA-N 1 1 208.265 0.432 40 0 BCABMO C[N@H+]1CCC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409425058 343818197 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/nfs/dbraw/zinc/40/44/99/346404499.db2.gz YETTYCYSDPLKON-QWRGUYRKSA-N 1 1 214.309 0.084 40 0 BCABMO CC[NH+](CC)CCN[C@@H](C)C(=O)N1CCCC1 ZINC000019526407 347338637 /nfs/dbraw/zinc/33/86/37/347338637.db2.gz RVQWZZJOWZKKDS-LBPRGKRZSA-N 1 1 241.379 0.929 40 0 BCABMO COC(=O)[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000022123375 350084332 /nfs/dbraw/zinc/08/43/32/350084332.db2.gz FUJQUJRDSNKGJG-SNVBAGLBSA-N 1 1 214.309 0.431 40 0 BCABMO CC[C@@H](C(=O)OC)N1CC[NH+](C)CC1 ZINC000022123243 350084528 /nfs/dbraw/zinc/08/45/28/350084528.db2.gz OTALGWKEWZWDNL-VIFPVBQESA-N 1 1 200.282 0.185 40 0 BCABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](O)C1 ZINC000299613123 180338067 /nfs/dbraw/zinc/33/80/67/180338067.db2.gz VGRLLPXILNRIMD-LLVKDONJSA-N 1 1 223.320 0.994 40 0 BCABMO CCO[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1OC ZINC000409436465 350478721 /nfs/dbraw/zinc/47/87/21/350478721.db2.gz ZYRBACGLEVWBBA-WDEREUQCSA-N 1 1 237.303 0.904 40 0 BCABMO CC(C)(C)NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051887044 191113342 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/nfs/dbraw/zinc/55/46/29/358554629.db2.gz RUIVLAVDIMPIAF-WPRPVWTQSA-N 1 1 207.277 0.871 40 0 BCABMO CNc1cncc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000205701804 368360106 /nfs/dbraw/zinc/36/01/06/368360106.db2.gz HXGGSOXTQYDLKP-JTQLQIEISA-N 1 1 236.319 0.690 40 0 BCABMO O=C(NCCC[NH+]1CCOCC1)C(F)F ZINC000023379225 182166669 /nfs/dbraw/zinc/16/66/69/182166669.db2.gz JYLUQABMSOAZFL-UHFFFAOYSA-N 1 1 222.235 0.090 40 0 BCABMO O=C(NCc1ccccc1)[C@@H]1COCC[NH2+]1 ZINC000083871993 182256202 /nfs/dbraw/zinc/25/62/02/182256202.db2.gz OFNJDQKFZCYBOB-NSHDSACASA-N 1 1 220.272 0.291 40 0 BCABMO OCC1(CO)C[NH+](Cc2ccccc2)C1 ZINC000059236393 183037305 /nfs/dbraw/zinc/03/73/05/183037305.db2.gz AOFFCJVJVZRCBL-UHFFFAOYSA-N 1 1 207.273 0.473 40 0 BCABMO c1c(-c2nc(C3CC3)no2)nc2n1CC[NH2+]C2 ZINC000328579681 183319904 /nfs/dbraw/zinc/31/99/04/183319904.db2.gz WDDJGTYPVLIZIL-UHFFFAOYSA-N 1 1 231.259 0.914 40 0 BCABMO c1c(CN2CC[NH2+]CC2)n[nH]c1C1CC1 ZINC000052860989 183322067 /nfs/dbraw/zinc/32/20/67/183322067.db2.gz SRZDAVUPBIKAQD-UHFFFAOYSA-N 1 1 206.293 0.692 40 0 BCABMO CCC[N@H+]1CCN(CCCO)C[C@@H]1C ZINC000019365627 169203343 /nfs/dbraw/zinc/20/33/43/169203343.db2.gz CSJVAAZQDMGVOA-NSHDSACASA-N 1 1 200.326 0.785 40 0 BCABMO CCCN1CC[N@H+](CCCO)C[C@@H]1C ZINC000019365627 169203345 /nfs/dbraw/zinc/20/33/45/169203345.db2.gz CSJVAAZQDMGVOA-NSHDSACASA-N 1 1 200.326 0.785 40 0 BCABMO CCCN1CC[N@@H+](CCCO)C[C@@H]1C ZINC000019365627 169203346 /nfs/dbraw/zinc/20/33/46/169203346.db2.gz CSJVAAZQDMGVOA-NSHDSACASA-N 1 1 200.326 0.785 40 0 BCABMO CC(=O)N1CCC[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000079405486 384134486 /nfs/dbraw/zinc/13/44/86/384134486.db2.gz GCWMBZJLJNZELH-LBPRGKRZSA-N 1 1 226.320 0.454 40 0 BCABMO CCN(C(=O)[C@@H]([NH3+])C(C)C)[C@@H]1CCCN(C)C1 ZINC000079407592 384135550 /nfs/dbraw/zinc/13/55/50/384135550.db2.gz NKCXJYQXZIKVJK-NEPJUHHUSA-N 1 1 241.379 0.912 40 0 BCABMO CC(C)(C)OC(=O)NC[C@H]1CCC[N@H+]1CCO ZINC000079407805 384137073 /nfs/dbraw/zinc/13/70/73/384137073.db2.gz ROKNTGDEDWTVBD-SNVBAGLBSA-N 1 1 244.335 0.968 40 0 BCABMO CC[N@@H+](CCO)C[C@@H]1CCCN(C(C)=O)C1 ZINC000079405361 384132431 /nfs/dbraw/zinc/13/24/31/384132431.db2.gz NVNIYXZNJHWZNS-LBPRGKRZSA-N 1 1 228.336 0.559 40 0 BCABMO C[N@H+](CCO)Cc1ccc(Cl)nn1 ZINC000079422376 384146843 /nfs/dbraw/zinc/14/68/43/384146843.db2.gz IZTCZTFDOYTMLW-UHFFFAOYSA-N 1 1 201.657 0.554 40 0 BCABMO C[N@@H+](CCO)Cc1ccc(Cl)nn1 ZINC000079422376 384146844 /nfs/dbraw/zinc/14/68/44/384146844.db2.gz IZTCZTFDOYTMLW-UHFFFAOYSA-N 1 1 201.657 0.554 40 0 BCABMO C[NH+](C)C1([C@@H](CN)CO)CCCCC1 ZINC000072210376 384153610 /nfs/dbraw/zinc/15/36/10/384153610.db2.gz KVHTXDYFBOXQRQ-JTQLQIEISA-N 1 1 200.326 0.818 40 0 BCABMO CC(=O)N(C1CC1)[C@H]1CC[N@@H+](CCO)C1 ZINC000079416556 384139680 /nfs/dbraw/zinc/13/96/80/384139680.db2.gz PXVPWQBQOYDPGT-NSHDSACASA-N 1 1 212.293 0.064 40 0 BCABMO CC(=O)N(C(C)C)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079416511 384140568 /nfs/dbraw/zinc/14/05/68/384140568.db2.gz FRNQCHQTKVILRU-GFCCVEGCSA-N 1 1 228.336 0.700 40 0 BCABMO CC[N@H+](CC(=O)[O-])CC1CC[NH+](C)CC1 ZINC000083318547 384287051 /nfs/dbraw/zinc/28/70/51/384287051.db2.gz HNEWIVUBUIVVBQ-UHFFFAOYSA-N 1 1 214.309 0.735 40 0 BCABMO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccc(F)cc1 ZINC000061707943 384398021 /nfs/dbraw/zinc/39/80/21/384398021.db2.gz NXUUYCMFFHLDSU-NSHDSACASA-N 1 1 238.262 0.831 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccc(F)cc1 ZINC000061707943 384398026 /nfs/dbraw/zinc/39/80/26/384398026.db2.gz NXUUYCMFFHLDSU-NSHDSACASA-N 1 1 238.262 0.831 40 0 BCABMO CC(C)CC[N@@H+]1CCc2nnc(CO)n2CC1 ZINC000096259187 384446099 /nfs/dbraw/zinc/44/60/99/384446099.db2.gz ABDHZZYJTFJILA-UHFFFAOYSA-N 1 1 238.335 0.675 40 0 BCABMO Cc1cc(C(=O)N2C[C@H]3CCC[NH2+][C@H]3C2)n[nH]1 ZINC000096157166 384439093 /nfs/dbraw/zinc/43/90/93/384439093.db2.gz RJBDOSUQYJQMHH-KOLCDFICSA-N 1 1 234.303 0.542 40 0 BCABMO Cc1cc(C(=O)N2CC[C@H]3[C@H]2CC[N@@H+]3C)no1 ZINC000096184242 384439723 /nfs/dbraw/zinc/43/97/23/384439723.db2.gz ZHNPOGQBASXNAJ-WDEREUQCSA-N 1 1 235.287 0.902 40 0 BCABMO Cn1c(=O)ccc2c1CC[N@H+]([C@@H]1CCOC1)CC2 ZINC000096196637 384442249 /nfs/dbraw/zinc/44/22/49/384442249.db2.gz UNXJBBBTHSZWST-GFCCVEGCSA-N 1 1 248.326 0.575 40 0 BCABMO NN[C@@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000199560391 384523833 /nfs/dbraw/zinc/52/38/33/384523833.db2.gz FQOUXFRTFFHEQU-ZDUSSCGKSA-N 1 1 235.331 0.913 40 0 BCABMO CCCCNC(=S)N1CC[NH+](C)CC1 ZINC000004216827 384938213 /nfs/dbraw/zinc/93/82/13/384938213.db2.gz PLNKMMDCIFNINR-UHFFFAOYSA-N 1 1 215.366 0.908 40 0 BCABMO O=C1NCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@H]12 ZINC000107824603 385003046 /nfs/dbraw/zinc/00/30/46/385003046.db2.gz QNPGOMXWJYATHN-MNOVXSKESA-N 1 1 220.272 0.848 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](CO)C1)NC1CCCCC1 ZINC000051886602 385016607 /nfs/dbraw/zinc/01/66/07/385016607.db2.gz CPKMXESUEOCFOH-LLVKDONJSA-N 1 1 240.347 0.750 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](CO)C1)NC1CCCCC1 ZINC000051886601 385018226 /nfs/dbraw/zinc/01/82/26/385018226.db2.gz CPKMXESUEOCFOH-NSHDSACASA-N 1 1 240.347 0.750 40 0 BCABMO CNC(=O)c1conc1[C@@H]1CCCC[NH2+]1 ZINC000072208434 385062469 /nfs/dbraw/zinc/06/24/69/385062469.db2.gz LDUJFEICIWULNC-QMMMGPOBSA-N 1 1 209.249 0.849 40 0 BCABMO CC(C)[C@H]([NH3+])c1nnc(Cn2cncn2)[nH]1 ZINC000095534736 385045253 /nfs/dbraw/zinc/04/52/53/385045253.db2.gz HFGLBVVQBIXXGJ-QMMMGPOBSA-N 1 1 221.268 0.100 40 0 BCABMO C[C@H]([NH3+])c1ccc(N2CCN(C)CC2)nc1 ZINC000072225531 385113833 /nfs/dbraw/zinc/11/38/33/385113833.db2.gz NJGWBRXZGRDKKT-JTQLQIEISA-N 1 1 220.320 0.853 40 0 BCABMO O=C(C[N@H+]1CC[C@H](CO)C1)NCc1ccco1 ZINC000051887868 385320179 /nfs/dbraw/zinc/32/01/79/385320179.db2.gz RRISHSLZVKUUFN-JTQLQIEISA-N 1 1 238.287 0.210 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](CO)C1)NCc1ccco1 ZINC000051887868 385320182 /nfs/dbraw/zinc/32/01/82/385320182.db2.gz RRISHSLZVKUUFN-JTQLQIEISA-N 1 1 238.287 0.210 40 0 BCABMO Cn1ccc(C[NH2+]CCN2CCCCC2)n1 ZINC000096524389 385274251 /nfs/dbraw/zinc/27/42/51/385274251.db2.gz QTGUPNCZGCXMOJ-UHFFFAOYSA-N 1 1 222.336 0.996 40 0 BCABMO CS(=O)(=O)[C@H](CO)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000096525080 385277904 /nfs/dbraw/zinc/27/79/04/385277904.db2.gz RSZALAAEUOFLCH-ZJUUUORDSA-N 1 1 247.291 0.231 40 0 BCABMO CS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1cccc(F)c1 ZINC000096525089 385278827 /nfs/dbraw/zinc/27/88/27/385278827.db2.gz MXRGMZBGNJMDJR-VHSXEESVSA-N 1 1 247.291 0.231 40 0 BCABMO CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1C[C@@H](O)C1 ZINC000575419621 387026798 /nfs/dbraw/zinc/02/67/98/387026798.db2.gz CDMWSIUZIIAWBF-RNJXMRFFSA-N 1 1 201.266 0.426 40 0 BCABMO [NH3+]Cc1noc(CNC(=O)c2ccco2)n1 ZINC000169676245 387853602 /nfs/dbraw/zinc/85/36/02/387853602.db2.gz PMSBXUJWLLNUNW-UHFFFAOYSA-N 1 1 222.204 0.051 40 0 BCABMO CCCn1cc(CNCC[NH+](C)C)cn1 ZINC000227280769 387856587 /nfs/dbraw/zinc/85/65/87/387856587.db2.gz QJJRPIAHYDVGRF-UHFFFAOYSA-N 1 1 210.325 0.944 40 0 BCABMO Cn1cc(C[NH2+]Cc2ccnn2CCF)cn1 ZINC000256054648 387863403 /nfs/dbraw/zinc/86/34/03/387863403.db2.gz XELBNJLDDZSXPF-UHFFFAOYSA-N 1 1 237.282 0.876 40 0 BCABMO CCCCN(CC)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000152117713 387881504 /nfs/dbraw/zinc/88/15/04/387881504.db2.gz DLBCGBOOGFNBNC-LLVKDONJSA-N 1 1 228.336 0.702 40 0 BCABMO [NH3+][C@@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000050228819 387926578 /nfs/dbraw/zinc/92/65/78/387926578.db2.gz SYSFPFIDYKKQNP-MRVPVSSYSA-N 1 1 230.271 0.736 40 0 BCABMO C[N@@H+]([C@H]1CCS(=O)(=O)C1)[Si](C)(C)C ZINC000195819868 388604113 /nfs/dbraw/zinc/60/41/13/388604113.db2.gz QBSDUQNPRYMKRR-QMMMGPOBSA-N 1 1 221.398 0.940 40 0 BCABMO CCCNc1ncc(CNCC[NH+](C)C)cn1 ZINC000062718460 388655914 /nfs/dbraw/zinc/65/59/14/388655914.db2.gz XZXYUAHWYXAODD-UHFFFAOYSA-N 1 1 237.351 0.950 40 0 BCABMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000095097810 388759470 /nfs/dbraw/zinc/75/94/70/388759470.db2.gz YGUBCZRDZZKDSF-VXGBXAGGSA-N 1 1 240.347 0.966 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[C@@H](O)[C@@H]1CCC[N@H+]21 ZINC000242495877 388818291 /nfs/dbraw/zinc/81/82/91/388818291.db2.gz GRLNGRUGXJVCJH-CSYMLDBXSA-N 1 1 239.315 0.783 40 0 BCABMO CC[N@H+]1C[C@H]2C[C@@H](C(=O)N(C)C)[C@@H](C1)O2 ZINC000248003223 170040703 /nfs/dbraw/zinc/04/07/03/170040703.db2.gz ODHYWYIQAHRMKI-OPRDCNLKSA-N 1 1 212.293 0.184 40 0 BCABMO CCOC(=O)c1c(C)[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000038580624 170290218 /nfs/dbraw/zinc/29/02/18/170290218.db2.gz UZOJYTDKZIVWMZ-MRVPVSSYSA-N 1 1 223.276 0.972 40 0 BCABMO CCc1noc(-c2cn3c(n2)C[NH2+]CC3)n1 ZINC000328579585 172072181 /nfs/dbraw/zinc/07/21/81/172072181.db2.gz PZRJCYFGNCAFDT-UHFFFAOYSA-N 1 1 219.248 0.599 40 0 BCABMO CN(C(=O)C[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061707773 172309445 /nfs/dbraw/zinc/30/94/45/172309445.db2.gz ZREUUHFEVJFINO-LBPRGKRZSA-N 1 1 234.299 0.716 40 0 BCABMO CN(C(=O)C[N@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000061707773 172309448 /nfs/dbraw/zinc/30/94/48/172309448.db2.gz ZREUUHFEVJFINO-LBPRGKRZSA-N 1 1 234.299 0.716 40 0 BCABMO CN(C)C(=O)[C@@H]1CCCC[N@H+]1C[C@@H]1CO1 ZINC000095097818 172383678 /nfs/dbraw/zinc/38/36/78/172383678.db2.gz XNLZACRAAZUECN-ZJUUUORDSA-N 1 1 212.293 0.328 40 0 BCABMO C[N@@H+]1CCC[C@H](C[NH+](CC(=O)[O-])C2CC2)C1 ZINC000083318620 173041390 /nfs/dbraw/zinc/04/13/90/173041390.db2.gz OFFJJKTZDONHKX-JTQLQIEISA-N 1 1 226.320 0.877 40 0 BCABMO C[N@H+]1CCC[C@H](C[NH+](CC(=O)[O-])C2CC2)C1 ZINC000083318620 173041393 /nfs/dbraw/zinc/04/13/93/173041393.db2.gz OFFJJKTZDONHKX-JTQLQIEISA-N 1 1 226.320 0.877 40 0 BCABMO C[NH+]1CCC[C@H](C[N@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318620 173041394 /nfs/dbraw/zinc/04/13/94/173041394.db2.gz OFFJJKTZDONHKX-JTQLQIEISA-N 1 1 226.320 0.877 40 0 BCABMO C[NH+]1CCC[C@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318620 173041396 /nfs/dbraw/zinc/04/13/96/173041396.db2.gz OFFJJKTZDONHKX-JTQLQIEISA-N 1 1 226.320 0.877 40 0 BCABMO C[N@H+]1CCC[C@H](c2cccc(C(N)=O)n2)C1 ZINC000072381201 173048872 /nfs/dbraw/zinc/04/88/72/173048872.db2.gz QEDSRKMWEFSOSX-VIFPVBQESA-N 1 1 219.288 0.990 40 0 BCABMO CN1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000060258088 173069979 /nfs/dbraw/zinc/06/99/79/173069979.db2.gz NBDXARFHJHZTLW-LLVKDONJSA-N 1 1 225.336 0.102 40 0 BCABMO C[NH+]1CCN(C(=O)[C@H](O)c2ccccc2)CC1 ZINC000031689399 173071434 /nfs/dbraw/zinc/07/14/34/173071434.db2.gz XIVAMOAGOYPBOS-GFCCVEGCSA-N 1 1 234.299 0.494 40 0 BCABMO C[NH+]1CCN(C[C@@H](O)COC2CCCC2)CC1 ZINC000022917953 173085091 /nfs/dbraw/zinc/08/50/91/173085091.db2.gz RNBYIGKRDGOGHG-GFCCVEGCSA-N 1 1 242.363 0.554 40 0 BCABMO C[NH+]1CCN(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000005343287 173090938 /nfs/dbraw/zinc/09/09/38/173090938.db2.gz ZGHQBXQWMSZVDZ-TUAOUCFPSA-N 1 1 237.347 0.701 40 0 BCABMO C[NH+]1CC[C@@H](C[N@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318609 173113213 /nfs/dbraw/zinc/11/32/13/173113213.db2.gz YUMYCSDOTCPUAC-SECBINFHSA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+]1CC[C@@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318609 173113215 /nfs/dbraw/zinc/11/32/15/173113215.db2.gz YUMYCSDOTCPUAC-SECBINFHSA-N 1 1 212.293 0.487 40 0 BCABMO CN1CC[C@H]([NH3+])[C@H](Cc2cccnc2)C1 ZINC000082379345 173148105 /nfs/dbraw/zinc/14/81/05/173148105.db2.gz JVZFEGVETJRMMF-NEPJUHHUSA-N 1 1 205.305 0.903 40 0 BCABMO COCC[N@@H+]1CCC[C@H]1c1nncn1C ZINC000072357051 174308583 /nfs/dbraw/zinc/30/85/83/174308583.db2.gz WXGKRBXIJPRRIJ-VIFPVBQESA-N 1 1 210.281 0.598 40 0 BCABMO COCC[N@H+]1CCC[C@H]1c1nncn1C ZINC000072357051 174308585 /nfs/dbraw/zinc/30/85/85/174308585.db2.gz WXGKRBXIJPRRIJ-VIFPVBQESA-N 1 1 210.281 0.598 40 0 BCABMO COc1cccc([C@H]([NH3+])c2ncn(C)n2)c1 ZINC000095533637 175295299 /nfs/dbraw/zinc/29/52/99/175295299.db2.gz UQAMHVGWXFOFNV-JTQLQIEISA-N 1 1 218.260 0.872 40 0 BCABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccncc1 ZINC000072397646 176323816 /nfs/dbraw/zinc/32/38/16/176323816.db2.gz ZVBFTPDSRCSROH-MRVWCRGKSA-N 1 1 247.342 0.721 40 0 BCABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccco1 ZINC000072397626 176323913 /nfs/dbraw/zinc/32/39/13/176323913.db2.gz COXAUDVZDZOWSA-IJLUTSLNSA-N 1 1 236.315 0.919 40 0 BCABMO C[C@H](c1cnccn1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089042 177051294 /nfs/dbraw/zinc/05/12/94/177051294.db2.gz BABHTXOUBDXBPZ-NXEZZACHSA-N 1 1 207.277 0.994 40 0 BCABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1C[C@@H]1CCOC1 ZINC000072397598 177279605 /nfs/dbraw/zinc/27/96/05/177279605.db2.gz AVBPYSFSAZVIET-WUHRBBMRSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@@H+]1C[C@@H]1CCOC1 ZINC000072397598 177279607 /nfs/dbraw/zinc/27/96/07/177279607.db2.gz AVBPYSFSAZVIET-WUHRBBMRSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@H+]1C[C@@H]1CCOC1 ZINC000072397598 177279608 /nfs/dbraw/zinc/27/96/08/177279608.db2.gz AVBPYSFSAZVIET-WUHRBBMRSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1C[C@@H]1CCOC1 ZINC000072397599 177280393 /nfs/dbraw/zinc/28/03/93/177280393.db2.gz AVBPYSFSAZVIET-ZDEQEGDKSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@@H+]1C[C@@H]1CCOC1 ZINC000072397599 177280395 /nfs/dbraw/zinc/28/03/95/177280395.db2.gz AVBPYSFSAZVIET-ZDEQEGDKSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@H+]1C[C@@H]1CCOC1 ZINC000072397599 177280397 /nfs/dbraw/zinc/28/03/97/177280397.db2.gz AVBPYSFSAZVIET-ZDEQEGDKSA-N 1 1 240.347 0.162 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@@H](C)[C@@H]([C@@H](C)O)[C@H]1C ZINC000072210477 343976635 /nfs/dbraw/zinc/97/66/35/343976635.db2.gz DCBCKPVQVGMBSL-MQIGXGKASA-N 1 1 215.293 0.543 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCC(O)CC2)C1 ZINC000096629213 349446935 /nfs/dbraw/zinc/44/69/35/349446935.db2.gz DPMURLDOIPPJFN-JTQLQIEISA-N 1 1 226.320 0.312 40 0 BCABMO CCN1CCN(c2ccc(C[NH3+])c(C)n2)CC1 ZINC000072224668 259322188 /nfs/dbraw/zinc/32/21/88/259322188.db2.gz GHADIYOJTOWDTR-UHFFFAOYSA-N 1 1 234.347 0.991 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@H](C)[C@H]([C@@H](C)O)[C@@H]1C ZINC000242463473 398314220 /nfs/dbraw/zinc/31/42/20/398314220.db2.gz DCBCKPVQVGMBSL-VAPHQMJDSA-N 1 1 215.293 0.543 40 0 BCABMO COc1ccc(N)cc1C(=O)N1CC[NH+](C)CC1 ZINC000020156045 342972779 /nfs/dbraw/zinc/97/27/79/342972779.db2.gz UPAHRZULZJMFCV-UHFFFAOYSA-N 1 1 249.314 0.665 40 0 BCABMO COC(=O)C[C@@H](C)[NH+]1CCN(C(C)=O)CC1 ZINC000035750807 349719095 /nfs/dbraw/zinc/71/90/95/349719095.db2.gz WDJVUCIWQARJGJ-SECBINFHSA-N 1 1 228.292 0.102 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000260622221 343228519 /nfs/dbraw/zinc/22/85/19/343228519.db2.gz SYGOSVBFELKSMR-GFCCVEGCSA-N 1 1 242.363 0.949 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000260622225 343228627 /nfs/dbraw/zinc/22/86/27/343228627.db2.gz SYGOSVBFELKSMR-LBPRGKRZSA-N 1 1 242.363 0.949 40 0 BCABMO CC(=O)N1CCC[C@@H]([N@@H+](CCO)C2CC2)C1 ZINC000079405493 187262841 /nfs/dbraw/zinc/26/28/41/187262841.db2.gz GCWMBZJLJNZELH-GFCCVEGCSA-N 1 1 226.320 0.454 40 0 BCABMO CC(=O)N1CC[C@H]([N@@H+](CCN)C(C)C)C1 ZINC000079422744 187263428 /nfs/dbraw/zinc/26/34/28/187263428.db2.gz JMHXZIBLIPXFIZ-NSHDSACASA-N 1 1 213.325 0.276 40 0 BCABMO CC(=O)N1CC[C@H]([N@H+](CCN)C(C)C)C1 ZINC000079422744 187263430 /nfs/dbraw/zinc/26/34/30/187263430.db2.gz JMHXZIBLIPXFIZ-NSHDSACASA-N 1 1 213.325 0.276 40 0 BCABMO CC(C)N(C[C@H]1CCCC[N@@H+]1C)C(=O)CN ZINC000079406969 187263602 /nfs/dbraw/zinc/26/36/02/187263602.db2.gz FTAVDGTUWKRVMD-LLVKDONJSA-N 1 1 227.352 0.666 40 0 BCABMO CC(C)N(C[C@H]1CCCC[N@H+]1C)C(=O)CN ZINC000079406969 187263604 /nfs/dbraw/zinc/26/36/04/187263604.db2.gz FTAVDGTUWKRVMD-LLVKDONJSA-N 1 1 227.352 0.666 40 0 BCABMO CC(=O)N[C@@H]1CCCC[C@H]1[N@@H+](CCO)C1CC1 ZINC000079405539 187263661 /nfs/dbraw/zinc/26/36/61/187263661.db2.gz YRWHMDNLGJCEFG-CHWSQXEVSA-N 1 1 240.347 0.890 40 0 BCABMO O=C(C[NH+]1CCC(O)CC1)NCc1ccco1 ZINC000015306851 343772803 /nfs/dbraw/zinc/77/28/03/343772803.db2.gz IJHFIRQYVHKYSA-UHFFFAOYSA-N 1 1 238.287 0.353 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccc2c(c1)OCO2 ZINC000096526017 343759843 /nfs/dbraw/zinc/75/98/43/343759843.db2.gz AUTQCVXYWUBPHR-WDEREUQCSA-N 1 1 234.255 0.646 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccccc1OC ZINC000096526105 343760087 /nfs/dbraw/zinc/76/00/87/343760087.db2.gz YAEOYMFZXMWRBA-GHMZBOCLSA-N 1 1 220.272 0.926 40 0 BCABMO Nc1ccc[nH+]c1N1C[C@H]2C[C@@H](C1)C2O ZINC000409428002 343802760 /nfs/dbraw/zinc/80/27/60/343802760.db2.gz LQAAZGVRFRDKJG-JWHQNHQBSA-N 1 1 205.261 0.481 40 0 BCABMO COCCN(CCOC)c1cc(N)nc(C)[nH+]1 ZINC000130243522 343788293 /nfs/dbraw/zinc/78/82/93/343788293.db2.gz HQFTZBWAMWUPLR-UHFFFAOYSA-N 1 1 240.307 0.466 40 0 BCABMO CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000051886674 343788851 /nfs/dbraw/zinc/78/88/51/343788851.db2.gz PJRFXHXYWUCBDR-GFCCVEGCSA-N 1 1 242.363 0.949 40 0 BCABMO CCn1ccc(-c2noc(C[NH3+])n2)cc1=O ZINC000409422636 343813857 /nfs/dbraw/zinc/81/38/57/343813857.db2.gz GYTJODLISZSCRI-UHFFFAOYSA-N 1 1 220.232 0.377 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CCC(C)C)CC[C@@H]1O ZINC000409422624 343813897 /nfs/dbraw/zinc/81/38/97/343813897.db2.gz ITROJPKQKNFTBV-MNOVXSKESA-N 1 1 229.320 0.888 40 0 BCABMO CCCC[N@H+]1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409422895 343814440 /nfs/dbraw/zinc/81/44/40/343814440.db2.gz LZWGYLDPMNNKHF-NXEZZACHSA-N 1 1 215.293 0.642 40 0 BCABMO C[NH2+]Cc1nc(-c2ccn(C)c(=O)c2)no1 ZINC000409423044 343814899 /nfs/dbraw/zinc/81/48/99/343814899.db2.gz KWTZICZMPQGXMD-UHFFFAOYSA-N 1 1 220.232 0.155 40 0 BCABMO O=Cc1cn(C[C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409423357 343815296 /nfs/dbraw/zinc/81/52/96/343815296.db2.gz BLCRINFCFGZLOB-NSHDSACASA-N 1 1 234.303 0.823 40 0 BCABMO C[N@H+]1CCCC[C@H]1Cn1cc(CO)nn1 ZINC000409423782 343816217 /nfs/dbraw/zinc/81/62/17/343816217.db2.gz DAZALXPGJSEKPJ-JTQLQIEISA-N 1 1 210.281 0.255 40 0 BCABMO CC[N@H+]1CCC[C@@H]1Cn1cc(CO)nn1 ZINC000409425347 343819234 /nfs/dbraw/zinc/81/92/34/343819234.db2.gz KYSMJTAQXHLFBV-SNVBAGLBSA-N 1 1 210.281 0.255 40 0 BCABMO Cc1nc(NCC[NH3+])cc(N2CCC2)n1 ZINC000409425876 343820892 /nfs/dbraw/zinc/82/08/92/343820892.db2.gz CCAPGZICFZHUJL-UHFFFAOYSA-N 1 1 207.281 0.366 40 0 BCABMO C[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1CO ZINC000409426135 343821368 /nfs/dbraw/zinc/82/13/68/343821368.db2.gz HNYMMANAGANPPE-RKDXNWHRSA-N 1 1 207.277 0.728 40 0 BCABMO Nc1ccc(N2C[C@H]3C[C@@H](C2)C3O)[nH+]c1 ZINC000409432878 343828132 /nfs/dbraw/zinc/82/81/32/343828132.db2.gz WUNCMXQBMBYPKI-OQJHAAMPSA-N 1 1 205.261 0.481 40 0 BCABMO C[N@@H+]1C[C@H]2CN(c3ccc(=O)[nH]n3)C[C@H]2C1 ZINC000409428423 343803680 /nfs/dbraw/zinc/80/36/80/343803680.db2.gz FGPCHWLBCPXPBR-DTORHVGOSA-N 1 1 220.276 0.180 40 0 BCABMO CO[C@H]1CCOC2(CCN(CCC[NH3+])CC2)C1 ZINC000409428764 343804211 /nfs/dbraw/zinc/80/42/11/343804211.db2.gz NAICVDQMGYWRIV-LBPRGKRZSA-N 1 1 242.363 0.995 40 0 BCABMO CCO[C@@H]1CN(c2[nH+]cccc2N)C[C@@H]1O ZINC000409429003 343804684 /nfs/dbraw/zinc/80/46/84/343804684.db2.gz HFNYSCYXEBKYEM-VHSXEESVSA-N 1 1 223.276 0.250 40 0 BCABMO Cn1ccc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000409440073 343853879 /nfs/dbraw/zinc/85/38/79/343853879.db2.gz VPLVBHAOBKKPPA-SNVBAGLBSA-N 1 1 209.293 0.592 40 0 BCABMO O[C@H]1CCN(C2CC[NH2+]CC2)C[C@@H]1CCF ZINC000409435026 343835744 /nfs/dbraw/zinc/83/57/44/343835744.db2.gz SBEGEVHQWRQTOD-JQWIXIFHSA-N 1 1 230.327 0.781 40 0 BCABMO CC(C)C[C@@H]1C[N@@H+](CCO)CC[C@@H]1O ZINC000409436157 343837427 /nfs/dbraw/zinc/83/74/27/343837427.db2.gz YJNOKTVWYMZEFA-MNOVXSKESA-N 1 1 201.310 0.708 40 0 BCABMO CCO[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@H]1O ZINC000409436227 343837848 /nfs/dbraw/zinc/83/78/48/343837848.db2.gz YTRRTXFWAQGDER-NXEZZACHSA-N 1 1 223.276 0.250 40 0 BCABMO CCO[C@@H]1CN(CCC[NH3+])C[C@H]1OCC ZINC000409435803 343839866 /nfs/dbraw/zinc/83/98/66/343839866.db2.gz WOXFNCZICQYRQP-GHMZBOCLSA-N 1 1 216.325 0.461 40 0 BCABMO [NH3+]Cc1noc(C2(n3cccc3)CCOCC2)n1 ZINC000409442561 343858976 /nfs/dbraw/zinc/85/89/76/343858976.db2.gz WZWAAKJYLVSXJV-UHFFFAOYSA-N 1 1 248.286 0.884 40 0 BCABMO CN1C[C@@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099683 344131800 /nfs/dbraw/zinc/13/18/00/344131800.db2.gz XJMWLWNNHOWPDC-CYBMUJFWSA-N 1 1 248.330 0.474 40 0 BCABMO COCC[N@H+]1CCC[C@@]2(CN(C(C)C)C2=O)C1 ZINC000585099404 344132022 /nfs/dbraw/zinc/13/20/22/344132022.db2.gz IKRSDDIOBOSDGS-ZDUSSCGKSA-N 1 1 240.347 0.966 40 0 BCABMO CC(C)C[N@H+]1C[C@H]2C[C@H](C(=O)N(C)C)[C@@H](C1)O2 ZINC000096252836 344371247 /nfs/dbraw/zinc/37/12/47/344371247.db2.gz WBAHRVTYZJHPQQ-GRYCIOLGSA-N 1 1 240.347 0.820 40 0 BCABMO COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)[C@H](O)[C@H]1CCC[N@@H+]12 ZINC000085398568 344527720 /nfs/dbraw/zinc/52/77/20/344527720.db2.gz GRLNGRUGXJVCJH-ZIQFBCGOSA-N 1 1 239.315 0.783 40 0 BCABMO [NH3+]C[C@H]1CCCN(C(=O)c2cnc[nH]2)C1 ZINC000084377546 345922888 /nfs/dbraw/zinc/92/28/88/345922888.db2.gz FDLDQYQHDXNPHX-MRVPVSSYSA-N 1 1 208.265 0.221 40 0 BCABMO CNc1cc(N2CCC[C@@H](O)C2)[nH+]c(C)n1 ZINC000087811609 345941844 /nfs/dbraw/zinc/94/18/44/345941844.db2.gz SXQGAYULSLVCME-SECBINFHSA-N 1 1 222.292 0.788 40 0 BCABMO Cc1cccc(CO[C@H]2C[C@@H]3CNCC[N@@H+]3C2)n1 ZINC000107359673 179103300 /nfs/dbraw/zinc/10/33/00/179103300.db2.gz PKHHPUDIVMQSLL-KGLIPLIRSA-N 1 1 247.342 0.953 40 0 BCABMO Cc1cccc(CO[C@H]2C[C@@H]3CNCC[N@H+]3C2)n1 ZINC000107359673 179103303 /nfs/dbraw/zinc/10/33/03/179103303.db2.gz PKHHPUDIVMQSLL-KGLIPLIRSA-N 1 1 247.342 0.953 40 0 BCABMO Cc1nccc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072379979 180208684 /nfs/dbraw/zinc/20/86/84/180208684.db2.gz VUAUGCINXZOIHI-NSHDSACASA-N 1 1 221.304 0.957 40 0 BCABMO Cc1nn(C)cc1C(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000002767815 180367717 /nfs/dbraw/zinc/36/77/17/180367717.db2.gz GTANTPGZBJMKMF-NSHDSACASA-N 1 1 248.330 0.649 40 0 BCABMO CO[C@H]1CN(CCC[NH3+])C[C@@H]1n1cccn1 ZINC000409434222 350473536 /nfs/dbraw/zinc/47/35/36/350473536.db2.gz OPLZGDDRRLENTQ-QWRGUYRKSA-N 1 1 224.308 0.104 40 0 BCABMO C[N@H+]1CCCC[C@H]1Cn1cc(C=O)nn1 ZINC000409424103 350475605 /nfs/dbraw/zinc/47/56/05/350475605.db2.gz FDLRAYMUJKNYJZ-JTQLQIEISA-N 1 1 208.265 0.575 40 0 BCABMO CCO[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@H]1OC ZINC000409436462 350479000 /nfs/dbraw/zinc/47/90/00/350479000.db2.gz ZYRBACGLEVWBBA-GHMZBOCLSA-N 1 1 237.303 0.904 40 0 BCABMO CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000051887045 191113605 /nfs/dbraw/zinc/11/36/05/191113605.db2.gz WPYNRGNGDUETHE-SECBINFHSA-N 1 1 214.309 0.215 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@H+](CCN)C2CC2)C1 ZINC000079405765 188291618 /nfs/dbraw/zinc/29/16/18/188291618.db2.gz AQZNBXYWKQXSHE-LBPRGKRZSA-N 1 1 239.363 0.668 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@@H+](CCN)C2CC2)C1 ZINC000079405765 188291621 /nfs/dbraw/zinc/29/16/21/188291621.db2.gz AQZNBXYWKQXSHE-LBPRGKRZSA-N 1 1 239.363 0.668 40 0 BCABMO CC(=O)N[C@H]1CCCC[C@H]1[N@@H+](C)CCO ZINC000079405320 188291970 /nfs/dbraw/zinc/29/19/70/188291970.db2.gz PAQWQXHHQFYBJS-WDEREUQCSA-N 1 1 214.309 0.358 40 0 BCABMO CC(=O)N1CCC[C@@H](C[N@H+](CCO)C(C)C)C1 ZINC000079405433 188291990 /nfs/dbraw/zinc/29/19/90/188291990.db2.gz UEQVIJZISFKSLY-ZDUSSCGKSA-N 1 1 242.363 0.948 40 0 BCABMO CC(=O)N1CCCC[C@@H]1C[N@@H+](C)CCO ZINC000079405291 188292149 /nfs/dbraw/zinc/29/21/49/188292149.db2.gz PFBNRYWDLXKFJB-LLVKDONJSA-N 1 1 214.309 0.312 40 0 BCABMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000072397786 188307414 /nfs/dbraw/zinc/30/74/14/188307414.db2.gz GIHDFKDBCMZBHK-NSHDSACASA-N 1 1 223.320 0.933 40 0 BCABMO CC(C)[N@@H+](CCO)C[C@H]1CCN(C)C1 ZINC000079406031 188312358 /nfs/dbraw/zinc/31/23/58/188312358.db2.gz JOVVPVUGQBVIET-NSHDSACASA-N 1 1 200.326 0.641 40 0 BCABMO CC(C)[C@@H]([NH3+])c1nnc(Cn2cncn2)[nH]1 ZINC000095534737 188319882 /nfs/dbraw/zinc/31/98/82/188319882.db2.gz HFGLBVVQBIXXGJ-MRVPVSSYSA-N 1 1 221.268 0.100 40 0 BCABMO [NH3+]CC(=O)c1ccc(Br)cn1 ZINC000083298904 188355911 /nfs/dbraw/zinc/35/59/11/188355911.db2.gz LHQLHVNDRODMQA-UHFFFAOYSA-N 1 1 215.050 0.986 40 0 BCABMO NC(=O)C[N@@H+]1CCOC[C@@H](Cc2ccccc2)C1 ZINC000257205289 181233004 /nfs/dbraw/zinc/23/30/04/181233004.db2.gz AYKDULRTEOWWCK-ZDUSSCGKSA-N 1 1 248.326 0.663 40 0 BCABMO NC(=O)C[N@H+]1CCOC[C@@H](Cc2ccccc2)C1 ZINC000257205289 181233005 /nfs/dbraw/zinc/23/30/05/181233005.db2.gz AYKDULRTEOWWCK-ZDUSSCGKSA-N 1 1 248.326 0.663 40 0 BCABMO NC(=O)[C@]1(c2cnccn2)CCC[N@@H+]1CC1CC1 ZINC000257221851 181286476 /nfs/dbraw/zinc/28/64/76/181286476.db2.gz DQUQGTAZQCNXKN-CYBMUJFWSA-N 1 1 246.314 0.663 40 0 BCABMO NC(=O)[C@]1(c2cnccn2)CCC[N@H+]1CC1CC1 ZINC000257221851 181286478 /nfs/dbraw/zinc/28/64/78/181286478.db2.gz DQUQGTAZQCNXKN-CYBMUJFWSA-N 1 1 246.314 0.663 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCCCCC1 ZINC000051886599 358765720 /nfs/dbraw/zinc/76/57/20/358765720.db2.gz VXUDXTHTEYPFDY-LBPRGKRZSA-N 1 1 240.347 0.703 40 0 BCABMO COC(=O)[C@@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000002540515 368369418 /nfs/dbraw/zinc/36/94/18/368369418.db2.gz HGSNWIDVQSMJKV-QMMMGPOBSA-N 1 1 244.291 0.354 40 0 BCABMO CCN1CCN(C[C@@H]([NH3+])CCSC)CC1 ZINC000019852815 371193879 /nfs/dbraw/zinc/19/38/79/371193879.db2.gz IRXYRJDFAWHKHL-NSHDSACASA-N 1 1 231.409 0.704 40 0 BCABMO O=C(NCc1cn2c(n1)C[NH2+]CC2)C1CCC1 ZINC000107499946 182268744 /nfs/dbraw/zinc/26/87/44/182268744.db2.gz JSUSPDRYMLUOPG-UHFFFAOYSA-N 1 1 234.303 0.403 40 0 BCABMO O=c1[nH]cnc2c(C[NH+]3CC(CO)C3)c[nH]c21 ZINC000014977914 183040844 /nfs/dbraw/zinc/04/08/44/183040844.db2.gz FADVRXOASKIWLY-UHFFFAOYSA-N 1 1 234.259 0.088 40 0 BCABMO OCC[N@H+]1CCC[C@@H](Cc2cc[nH]n2)C1 ZINC000257305099 183074616 /nfs/dbraw/zinc/07/46/16/183074616.db2.gz SOLBBEDPWGGLEW-JTQLQIEISA-N 1 1 209.293 0.657 40 0 BCABMO OCC[N@@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257305099 183074617 /nfs/dbraw/zinc/07/46/17/183074617.db2.gz SOLBBEDPWGGLEW-JTQLQIEISA-N 1 1 209.293 0.657 40 0 BCABMO OCC[N@H+]1CCC[C@@H](Cc2ccn[nH]2)C1 ZINC000257305099 183074619 /nfs/dbraw/zinc/07/46/19/183074619.db2.gz SOLBBEDPWGGLEW-JTQLQIEISA-N 1 1 209.293 0.657 40 0 BCABMO OCc1cn([C@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000328775559 183169324 /nfs/dbraw/zinc/16/93/24/183169324.db2.gz KQVACKMILQEJMQ-LBPRGKRZSA-N 1 1 236.319 0.960 40 0 BCABMO O=c1nc[nH]c2nc(N3CC[NH2+]CC3)sc21 ZINC000328579539 183308832 /nfs/dbraw/zinc/30/88/32/183308832.db2.gz OEVUPOWCLXCAQR-UHFFFAOYSA-N 1 1 237.288 0.202 40 0 BCABMO CC(=O)N[C@@H]1CCCC[C@H]1[N@@H+](C)CCO ZINC000079405317 384133481 /nfs/dbraw/zinc/13/34/81/384133481.db2.gz PAQWQXHHQFYBJS-GHMZBOCLSA-N 1 1 214.309 0.358 40 0 BCABMO CC[N@@H+](CCO)C[C@@H]1CCCCN1C(C)=O ZINC000079405355 384133781 /nfs/dbraw/zinc/13/37/81/384133781.db2.gz ZAFLBPSYQREDNZ-LBPRGKRZSA-N 1 1 228.336 0.702 40 0 BCABMO CC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1 ZINC000079405528 384133969 /nfs/dbraw/zinc/13/39/69/384133969.db2.gz YRWHMDNLGJCEFG-OLZOCXBDSA-N 1 1 240.347 0.890 40 0 BCABMO CC[N@@H+](CCO)C[C@H]1CCCCN1C ZINC000079405966 384135681 /nfs/dbraw/zinc/13/56/81/384135681.db2.gz PMQRPAODCFDSHA-LLVKDONJSA-N 1 1 200.326 0.785 40 0 BCABMO CCN(CCO)C[C@H]1CCCC[N@@H+]1C ZINC000079405966 384135683 /nfs/dbraw/zinc/13/56/83/384135683.db2.gz PMQRPAODCFDSHA-LLVKDONJSA-N 1 1 200.326 0.785 40 0 BCABMO CCN(CCO)C[C@H]1CCCC[N@H+]1C ZINC000079405966 384135687 /nfs/dbraw/zinc/13/56/87/384135687.db2.gz PMQRPAODCFDSHA-LLVKDONJSA-N 1 1 200.326 0.785 40 0 BCABMO CC(C)(C)OC(=O)NC[C@@H]1CC[N@@H+](CCO)C1 ZINC000079407811 384135988 /nfs/dbraw/zinc/13/59/88/384135988.db2.gz TWHZPRPREHAIJU-JTQLQIEISA-N 1 1 244.335 0.825 40 0 BCABMO CC(=O)N(C(C)C)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079416512 384139621 /nfs/dbraw/zinc/13/96/21/384139621.db2.gz FRNQCHQTKVILRU-LBPRGKRZSA-N 1 1 228.336 0.700 40 0 BCABMO NC(=O)c1cccc([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072356858 384211192 /nfs/dbraw/zinc/21/11/92/384211192.db2.gz BPKGIIOBCUBKFP-SNVBAGLBSA-N 1 1 249.314 0.352 40 0 BCABMO Cc1c[nH]nc1[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072361140 384214014 /nfs/dbraw/zinc/21/40/14/384214014.db2.gz SEWQCJQRXICCGA-VIFPVBQESA-N 1 1 222.292 0.383 40 0 BCABMO Cc1c[nH]nc1[C@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072361140 384214017 /nfs/dbraw/zinc/21/40/17/384214017.db2.gz SEWQCJQRXICCGA-VIFPVBQESA-N 1 1 222.292 0.383 40 0 BCABMO CN(C)c1nccnc1[C@H]1CCC[N@H+]1CCO ZINC000072381353 384215802 /nfs/dbraw/zinc/21/58/02/384215802.db2.gz DEDHLZBCGQZOPV-SNVBAGLBSA-N 1 1 236.319 0.672 40 0 BCABMO Cn1cc(C[N@H+]2CC[C@@H](c3nncn3C)C2)cn1 ZINC000072382268 384220604 /nfs/dbraw/zinc/22/06/04/384220604.db2.gz STXXLJLAJOJGEI-LLVKDONJSA-N 1 1 246.318 0.538 40 0 BCABMO C[NH+]1CCC(C[N@@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083318625 384290630 /nfs/dbraw/zinc/29/06/30/384290630.db2.gz GNUDUBKEDBHTMH-UHFFFAOYSA-N 1 1 226.320 0.877 40 0 BCABMO CC(C)N(C(=O)C[N@H+]1CC[C@@H](O)C1)C(C)C ZINC000061707860 384398437 /nfs/dbraw/zinc/39/84/37/384398437.db2.gz ZMGCCEASHJYSSH-LLVKDONJSA-N 1 1 228.336 0.698 40 0 BCABMO O=C1C[C@H]2[C@@H](CC[N@H+]2Cc2ccoc2)N1 ZINC000096245674 384447456 /nfs/dbraw/zinc/44/74/56/384447456.db2.gz YLTBRRNUFCZPPW-ZJUUUORDSA-N 1 1 206.245 0.742 40 0 BCABMO O=C1CC[C@H]2[C@@H](CC[N@H+]2CC2CCOCC2)N1 ZINC000096056457 384430072 /nfs/dbraw/zinc/43/00/72/384430072.db2.gz VABHVMNSCPQZEH-NEPJUHHUSA-N 1 1 238.331 0.766 40 0 BCABMO C[N@@H+]1CCOCC12CCN(c1ncccn1)CC2 ZINC000096048907 384430325 /nfs/dbraw/zinc/43/03/25/384430325.db2.gz UBSYWPYGCNOQEF-UHFFFAOYSA-N 1 1 248.330 0.778 40 0 BCABMO C[N@H+]1CCOCC12CCN(c1ncccn1)CC2 ZINC000096048907 384430327 /nfs/dbraw/zinc/43/03/27/384430327.db2.gz UBSYWPYGCNOQEF-UHFFFAOYSA-N 1 1 248.330 0.778 40 0 BCABMO COC[C@@H]1C[N@@H+](CC2CC2)Cc2nnn(C)c21 ZINC000096060639 384432547 /nfs/dbraw/zinc/43/25/47/384432547.db2.gz VOMQADFMNFKVFA-JTQLQIEISA-N 1 1 236.319 0.771 40 0 BCABMO O=C1Nc2ccccc2[C@@]12CC[N@H+](CCO)C2 ZINC000096080461 384435005 /nfs/dbraw/zinc/43/50/05/384435005.db2.gz UHPSWDWQRVUDJC-ZDUSSCGKSA-N 1 1 232.283 0.575 40 0 BCABMO c1ccc(C[C@H]2COC3(COC3)[NH2+]2)cc1 ZINC000238048621 384478510 /nfs/dbraw/zinc/47/85/10/384478510.db2.gz ULISANSRFYERCR-NSHDSACASA-N 1 1 205.257 0.944 40 0 BCABMO Cc1cc(C(=O)N2CCC([NH3+])CC2)n[nH]1 ZINC000069906537 384638131 /nfs/dbraw/zinc/63/81/31/384638131.db2.gz OOMILTFEJHMUEF-UHFFFAOYSA-N 1 1 208.265 0.281 40 0 BCABMO CN(C)CCC[NH2+]CC1CCOCC1 ZINC000052171915 384721283 /nfs/dbraw/zinc/72/12/83/384721283.db2.gz WTKKIQFCRBLVHT-UHFFFAOYSA-N 1 1 200.326 0.954 40 0 BCABMO O=C([C@H]1COCC[NH2+]1)N1CCCCCC1 ZINC000083871952 384912164 /nfs/dbraw/zinc/91/21/64/384912164.db2.gz VWZURGPMGQTHHP-SNVBAGLBSA-N 1 1 212.293 0.377 40 0 BCABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2C)cc1OC ZINC000072228260 385127657 /nfs/dbraw/zinc/12/76/57/385127657.db2.gz PPRBDPCRCSBCOK-GHMZBOCLSA-N 1 1 236.271 0.544 40 0 BCABMO O=C(C1C[NH2+]C1)N1CCN(C2CCCC2)CC1 ZINC000091415320 385314888 /nfs/dbraw/zinc/31/48/88/385314888.db2.gz IGIDYEJYQFBDMI-UHFFFAOYSA-N 1 1 237.347 0.293 40 0 BCABMO CC(C)(C)OC(=O)N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000167488306 385318126 /nfs/dbraw/zinc/31/81/26/385318126.db2.gz INNSLFVFDMOBJY-SNVBAGLBSA-N 1 1 242.319 0.672 40 0 BCABMO CC(C)(C)OC(=O)N1CC([N@H+]2CC[C@@H](O)C2)C1 ZINC000167488306 385318132 /nfs/dbraw/zinc/31/81/32/385318132.db2.gz INNSLFVFDMOBJY-SNVBAGLBSA-N 1 1 242.319 0.672 40 0 BCABMO [NH3+][C@@H]1CCN(Cc2n[nH]c3c2CCCC3)C1 ZINC000096523502 385269500 /nfs/dbraw/zinc/26/95/00/385269500.db2.gz AMHPMUMGIODGGG-SECBINFHSA-N 1 1 220.320 0.822 40 0 BCABMO CCCCN(CC)C(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000157452083 385323183 /nfs/dbraw/zinc/32/31/83/385323183.db2.gz FCGNXSBRUAEWKR-GFCCVEGCSA-N 1 1 242.363 0.949 40 0 BCABMO Cc1ncc(O)c(N2CC[NH+](C)CC2)n1 ZINC000396174362 385330218 /nfs/dbraw/zinc/33/02/18/385330218.db2.gz FCZWWQCZPAMPCZ-UHFFFAOYSA-N 1 1 208.265 0.242 40 0 BCABMO CCC[N@H+]1CC[C@@H](Cn2cc(CO)nn2)C1 ZINC000409424542 385331875 /nfs/dbraw/zinc/33/18/75/385331875.db2.gz GUEQMKZVCUAYIB-SNVBAGLBSA-N 1 1 224.308 0.502 40 0 BCABMO O=C([C@@H]1CCC[N@H+]1C[C@@H]1CO1)N1CCCC1 ZINC000095097832 385450279 /nfs/dbraw/zinc/45/02/79/385450279.db2.gz MATLRTAMGIUQCF-MNOVXSKESA-N 1 1 224.304 0.472 40 0 BCABMO Cn1nccc1CNCC[NH+]1CCCC1 ZINC000036901197 385589821 /nfs/dbraw/zinc/58/98/21/385589821.db2.gz AULAPLQDRYMLMW-UHFFFAOYSA-N 1 1 208.309 0.606 40 0 BCABMO C[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH2+]C1CC1 ZINC000036950334 385591217 /nfs/dbraw/zinc/59/12/17/385591217.db2.gz BLPDWCVUTIIFNM-ZYHUDNBSSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@@H]1CCCCN1C[C@H](O)C[NH2+]C1CC1 ZINC000036950334 385591219 /nfs/dbraw/zinc/59/12/19/385591219.db2.gz BLPDWCVUTIIFNM-ZYHUDNBSSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@@H]1CCCC[N@@H+]1C[C@H](O)CNC1CC1 ZINC000036950334 385591221 /nfs/dbraw/zinc/59/12/21/385591221.db2.gz BLPDWCVUTIIFNM-ZYHUDNBSSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@@H]1CCCC[N@H+]1C[C@H](O)CNC1CC1 ZINC000036950334 385591223 /nfs/dbraw/zinc/59/12/23/385591223.db2.gz BLPDWCVUTIIFNM-ZYHUDNBSSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@H]1CCCC[N@H+]1C[C@H](O)C[NH2+]C1CC1 ZINC000036950335 385592255 /nfs/dbraw/zinc/59/22/55/385592255.db2.gz BLPDWCVUTIIFNM-CMPLNLGQSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@H]1CCCCN1C[C@H](O)C[NH2+]C1CC1 ZINC000036950335 385592260 /nfs/dbraw/zinc/59/22/60/385592260.db2.gz BLPDWCVUTIIFNM-CMPLNLGQSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@H]1CCCC[N@@H+]1C[C@H](O)CNC1CC1 ZINC000036950335 385592265 /nfs/dbraw/zinc/59/22/65/385592265.db2.gz BLPDWCVUTIIFNM-CMPLNLGQSA-N 1 1 212.337 0.974 40 0 BCABMO C[C@H]1CCCC[N@H+]1C[C@H](O)CNC1CC1 ZINC000036950335 385592269 /nfs/dbraw/zinc/59/22/69/385592269.db2.gz BLPDWCVUTIIFNM-CMPLNLGQSA-N 1 1 212.337 0.974 40 0 BCABMO CO[C@H]1CC[N@@H+](CCO)C[C@@]12CCCO2 ZINC000257284532 385762587 /nfs/dbraw/zinc/76/25/87/385762587.db2.gz PDBDPMOJZAQBPM-QWRGUYRKSA-N 1 1 215.293 0.249 40 0 BCABMO CCC[C@H](C(=O)OC)N1CC[NH+](C)CC1 ZINC000022538705 385920121 /nfs/dbraw/zinc/92/01/21/385920121.db2.gz HEVBNYCCYJGJQP-SNVBAGLBSA-N 1 1 214.309 0.576 40 0 BCABMO CN1C(=O)CO[C@H]2C[N@@H+](C3CCC3)C[C@H]21 ZINC000067897244 387427010 /nfs/dbraw/zinc/42/70/10/387427010.db2.gz BZBZAGXOYORGQY-ZJUUUORDSA-N 1 1 210.277 0.080 40 0 biogenic,in-vitro BCABMO C[N@@H+]1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 ZINC000077266596 387451794 /nfs/dbraw/zinc/45/17/94/387451794.db2.gz RZKZLUGRYPGMEX-GFCCVEGCSA-N 1 1 246.314 0.633 40 0 biogenic,in-vitro BCABMO C[N@H+]1CCN2C(=O)N(Cc3ccccn3)C[C@H]2C1 ZINC000077266596 387451797 /nfs/dbraw/zinc/45/17/97/387451797.db2.gz RZKZLUGRYPGMEX-GFCCVEGCSA-N 1 1 246.314 0.633 40 0 biogenic,in-vitro BCABMO CS(=O)(=O)C[C@@H]([NH3+])c1ccccc1F ZINC000052898378 387499026 /nfs/dbraw/zinc/49/90/26/387499026.db2.gz ZYVJPJRBSTURHP-SECBINFHSA-N 1 1 217.265 0.870 40 0 BCABMO Cn1nccc1C[NH2+]Cc1ccnn1C ZINC000020349930 387850083 /nfs/dbraw/zinc/85/00/83/387850083.db2.gz XTPAYHUEJFDYOK-UHFFFAOYSA-N 1 1 205.265 0.443 40 0 BCABMO CCCCN(CC)C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000152117583 387881568 /nfs/dbraw/zinc/88/15/68/387881568.db2.gz DLBCGBOOGFNBNC-NSHDSACASA-N 1 1 228.336 0.702 40 0 BCABMO N[C@H]1CCCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000218852709 388392824 /nfs/dbraw/zinc/39/28/24/388392824.db2.gz MUMDWSBDNNTCKK-RYUDHWBXSA-N 1 1 227.352 0.178 40 0 BCABMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@H](O)C[C@@H]2C1 ZINC000066309371 388614892 /nfs/dbraw/zinc/61/48/92/388614892.db2.gz SZLUJRHLIZAWGS-NXEZZACHSA-N 1 1 242.319 0.672 40 0 BCABMO Cc1nc(N2CC[NH+](C)CC2)nc(C)c1N ZINC000077332592 388615336 /nfs/dbraw/zinc/61/53/36/388615336.db2.gz MHHZPZMHAPOYBY-UHFFFAOYSA-N 1 1 221.308 0.427 40 0 BCABMO COC[C@@H]1CN(c2cnccn2)CC[N@@H+](C)C1 ZINC000248025500 388672217 /nfs/dbraw/zinc/67/22/17/388672217.db2.gz JNEPQZRALDTSKB-NSHDSACASA-N 1 1 236.319 0.491 40 0 BCABMO COc1ccc([C@H]([NH3+])c2ncn(C)n2)cc1OC ZINC000095533921 388777282 /nfs/dbraw/zinc/77/72/82/388777282.db2.gz JLTFTRIZQFODGR-NSHDSACASA-N 1 1 248.286 0.880 40 0 BCABMO C[N@H+]1C[C@@H](C(N)=O)[C@@H](c2ccc(N)cc2)C1 ZINC000225607718 388839310 /nfs/dbraw/zinc/83/93/10/388839310.db2.gz YCCOQNRQQQVWEX-GHMZBOCLSA-N 1 1 219.288 0.399 40 0 BCABMO c1cc2c(ccnc2N2CC[NH2+]CC2)[nH]1 ZINC000045328768 132298533 /nfs/dbraw/zinc/29/85/33/132298533.db2.gz OLFWGDMDZCFCPV-UHFFFAOYSA-N 1 1 202.261 0.973 40 0 BCABMO COC(=O)c1ccc(N2CC[NH+](C)CC2)nc1C ZINC000072224638 132231759 /nfs/dbraw/zinc/23/17/59/132231759.db2.gz XAGQOAJRSRSHAY-UHFFFAOYSA-N 1 1 249.314 0.928 40 0 BCABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000078763695 135150634 /nfs/dbraw/zinc/15/06/34/135150634.db2.gz XGURGGAKQXRKCD-GHMZBOCLSA-N 1 1 226.320 0.454 40 0 BCABMO CCC(=O)NCCC[NH+]1CCOCC1 ZINC000020356074 168229114 /nfs/dbraw/zinc/22/91/14/168229114.db2.gz JNGTWPACRIREBK-UHFFFAOYSA-N 1 1 200.282 0.235 40 0 BCABMO CC[N@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253050 170041153 /nfs/dbraw/zinc/04/11/53/170041153.db2.gz JQSJBXSNDGHNHA-GRYCIOLGSA-N 1 1 238.331 0.622 40 0 BCABMO CC[C@H](C(=O)OC)N1CC[NH+](C)CC1 ZINC000022123239 171240700 /nfs/dbraw/zinc/24/07/00/171240700.db2.gz OTALGWKEWZWDNL-SECBINFHSA-N 1 1 200.282 0.185 40 0 BCABMO CC[C@H](C)NC(=S)N1CC[NH+](C)CC1 ZINC000004216785 171338269 /nfs/dbraw/zinc/33/82/69/171338269.db2.gz QZQNRMZIERUORP-VIFPVBQESA-N 1 1 215.366 0.907 40 0 BCABMO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000072379698 172384967 /nfs/dbraw/zinc/38/49/67/172384967.db2.gz BLAXAMYYSLMSFC-SNVBAGLBSA-N 1 1 236.319 0.330 40 0 BCABMO CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000072379698 172384970 /nfs/dbraw/zinc/38/49/70/172384970.db2.gz BLAXAMYYSLMSFC-SNVBAGLBSA-N 1 1 236.319 0.330 40 0 BCABMO CN(C)C(=O)[C@H]1CC[N@H+](Cc2nccn2C)C1 ZINC000072379697 172386452 /nfs/dbraw/zinc/38/64/52/172386452.db2.gz BLAXAMYYSLMSFC-JTQLQIEISA-N 1 1 236.319 0.330 40 0 BCABMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2nccn2C)C1 ZINC000072379697 172386454 /nfs/dbraw/zinc/38/64/54/172386454.db2.gz BLAXAMYYSLMSFC-JTQLQIEISA-N 1 1 236.319 0.330 40 0 BCABMO C[N@H+]1CCCN(c2ccc(N)cn2)CC1 ZINC000020217460 173018755 /nfs/dbraw/zinc/01/87/55/173018755.db2.gz YYWHTZQHQXNZLD-UHFFFAOYSA-N 1 1 206.293 0.806 40 0 BCABMO C[N@H+]1CCC[C@@H](c2cccc(C(N)=O)n2)C1 ZINC000072381202 173023394 /nfs/dbraw/zinc/02/33/94/173023394.db2.gz QEDSRKMWEFSOSX-SECBINFHSA-N 1 1 219.288 0.990 40 0 BCABMO C[NH+]1CCN([C@H](CO)Cc2ccccc2)CC1 ZINC000019366339 173095221 /nfs/dbraw/zinc/09/52/21/173095221.db2.gz KAFRFBDJOILROW-AWEZNQCLSA-N 1 1 234.343 0.837 40 0 BCABMO C[N@@H+]1CCc2c(sc3[nH]c(=O)[nH]c(=O)c23)C1 ZINC000070451593 173169437 /nfs/dbraw/zinc/16/94/37/173169437.db2.gz GWMRPGQVVZMMLO-UHFFFAOYSA-N 1 1 237.284 0.266 40 0 BCABMO C[N@H+]1CCc2c(sc3[nH]c(=O)[nH]c(=O)c23)C1 ZINC000070451593 173169439 /nfs/dbraw/zinc/16/94/39/173169439.db2.gz GWMRPGQVVZMMLO-UHFFFAOYSA-N 1 1 237.284 0.266 40 0 BCABMO CN1C[C@H](Cc2ccccc2)[NH2+]CC1=O ZINC000035270173 173192682 /nfs/dbraw/zinc/19/26/82/173192682.db2.gz AKDJPULYWQWHOS-NSHDSACASA-N 1 1 204.273 0.659 40 0 BCABMO C[N@H+]1C[C@H]2C[C@H](C(=O)N3CCCC3)[C@@H](C1)O2 ZINC000096253202 173199828 /nfs/dbraw/zinc/19/98/28/173199828.db2.gz LPVLGXYPOZEOOH-OUAUKWLOSA-N 1 1 224.304 0.328 40 0 BCABMO CNC(=O)C[N@H+]1CC[C@@]2(CCCO2)[C@@H](OC)C1 ZINC000257274322 173275098 /nfs/dbraw/zinc/27/50/98/173275098.db2.gz NKMBVDAXZDUIFG-JQWIXIFHSA-N 1 1 242.319 0.002 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000072343369 173308128 /nfs/dbraw/zinc/30/81/28/173308128.db2.gz AAMKNTZLEQBOHU-GFCCVEGCSA-N 1 1 233.315 0.206 40 0 BCABMO CNC(=O)[C@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000072343369 173308129 /nfs/dbraw/zinc/30/81/29/173308129.db2.gz AAMKNTZLEQBOHU-GFCCVEGCSA-N 1 1 233.315 0.206 40 0 BCABMO CNC(=O)c1cc(C[C@H]2CCC[N@@H+](C)C2)ncn1 ZINC000257324415 173309691 /nfs/dbraw/zinc/30/96/91/173309691.db2.gz WOOWMQRJFOWBPB-SNVBAGLBSA-N 1 1 248.330 0.721 40 0 BCABMO COc1cc2c(cc1OC)[C@@H](C(N)=O)[NH2+]CC2 ZINC000061961017 175024928 /nfs/dbraw/zinc/02/49/28/175024928.db2.gz OHQJSXSSCLRLJC-NSHDSACASA-N 1 1 236.271 0.376 40 0 BCABMO C[C@@H]1CN(S(=O)(=O)c2cccs2)CC[NH2+]1 ZINC000062621872 176314263 /nfs/dbraw/zinc/31/42/63/176314263.db2.gz JOIBOXBEEZDBJD-MRVPVSSYSA-N 1 1 246.357 0.731 40 0 BCABMO CCN(CC)CC[NH2+]Cc1cnn(C)c1 ZINC000020075146 520687977 /nfs/dbraw/zinc/68/79/77/520687977.db2.gz QQKBKQQKRBKVRK-UHFFFAOYSA-N 1 1 210.325 0.852 40 0 BCABMO Cc1nc(N(C)C)cc(N2CCC[NH2+]CC2)n1 ZINC000259076220 643382144 /nfs/dbraw/zinc/38/21/44/643382144.db2.gz XRYSHMQZYKFUDD-UHFFFAOYSA-N 1 1 235.335 0.651 40 0 BCABMO CC[N@@H+]1CCC[C@H]1c1n[nH]cc1C(=O)NC ZINC000072366131 343980066 /nfs/dbraw/zinc/98/00/66/343980066.db2.gz WZMSSMPNHCDGSB-VIFPVBQESA-N 1 1 222.292 0.926 40 0 BCABMO CC[N@H+]1CCC[C@H]1c1n[nH]cc1C(=O)NC ZINC000072366131 343980067 /nfs/dbraw/zinc/98/00/67/343980067.db2.gz WZMSSMPNHCDGSB-VIFPVBQESA-N 1 1 222.292 0.926 40 0 BCABMO Cc1cc(=O)[nH]c([C@@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072356874 178203062 /nfs/dbraw/zinc/20/30/62/178203062.db2.gz XCRJZTWRLDPHRJ-SNVBAGLBSA-N 1 1 237.303 0.662 40 0 BCABMO C[NH+](C)[C@H]1[C@H]2[C@H](CS2(=O)=O)C1(C)C ZINC000004973142 342755298 /nfs/dbraw/zinc/75/52/98/342755298.db2.gz VHRSZSAZGRYGHC-RNJXMRFFSA-N 1 1 203.307 0.370 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](O)C2)C1 ZINC000259007162 342821422 /nfs/dbraw/zinc/82/14/22/342821422.db2.gz HOBPYVULGBQAIM-QWRGUYRKSA-N 1 1 226.320 0.312 40 0 BCABMO Cn1ccnc1C[NH+]1CCC2(CCNC2=O)CC1 ZINC000096062911 398312604 /nfs/dbraw/zinc/31/26/04/398312604.db2.gz HDQFFQIQELDITD-UHFFFAOYSA-N 1 1 248.330 0.522 40 0 BCABMO N[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCOCC1 ZINC000218852645 398328922 /nfs/dbraw/zinc/32/89/22/398328922.db2.gz MUMDWSBDNNTCKK-NEPJUHHUSA-N 1 1 227.352 0.178 40 0 BCABMO C[C@H]1C[NH2+]Cc2nnc(C(F)(F)F)n21 ZINC000040434616 343403057 /nfs/dbraw/zinc/40/30/57/343403057.db2.gz NRTQEVNRFKHHCG-BYPYZUCNSA-N 1 1 206.171 0.961 40 0 BCABMO CC(=O)N1CCC[C@@H]1C[N@@H+](CCN)C(C)C ZINC000079422752 187262769 /nfs/dbraw/zinc/26/27/69/187262769.db2.gz QLGRTTVQBLFSHV-GFCCVEGCSA-N 1 1 227.352 0.666 40 0 BCABMO CC(=O)N1CCC[C@@H]1C[N@H+](CCN)C(C)C ZINC000079422752 187262771 /nfs/dbraw/zinc/26/27/71/187262771.db2.gz QLGRTTVQBLFSHV-GFCCVEGCSA-N 1 1 227.352 0.666 40 0 BCABMO CO[C@H]1C[NH2+][C@H](c2nc3nccnc3c(=O)[nH]2)C1 ZINC000253536060 349853373 /nfs/dbraw/zinc/85/33/73/349853373.db2.gz FZPFWDQDIAOQCB-RQJHMYQMSA-N 1 1 247.258 0.175 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccccc1OC ZINC000096526106 343759797 /nfs/dbraw/zinc/75/97/97/343759797.db2.gz YAEOYMFZXMWRBA-MNOVXSKESA-N 1 1 220.272 0.926 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1cccc(OC)c1 ZINC000096526014 343759980 /nfs/dbraw/zinc/75/99/80/343759980.db2.gz OLWCOHJZPIYRCQ-MNOVXSKESA-N 1 1 220.272 0.926 40 0 BCABMO CCCCNC(=O)CN1CCC(C[NH3+])CC1 ZINC000049280635 343781719 /nfs/dbraw/zinc/78/17/19/343781719.db2.gz PTHRHOSRZUTDIR-UHFFFAOYSA-N 1 1 227.352 0.573 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000047916259 343781908 /nfs/dbraw/zinc/78/19/08/343781908.db2.gz IUKZTYAGGXYDIJ-GFCCVEGCSA-N 1 1 242.363 0.853 40 0 BCABMO Nc1cc(N2CCC[C@@H](O)C2)[nH+]c(C2CC2)n1 ZINC000126982214 343787217 /nfs/dbraw/zinc/78/72/17/343787217.db2.gz RTGGTKMMFFDFSX-SECBINFHSA-N 1 1 234.303 0.897 40 0 BCABMO CO[C@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1OC ZINC000234858909 343794756 /nfs/dbraw/zinc/79/47/56/343794756.db2.gz NRZHAVVKESUNCN-UWVGGRQHSA-N 1 1 223.276 0.514 40 0 BCABMO CCCC[N@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422898 343814295 /nfs/dbraw/zinc/81/42/95/343814295.db2.gz LZWGYLDPMNNKHF-ZJUUUORDSA-N 1 1 215.293 0.642 40 0 BCABMO COCCn1cc(-c2noc(C[NH3+])n2)cn1 ZINC000409424267 343817266 /nfs/dbraw/zinc/81/72/66/343817266.db2.gz UDCWTORXBUMYIE-UHFFFAOYSA-N 1 1 223.236 0.038 40 0 BCABMO O=Cc1cn(C[C@@H]2CCC[N@H+]2CC2CC2)nn1 ZINC000409424184 343817385 /nfs/dbraw/zinc/81/73/85/343817385.db2.gz FMVYCWDCMAWCRB-LBPRGKRZSA-N 1 1 234.303 0.965 40 0 BCABMO CC[N@H+]1CCC[C@H]1Cn1cc(CO)nn1 ZINC000409425345 343819297 /nfs/dbraw/zinc/81/92/97/343819297.db2.gz KYSMJTAQXHLFBV-JTQLQIEISA-N 1 1 210.281 0.255 40 0 BCABMO C[C@H]1CN(c2ccc(N)c[nH+]2)C[C@H]1CO ZINC000409426134 343821435 /nfs/dbraw/zinc/82/14/35/343821435.db2.gz HNYMMANAGANPPE-IUCAKERBSA-N 1 1 207.277 0.728 40 0 BCABMO OCc1cn(C[C@@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409426319 343822482 /nfs/dbraw/zinc/82/24/82/343822482.db2.gz PYBQWJHEBVJJJQ-SNVBAGLBSA-N 1 1 236.319 0.645 40 0 BCABMO C[C@H]1CN(c2[nH+]cccc2N)C[C@H]1CO ZINC000409429097 343804743 /nfs/dbraw/zinc/80/47/43/343804743.db2.gz NUIYQZNGUHTAGC-IUCAKERBSA-N 1 1 207.277 0.728 40 0 BCABMO OCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](CO)C1 ZINC000409429577 343806164 /nfs/dbraw/zinc/80/61/64/343806164.db2.gz HPQIYYCQJAJIKK-STQMWFEESA-N 1 1 221.300 0.687 40 0 BCABMO [NH3+]CCCN1CCC2(CC1)C[C@@H](O)CCO2 ZINC000409429672 343806238 /nfs/dbraw/zinc/80/62/38/343806238.db2.gz PCPHYRSXUVYRFY-NSHDSACASA-N 1 1 228.336 0.341 40 0 BCABMO CCO[C@H]1CN(CCC[NH3+])C[C@@H]1OC ZINC000409436471 343838151 /nfs/dbraw/zinc/83/81/51/343838151.db2.gz ZZAAKRVVPNQTOU-UWVGGRQHSA-N 1 1 202.298 0.071 40 0 BCABMO C1C[C@H](N2CC[NH2+]CC2)[C@@H](N2CCOCC2)C1 ZINC000409441577 343859936 /nfs/dbraw/zinc/85/99/36/343859936.db2.gz PUOWATBWXSBAFM-STQMWFEESA-N 1 1 239.363 0.145 40 0 BCABMO CC[NH+](CC)CCOc1nccnc1CN ZINC000054378721 259372502 /nfs/dbraw/zinc/37/25/02/259372502.db2.gz RYEIPAIVCYYKBY-UHFFFAOYSA-N 1 1 224.308 0.656 40 0 BCABMO COCC[N@H+]1CCC[C@]2(CN(C(C)C)C2=O)C1 ZINC000585099403 344131709 /nfs/dbraw/zinc/13/17/09/344131709.db2.gz IKRSDDIOBOSDGS-CYBMUJFWSA-N 1 1 240.347 0.966 40 0 BCABMO CNC(=O)C[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000585111698 344136528 /nfs/dbraw/zinc/13/65/28/344136528.db2.gz FVYQMOAAHSHSRH-LBPRGKRZSA-N 1 1 248.330 0.928 40 0 BCABMO CNC(=O)C[C@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000585111698 344136529 /nfs/dbraw/zinc/13/65/29/344136529.db2.gz FVYQMOAAHSHSRH-LBPRGKRZSA-N 1 1 248.330 0.928 40 0 BCABMO O=C(CO)OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000247751758 344323801 /nfs/dbraw/zinc/32/38/01/344323801.db2.gz WIHLNPZFQPHKLF-WDEREUQCSA-N 1 1 227.304 0.786 40 0 BCABMO CC(C)CNC(=O)[C@H]1C[C@@H]2C[N@@H+](C)C[C@H]1O2 ZINC000096252958 344371207 /nfs/dbraw/zinc/37/12/07/344371207.db2.gz ILBSDRXEMZKUCH-OUAUKWLOSA-N 1 1 226.320 0.478 40 0 BCABMO Cc1nc(NC2CC2)cc(N2CC[NH2+]CC2)n1 ZINC000258858619 345786116 /nfs/dbraw/zinc/78/61/16/345786116.db2.gz BXQZBJTYPIRQMG-UHFFFAOYSA-N 1 1 233.319 0.769 40 0 BCABMO COCCNc1cc(N)nc(C2CC2)[nH+]1 ZINC000087908925 345940365 /nfs/dbraw/zinc/94/03/65/345940365.db2.gz RJBYVDGTQDKQOE-UHFFFAOYSA-N 1 1 208.265 0.995 40 0 BCABMO COc1c[nH]c(CN2CC[NH+](C)CC2)cc1=O ZINC000026423566 347602453 /nfs/dbraw/zinc/60/24/53/347602453.db2.gz XVMNDQZURGZATP-UHFFFAOYSA-N 1 1 237.303 0.131 40 0 BCABMO COC(=O)[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000022123379 350084541 /nfs/dbraw/zinc/08/45/41/350084541.db2.gz FUJQUJRDSNKGJG-JTQLQIEISA-N 1 1 214.309 0.431 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](CO)C1)NC1CCCC1 ZINC000051886613 191113618 /nfs/dbraw/zinc/11/36/18/191113618.db2.gz ALRBITRJOWIESZ-JTQLQIEISA-N 1 1 226.320 0.359 40 0 BCABMO CC(C)[C@H]([NH3+])C(=O)N[C@H]1CCCN(C)C1 ZINC000040673622 363145469 /nfs/dbraw/zinc/14/54/69/363145469.db2.gz BEZIYXRYOQMVKT-UWVGGRQHSA-N 1 1 213.325 0.180 40 0 BCABMO CC(=O)NC1CCC([N@@H+](CCN)C2CC2)CC1 ZINC000079405781 188291635 /nfs/dbraw/zinc/29/16/35/188291635.db2.gz BVKVZOAJTAUANY-UHFFFAOYSA-N 1 1 239.363 0.857 40 0 BCABMO CC(=O)NC1CCC(N(CC[NH3+])C2CC2)CC1 ZINC000079405781 188291637 /nfs/dbraw/zinc/29/16/37/188291637.db2.gz BVKVZOAJTAUANY-UHFFFAOYSA-N 1 1 239.363 0.857 40 0 BCABMO CC(C)N(C(=O)CN)[C@H]1CCC[N@H+](C)C1 ZINC000079406959 188291686 /nfs/dbraw/zinc/29/16/86/188291686.db2.gz ITEHCPSXNOLCGE-JTQLQIEISA-N 1 1 213.325 0.276 40 0 BCABMO CC(C)N(C(=O)CN)[C@H]1CCC[N@@H+](C)C1 ZINC000079406959 188291687 /nfs/dbraw/zinc/29/16/87/188291687.db2.gz ITEHCPSXNOLCGE-JTQLQIEISA-N 1 1 213.325 0.276 40 0 BCABMO CC(=O)N1CCC[C@@H]([N@H+](CCO)C(C)C)C1 ZINC000079405409 188291693 /nfs/dbraw/zinc/29/16/93/188291693.db2.gz NPUXDOGSHXCBLB-GFCCVEGCSA-N 1 1 228.336 0.700 40 0 BCABMO CC(=O)N[C@H]1CCCC[C@@H]1[N@@H+](CCO)C1CC1 ZINC000079405533 188292278 /nfs/dbraw/zinc/29/22/78/188292278.db2.gz YRWHMDNLGJCEFG-STQMWFEESA-N 1 1 240.347 0.890 40 0 BCABMO CC(C)[N@@H+](C)C[C@H]1CCN(CCO)C1 ZINC000079418482 188292353 /nfs/dbraw/zinc/29/23/53/188292353.db2.gz QKWWEANSYDPMCM-LLVKDONJSA-N 1 1 200.326 0.641 40 0 BCABMO CC(C)[N@H+](CC(=O)[O-])C[C@H]1CC[NH+](C)C1 ZINC000083318573 188295646 /nfs/dbraw/zinc/29/56/46/188295646.db2.gz NXUJHNBZHLKZLJ-JTQLQIEISA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[NH+](CC(=O)[O-])C[C@H]1CC[N@H+](C)C1 ZINC000083318573 188295647 /nfs/dbraw/zinc/29/56/47/188295647.db2.gz NXUJHNBZHLKZLJ-JTQLQIEISA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[NH+](CC(=O)[O-])C[C@H]1CC[N@@H+](C)C1 ZINC000083318573 188295649 /nfs/dbraw/zinc/29/56/49/188295649.db2.gz NXUJHNBZHLKZLJ-JTQLQIEISA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[C@H]([NH3+])c1nnc(Cn2cccn2)[nH]1 ZINC000095534746 188320413 /nfs/dbraw/zinc/32/04/13/188320413.db2.gz NFMCFSVOICYWRD-VIFPVBQESA-N 1 1 220.280 0.705 40 0 BCABMO NC(=O)[C@]1(N)CC[N@@H+](Cc2ccccc2)C1 ZINC000037870584 181284762 /nfs/dbraw/zinc/28/47/62/181284762.db2.gz UWRFQTAIEVIVDY-LBPRGKRZSA-N 1 1 219.288 0.075 40 0 BCABMO C[NH+](C)Cc1cc(N)n(-c2ccccn2)n1 ZINC000026512271 357164069 /nfs/dbraw/zinc/16/40/69/357164069.db2.gz NGHUOHCMLSPJNM-UHFFFAOYSA-N 1 1 217.276 0.911 40 0 BCABMO COC(=O)/C=C(/C(=O)OC)n1cc[nH+]c1C ZINC000005322835 357277522 /nfs/dbraw/zinc/27/75/22/357277522.db2.gz QSUOWWKJVOOKQT-VURMDHGXSA-N 1 1 224.216 0.378 40 0 BCABMO [NH3+]CCC(=O)N1CCNC[C@@H]1c1ccccc1 ZINC000169809360 181367075 /nfs/dbraw/zinc/36/70/75/181367075.db2.gz JYHAEERNQQKMSO-GFCCVEGCSA-N 1 1 233.315 0.508 40 0 BCABMO C[C@@]1(c2cc[nH]n2)CCC[N@@H+](CCO)C1 ZINC000205701845 368359719 /nfs/dbraw/zinc/35/97/19/368359719.db2.gz PZEYXRPYSFHTNH-LLVKDONJSA-N 1 1 209.293 0.756 40 0 BCABMO CCOC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000033793270 170245013 /nfs/dbraw/zinc/24/50/13/170245013.db2.gz NKNSHDCCJHFHLR-VIFPVBQESA-N 1 1 201.266 0.518 40 0 BCABMO OCC[N@@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 ZINC000072356863 183072178 /nfs/dbraw/zinc/07/21/78/183072178.db2.gz MKSQCQSQIRDXMJ-LLVKDONJSA-N 1 1 225.292 0.421 40 0 BCABMO OCC[N@H+]1CCCC[C@@H]1c1cc(CO)n[nH]1 ZINC000072356863 183072179 /nfs/dbraw/zinc/07/21/79/183072179.db2.gz MKSQCQSQIRDXMJ-LLVKDONJSA-N 1 1 225.292 0.421 40 0 BCABMO O[C@@H]1CCC[C@H]2C[N@H+]([C@@H]3CCOC3)C[C@H]21 ZINC000096081856 183197645 /nfs/dbraw/zinc/19/76/45/183197645.db2.gz RZWNLQCBKAWVHP-IRCOFANPSA-N 1 1 211.305 0.868 40 0 BCABMO CCC[N@H+]1CCC2=NC(NC#N)=NC(=O)C2C1 ZINC000049474138 169209070 /nfs/dbraw/zinc/20/90/70/169209070.db2.gz IHFDSUSIUXPMCB-UHFFFAOYSA-N 1 1 233.275 0.843 40 0 BCABMO CC[N@@H+](CCO)C1CCC(NC(C)=O)CC1 ZINC000079405375 384134447 /nfs/dbraw/zinc/13/44/47/384134447.db2.gz MJQGGMVCRKOAPE-UHFFFAOYSA-N 1 1 228.336 0.748 40 0 BCABMO CC(C)[N@@H+](CCO)C[C@H]1CCCN1C ZINC000079406021 384135792 /nfs/dbraw/zinc/13/57/92/384135792.db2.gz FPNFDPOLJJMCHI-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(CCO)C[C@H]1CCC[N@@H+]1C ZINC000079406021 384135795 /nfs/dbraw/zinc/13/57/95/384135795.db2.gz FPNFDPOLJJMCHI-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(CCO)C[C@H]1CCC[N@H+]1C ZINC000079406021 384135798 /nfs/dbraw/zinc/13/57/98/384135798.db2.gz FPNFDPOLJJMCHI-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)[N@@H+](CCO)C[C@@H]1CCN(C)C1 ZINC000079406027 384135803 /nfs/dbraw/zinc/13/58/03/384135803.db2.gz JOVVPVUGQBVIET-LLVKDONJSA-N 1 1 200.326 0.641 40 0 BCABMO CC[N@@H+](CCO)C[C@@H]1CCCCN1C ZINC000079405958 384136147 /nfs/dbraw/zinc/13/61/47/384136147.db2.gz PMQRPAODCFDSHA-NSHDSACASA-N 1 1 200.326 0.785 40 0 BCABMO CCN(CCO)C[C@@H]1CCCC[N@@H+]1C ZINC000079405958 384136151 /nfs/dbraw/zinc/13/61/51/384136151.db2.gz PMQRPAODCFDSHA-NSHDSACASA-N 1 1 200.326 0.785 40 0 BCABMO CCN(CCO)C[C@@H]1CCCC[N@H+]1C ZINC000079405958 384136154 /nfs/dbraw/zinc/13/61/54/384136154.db2.gz PMQRPAODCFDSHA-NSHDSACASA-N 1 1 200.326 0.785 40 0 BCABMO CC[N@@H+](CCN)CC1CCN(C(C)=O)CC1 ZINC000079422715 384146812 /nfs/dbraw/zinc/14/68/12/384146812.db2.gz PHKGHYBLSSKCKE-UHFFFAOYSA-N 1 1 227.352 0.526 40 0 BCABMO CCN(CC[NH3+])CC1CCN(C(C)=O)CC1 ZINC000079422715 384146813 /nfs/dbraw/zinc/14/68/13/384146813.db2.gz PHKGHYBLSSKCKE-UHFFFAOYSA-N 1 1 227.352 0.526 40 0 BCABMO CCOC(=O)[C@@H](CN)C(C)(C)[NH+](C)C ZINC000072210404 384153118 /nfs/dbraw/zinc/15/31/18/384153118.db2.gz BRKZOWNHUFOYFC-MRVPVSSYSA-N 1 1 202.298 0.465 40 0 BCABMO CC(C)([C@@H](CN)CO)[NH+]1CCCCC1 ZINC000072210344 384154725 /nfs/dbraw/zinc/15/47/25/384154725.db2.gz RHTCFBCBXOIKFX-JTQLQIEISA-N 1 1 200.326 0.818 40 0 BCABMO CCN(C(C)=O)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079416439 384140323 /nfs/dbraw/zinc/14/03/23/384140323.db2.gz DSMLALHSXRRYRT-LLVKDONJSA-N 1 1 214.309 0.312 40 0 BCABMO CNc1nccnc1C1CC[NH+](CC(N)=O)CC1 ZINC000072361135 384212660 /nfs/dbraw/zinc/21/26/60/384212660.db2.gz PNMBVOPIMKEYFZ-UHFFFAOYSA-N 1 1 249.318 0.183 40 0 BCABMO COC(=O)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000026896612 384415510 /nfs/dbraw/zinc/41/55/10/384415510.db2.gz KVPXVSDIYOYVKS-JTQLQIEISA-N 1 1 226.320 0.623 40 0 BCABMO COC[C@H]1C[N@@H+](CC2CC2)Cc2nnn(C)c21 ZINC000096060638 384431684 /nfs/dbraw/zinc/43/16/84/384431684.db2.gz VOMQADFMNFKVFA-SNVBAGLBSA-N 1 1 236.319 0.771 40 0 BCABMO C[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](C)C2CC2)C1 ZINC000079419495 384495823 /nfs/dbraw/zinc/49/58/23/384495823.db2.gz BXZYKXSUWWNZEA-GXSJLCMTSA-N 1 1 225.336 0.419 40 0 BCABMO CCN(C(C)=O)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079416442 384496742 /nfs/dbraw/zinc/49/67/42/384496742.db2.gz DSMLALHSXRRYRT-NSHDSACASA-N 1 1 214.309 0.312 40 0 BCABMO [NH3+][C@H]1CCN(Cc2cc(C3CC3)[nH]n2)C1 ZINC000096523517 385268601 /nfs/dbraw/zinc/26/86/01/385268601.db2.gz JRQPRKIUYFCDNL-VIFPVBQESA-N 1 1 206.293 0.820 40 0 BCABMO CS(=O)(=O)[C@@H](CO)[C@H]([NH3+])c1ccccc1F ZINC000096525082 385278306 /nfs/dbraw/zinc/27/83/06/385278306.db2.gz KAWJVXRESWLKML-VHSXEESVSA-N 1 1 247.291 0.231 40 0 BCABMO O=C([C@H]1CCC[N@H+]1C[C@@H]1CO1)N1CCCC1 ZINC000095097833 385450455 /nfs/dbraw/zinc/45/04/55/385450455.db2.gz MATLRTAMGIUQCF-GHMZBOCLSA-N 1 1 224.304 0.472 40 0 BCABMO O=C([C@H]1CCC[N@@H+](C[C@@H]2CO2)C1)N1CCCC1 ZINC000095097813 385454140 /nfs/dbraw/zinc/45/41/40/385454140.db2.gz XWPLFLQCOWOYEH-NWDGAFQWSA-N 1 1 238.331 0.720 40 0 BCABMO COC(=O)[C@H]1CC[C@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@H+]12 ZINC000216526324 385864422 /nfs/dbraw/zinc/86/44/22/385864422.db2.gz MQZINACZCKFGSR-VLEAKVRGSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@H]1CC[C@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@@H+]12 ZINC000216526324 385864425 /nfs/dbraw/zinc/86/44/25/385864425.db2.gz MQZINACZCKFGSR-VLEAKVRGSA-N 1 1 237.299 0.991 40 0 BCABMO CC(C)(C)OC(=O)[C@@H](N)C1CC(C[NH3+])C1 ZINC000575624467 386545212 /nfs/dbraw/zinc/54/52/12/386545212.db2.gz DNCNWRJXCUAEIO-HACHORDNSA-N 1 1 214.309 0.640 40 0 BCABMO Cc1c(O)c(=O)ccn1C[C@H]1CCC[N@@H+]1C ZINC000575410697 387013483 /nfs/dbraw/zinc/01/34/83/387013483.db2.gz AOYBGXPXTCJHMJ-SNVBAGLBSA-N 1 1 222.288 0.957 40 0 BCABMO CCn1cc(-c2noc([C@@H](C)[NH3+])n2)cn1 ZINC000575410734 387014747 /nfs/dbraw/zinc/01/47/47/387014747.db2.gz DGSDEPOXMZAQIO-ZCFIWIBFSA-N 1 1 207.237 0.973 40 0 BCABMO C([C@H]1CCCO1)n1nnc2c1CC[NH2+]C2 ZINC000085004556 387477895 /nfs/dbraw/zinc/47/78/95/387477895.db2.gz ISRIPYFMLDGSFC-MRVPVSSYSA-N 1 1 208.265 0.103 40 0 BCABMO C[N@H+]1CC[C@@H](O)[C@H](Cc2ccncc2)C1 ZINC000242538969 387684339 /nfs/dbraw/zinc/68/43/39/387684339.db2.gz JKERHQVRJCSDMC-VXGBXAGGSA-N 1 1 206.289 0.937 40 0 BCABMO CON(C)C(=O)[C@@H]1C[N@@H+](C)CC(C)(C)O1 ZINC000242581747 388399696 /nfs/dbraw/zinc/39/96/96/388399696.db2.gz OECGXHRSVPJELG-QMMMGPOBSA-N 1 1 216.281 0.115 40 0 BCABMO OCC[NH+]1CCN(c2ccnc(Cl)c2)CC1 ZINC000223586510 132291598 /nfs/dbraw/zinc/29/15/98/132291598.db2.gz GGHBYPCIQXVPHU-UHFFFAOYSA-N 1 1 241.722 0.849 40 0 BCABMO C[N@@H+](CC1(O)CCOCC1)[C@H]1CCCC[C@H]1O ZINC000249105059 135032814 /nfs/dbraw/zinc/03/28/14/135032814.db2.gz KZPHAXCVXFRJKN-NWDGAFQWSA-N 1 1 243.347 0.763 40 0 BCABMO CC(C)[N@@H+]1C[C@@H]2[C@H](C1)OCC(=O)N2CC1CC1 ZINC000067897121 167030395 /nfs/dbraw/zinc/03/03/95/167030395.db2.gz CTRVIHQZLPAKIO-NEPJUHHUSA-N 1 1 238.331 0.716 40 0 biogenic,in-vitro BCABMO CC(C)NC(=O)[C@@H]1C[NH2+]Cc2ccnn21 ZINC000248003579 167080744 /nfs/dbraw/zinc/08/07/44/167080744.db2.gz OQVMCGQQBWZOIK-VIFPVBQESA-N 1 1 208.265 0.052 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccccc1OC ZINC000096526102 169947609 /nfs/dbraw/zinc/94/76/09/169947609.db2.gz YAEOYMFZXMWRBA-QWRGUYRKSA-N 1 1 220.272 0.926 40 0 BCABMO CCN1C[C@@H]2C[N@H+](Cc3nccn3C)C[C@@H]2C1=O ZINC000096244949 170031744 /nfs/dbraw/zinc/03/17/44/170031744.db2.gz IKWXPNHESIPJTB-QWRGUYRKSA-N 1 1 248.330 0.330 40 0 BCABMO CCN1C[C@@H]2C[N@@H+](Cc3nccn3C)C[C@@H]2C1=O ZINC000096244949 170031746 /nfs/dbraw/zinc/03/17/46/170031746.db2.gz IKWXPNHESIPJTB-QWRGUYRKSA-N 1 1 248.330 0.330 40 0 BCABMO CCOC(=O)C1=C(N)S[C@H]2C[N@@H+](C)CC[C@@H]12 ZINC000035083501 170191308 /nfs/dbraw/zinc/19/13/08/170191308.db2.gz CLLWUMJBSCNBOM-SFYZADRCSA-N 1 1 242.344 0.787 40 0 BCABMO Cc1cc(NCC[NH3+])nc(N2CCCC2)n1 ZINC000409425800 411646188 /nfs/dbraw/zinc/64/61/88/411646188.db2.gz BOXFYDRAQPPFHD-UHFFFAOYSA-N 1 1 221.308 0.756 40 0 BCABMO CCOC(CNc1cc(N)nc(C)[nH+]1)OCC ZINC000409427914 411709602 /nfs/dbraw/zinc/70/96/02/411709602.db2.gz CXFQKASKNDLARA-UHFFFAOYSA-N 1 1 240.307 1.178 40 0 BCABMO CN(C(=O)OC(C)(C)C)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079407855 172325527 /nfs/dbraw/zinc/32/55/27/172325527.db2.gz GSAYLPAXDXBYGG-SNVBAGLBSA-N 1 1 244.335 0.920 40 0 BCABMO C[N@H+]1CCCC[C@@H]1CN(CCO)C1CC1 ZINC000079406123 173005777 /nfs/dbraw/zinc/00/57/77/173005777.db2.gz QFTNTAZVTSIJPJ-GFCCVEGCSA-N 1 1 212.337 0.927 40 0 BCABMO CN1CCCC[C@@H]1C[N@H+](CCO)C1CC1 ZINC000079406123 173005778 /nfs/dbraw/zinc/00/57/78/173005778.db2.gz QFTNTAZVTSIJPJ-GFCCVEGCSA-N 1 1 212.337 0.927 40 0 BCABMO CN1CCCC[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000079406123 173005781 /nfs/dbraw/zinc/00/57/81/173005781.db2.gz QFTNTAZVTSIJPJ-GFCCVEGCSA-N 1 1 212.337 0.927 40 0 BCABMO C[N@@H+]1CCC[C@H](N(C(=O)CN)C2CC2)C1 ZINC000079407034 173044707 /nfs/dbraw/zinc/04/47/07/173044707.db2.gz FOVDHTDXRIUBJD-JTQLQIEISA-N 1 1 211.309 0.030 40 0 BCABMO C[N@H+]1CCC[C@H](N(C(=O)CN)C2CC2)C1 ZINC000079407034 173044710 /nfs/dbraw/zinc/04/47/10/173044710.db2.gz FOVDHTDXRIUBJD-JTQLQIEISA-N 1 1 211.309 0.030 40 0 BCABMO C[N@@H+]1CCO[C@@](C)(C(=O)NCC2CC2)C1 ZINC000072379346 173104753 /nfs/dbraw/zinc/10/47/53/173104753.db2.gz SNUOEZTXMSMNFR-LLVKDONJSA-N 1 1 212.293 0.233 40 0 BCABMO C[N@H+]1CCO[C@@](C)(C(=O)NCC2CC2)C1 ZINC000072379346 173104757 /nfs/dbraw/zinc/10/47/57/173104757.db2.gz SNUOEZTXMSMNFR-LLVKDONJSA-N 1 1 212.293 0.233 40 0 BCABMO CN1c2ncccc2C[N@H+](C)CC[C@H]1CO ZINC000225492500 173116951 /nfs/dbraw/zinc/11/69/51/173116951.db2.gz RGKSNIZOGRYLFB-NSHDSACASA-N 1 1 221.304 0.714 40 0 biogenic,in-vitro BCABMO C[N@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000247721658 173139076 /nfs/dbraw/zinc/13/90/76/173139076.db2.gz BHDHXAFKJSXGOP-DGCLKSJQSA-N 1 1 238.331 0.720 40 0 BCABMO C[N@@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC000096259776 173175438 /nfs/dbraw/zinc/17/54/38/173175438.db2.gz KBNZYHTXPUJAQR-UHFFFAOYSA-N 1 1 218.260 0.907 40 0 BCABMO C[N@H+]1CCc2onc(Cn3cccn3)c2C1 ZINC000096259776 173175441 /nfs/dbraw/zinc/17/54/41/173175441.db2.gz KBNZYHTXPUJAQR-UHFFFAOYSA-N 1 1 218.260 0.907 40 0 BCABMO C[N@H+]1C[C@@H]2C[C@]2(NC(=O)c2ccco2)C1 ZINC000096248946 173190820 /nfs/dbraw/zinc/19/08/20/173190820.db2.gz UXTAFQPKZKFDPR-KWQFWETISA-N 1 1 206.245 0.714 40 0 BCABMO C[N@H+]1C[C@H](C(N)=O)[C@H](c2ccc(N)cc2)C1 ZINC000217663945 173191953 /nfs/dbraw/zinc/19/19/53/173191953.db2.gz YCCOQNRQQQVWEX-QWRGUYRKSA-N 1 1 219.288 0.399 40 0 BCABMO CN1C[C@H]2C[N@@H+](CC3CC3)CCN2C1=O ZINC000077266807 173197005 /nfs/dbraw/zinc/19/70/05/173197005.db2.gz QVRJGXUFQCKIBZ-JTQLQIEISA-N 1 1 209.293 0.448 40 0 biogenic,in-vitro BCABMO C[N@H+]1C[C@H]2C[C@H](C(=O)NCC3CC3)[C@@H](C1)O2 ZINC000096253049 173200324 /nfs/dbraw/zinc/20/03/24/173200324.db2.gz OHQCTOFPIPSPAZ-OUAUKWLOSA-N 1 1 224.304 0.232 40 0 BCABMO CNC(=O)[C@@H]1CCC[N@H+](Cc2ncc[nH]2)C1 ZINC000111264744 173298409 /nfs/dbraw/zinc/29/84/09/173298409.db2.gz HSFLYWCZKLGOKE-SECBINFHSA-N 1 1 222.292 0.368 40 0 BCABMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000111264744 173298410 /nfs/dbraw/zinc/29/84/10/173298410.db2.gz HSFLYWCZKLGOKE-SECBINFHSA-N 1 1 222.292 0.368 40 0 BCABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217663344 173299929 /nfs/dbraw/zinc/29/99/29/173299929.db2.gz XHOWJGGBNYPPDR-VXGBXAGGSA-N 1 1 233.315 0.660 40 0 BCABMO CNC(=O)[C@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000072368064 173306370 /nfs/dbraw/zinc/30/63/70/173306370.db2.gz XVHYRWJTNQYZDF-JTQLQIEISA-N 1 1 236.319 0.378 40 0 BCABMO CNC(=O)[C@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000072368064 173306371 /nfs/dbraw/zinc/30/63/71/173306371.db2.gz XVHYRWJTNQYZDF-JTQLQIEISA-N 1 1 236.319 0.378 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](C2CCCC2)Cc2cncn21 ZINC000247936144 173308323 /nfs/dbraw/zinc/30/83/23/173308323.db2.gz HDLGBQOSXOXKKA-GFCCVEGCSA-N 1 1 248.330 0.928 40 0 BCABMO CNC(=O)[C@H]1C[N@H+](C2CCCC2)Cc2cncn21 ZINC000247936144 173308324 /nfs/dbraw/zinc/30/83/24/173308324.db2.gz HDLGBQOSXOXKKA-GFCCVEGCSA-N 1 1 248.330 0.928 40 0 BCABMO COCC(=O)NCCC[N@H+]1CCC[C@@H](C)C1 ZINC000046961249 174048460 /nfs/dbraw/zinc/04/84/60/174048460.db2.gz YDYJZEUMLKPPSN-LLVKDONJSA-N 1 1 228.336 0.871 40 0 BCABMO COCC[N@H+]1CCC2(CN(c3ncccn3)C2)C1 ZINC000096202479 174304811 /nfs/dbraw/zinc/30/48/11/174304811.db2.gz HVVGWOAIHARJLE-UHFFFAOYSA-N 1 1 248.330 0.635 40 0 BCABMO COCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000082302091 174327337 /nfs/dbraw/zinc/32/73/37/174327337.db2.gz FAMUOCSJPFCIEW-VIFPVBQESA-N 1 1 200.282 0.091 40 0 BCABMO COc1cc2c(cc1OC)[C@H](C(N)=O)[NH2+]CC2 ZINC000061961016 175025950 /nfs/dbraw/zinc/02/59/50/175025950.db2.gz OHQJSXSSCLRLJC-LLVKDONJSA-N 1 1 236.271 0.376 40 0 BCABMO COc1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000077266027 175101553 /nfs/dbraw/zinc/10/15/53/175101553.db2.gz QFWRCQMRQQDRJR-GFCCVEGCSA-N 1 1 237.299 0.888 40 0 biogenic,in-vitro BCABMO COc1ncc(C[N@H+]2C[C@@H]3C[C@@H](O)C[C@@H]3C2)cn1 ZINC000257217724 175399622 /nfs/dbraw/zinc/39/96/22/175399622.db2.gz DAHZDLHPKRCEQH-GDNZZTSVSA-N 1 1 249.314 0.688 40 0 BCABMO C[C@H]1CCCCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000083871884 177073232 /nfs/dbraw/zinc/07/32/32/177073232.db2.gz HJGAXSWBBOVRSV-UWVGGRQHSA-N 1 1 212.293 0.376 40 0 BCABMO C[C@H]1C[NH2+]CCN1S(=O)(=O)c1cccs1 ZINC000054371872 177284727 /nfs/dbraw/zinc/28/47/27/177284727.db2.gz YMBMFRIRFQZDAY-QMMMGPOBSA-N 1 1 246.357 0.731 40 0 BCABMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]12NC(=O)NC2=O ZINC000033326409 177388121 /nfs/dbraw/zinc/38/81/21/177388121.db2.gz PTZHSPUSMKLXAU-FWWHASMVSA-N 1 1 211.265 0.765 40 0 BCABMO C[N@H+]1CC[C@H](O)[C@@H](Cc2cccnc2)C1 ZINC000169975264 487793990 /nfs/dbraw/zinc/79/39/90/487793990.db2.gz NTKKSPNSFJHPJY-RYUDHWBXSA-N 1 1 206.289 0.937 40 0 BCABMO CC[N@@H+]1CCC[C@@H]1c1n[nH]cc1C(=O)NC ZINC000072366130 343979933 /nfs/dbraw/zinc/97/99/33/343979933.db2.gz WZMSSMPNHCDGSB-SECBINFHSA-N 1 1 222.292 0.926 40 0 BCABMO CC[N@H+]1CCC[C@@H]1c1n[nH]cc1C(=O)NC ZINC000072366130 343979934 /nfs/dbraw/zinc/97/99/34/343979934.db2.gz WZMSSMPNHCDGSB-SECBINFHSA-N 1 1 222.292 0.926 40 0 BCABMO Cc1cc(=O)[nH]c([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072356875 178202686 /nfs/dbraw/zinc/20/26/86/178202686.db2.gz XCRJZTWRLDPHRJ-JTQLQIEISA-N 1 1 237.303 0.662 40 0 BCABMO C([C@@H]1CCCO1)[N@@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218839598 398328509 /nfs/dbraw/zinc/32/85/09/398328509.db2.gz MNGHFGGZAFBJOL-QJPTWQEYSA-N 1 1 210.321 0.992 40 0 BCABMO C([C@@H]1CCCO1)[N@H+]1CCN[C@@H]2CCC[C@H]21 ZINC000218839598 398328510 /nfs/dbraw/zinc/32/85/10/398328510.db2.gz MNGHFGGZAFBJOL-QJPTWQEYSA-N 1 1 210.321 0.992 40 0 BCABMO CC(C)(C)NC(=O)N1CC[NH+](CCO)CC1 ZINC000035115113 343285366 /nfs/dbraw/zinc/28/53/66/343285366.db2.gz PGVORPYWVJKFPO-UHFFFAOYSA-N 1 1 229.324 0.104 40 0 BCABMO Nc1nc(N)c(N)c(-c2ccccc2)[nH+]1 ZINC000013284656 346935297 /nfs/dbraw/zinc/93/52/97/346935297.db2.gz DQNNVEUCALFYGS-UHFFFAOYSA-N 1 1 201.233 0.890 40 0 BCABMO C1CC1N1CCN(C2CC[NH2+]CC2)CC1 ZINC000043501180 343780913 /nfs/dbraw/zinc/78/09/13/343780913.db2.gz XGTVARBPHFMWPE-UHFFFAOYSA-N 1 1 209.337 0.518 40 0 BCABMO C1CC(c2n[nH]c3c2COCC3)CC[NH2+]1 ZINC000107243559 343785649 /nfs/dbraw/zinc/78/56/49/343785649.db2.gz CKUPZYOXSZKKDE-UHFFFAOYSA-N 1 1 207.277 0.949 40 0 BCABMO C1C[NH2+]C[C@@H](c2n[nH]c3c2COCC3)C1 ZINC000107243551 343785720 /nfs/dbraw/zinc/78/57/20/343785720.db2.gz RXBHBZSXORPXRM-QMMMGPOBSA-N 1 1 207.277 0.949 40 0 BCABMO C[C@@H]1CN(c2ccc(N)c[nH+]2)CC[C@@H]1O ZINC000126761068 343786848 /nfs/dbraw/zinc/78/68/48/343786848.db2.gz XZEWZDYOOIDWGW-SCZZXKLOSA-N 1 1 207.277 0.871 40 0 BCABMO CCC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339418622 343791444 /nfs/dbraw/zinc/79/14/44/343791444.db2.gz FHYZHXHOYYSVRZ-LLVKDONJSA-N 1 1 224.308 0.817 40 0 BCABMO C[C@@H](O)C1CCN(C2CC[NH2+]CC2)CC1 ZINC000235284504 343794698 /nfs/dbraw/zinc/79/46/98/343794698.db2.gz HJUIWAAMAQUJHH-SNVBAGLBSA-N 1 1 212.337 0.831 40 0 BCABMO CO[C@@H]1CN(c2[nH+]cccc2N)C[C@H]1OC ZINC000234766565 343795041 /nfs/dbraw/zinc/79/50/41/343795041.db2.gz DOQVBFXRCXORON-NXEZZACHSA-N 1 1 223.276 0.514 40 0 BCABMO CCC[N@H+]1CCC[C@@H]1Cn1cc(CO)nn1 ZINC000409426843 343798978 /nfs/dbraw/zinc/79/89/78/343798978.db2.gz SKOIGWWVQOARQB-LLVKDONJSA-N 1 1 224.308 0.645 40 0 BCABMO OCc1cn(C[C@H]2CCC[N@H+]2CCF)nn1 ZINC000409427014 343799421 /nfs/dbraw/zinc/79/94/21/343799421.db2.gz TXJBBKVTMKWKJN-SNVBAGLBSA-N 1 1 228.271 0.204 40 0 BCABMO CC(C)C[N@H+]1CCC[C@H]1Cn1cc(CO)nn1 ZINC000409427049 343800253 /nfs/dbraw/zinc/80/02/53/343800253.db2.gz UBSDAKBVDNOBMO-LBPRGKRZSA-N 1 1 238.335 0.891 40 0 BCABMO COC[C@@H]1C[N@@H+](CCO)C[C@@H]1C(F)(F)F ZINC000409427443 343801285 /nfs/dbraw/zinc/80/12/85/343801285.db2.gz FGCUVEBBVUAAKL-YUMQZZPRSA-N 1 1 227.226 0.735 40 0 BCABMO COC(=O)[C@@H]1C[N@H+](C2CCCC2)CC[C@H]1O ZINC000409422257 343812912 /nfs/dbraw/zinc/81/29/12/343812912.db2.gz DEMWJRBPSZXVEM-GHMZBOCLSA-N 1 1 227.304 0.785 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CCC(C)C)CC[C@H]1O ZINC000409422626 343813756 /nfs/dbraw/zinc/81/37/56/343813756.db2.gz ITROJPKQKNFTBV-WDEREUQCSA-N 1 1 229.320 0.888 40 0 BCABMO CCC[N@H+]1CC[C@H](O)[C@H](C(=O)OC)C1 ZINC000409422524 343813868 /nfs/dbraw/zinc/81/38/68/343813868.db2.gz HWSPCANYLIKTTN-BDAKNGLRSA-N 1 1 201.266 0.252 40 0 BCABMO CCCC[N@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409422896 343814218 /nfs/dbraw/zinc/81/42/18/343814218.db2.gz LZWGYLDPMNNKHF-UWVGGRQHSA-N 1 1 215.293 0.642 40 0 BCABMO O=Cc1cn(C[C@@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409423220 343814807 /nfs/dbraw/zinc/81/48/07/343814807.db2.gz ATGCYUUQRRAAKY-SNVBAGLBSA-N 1 1 234.303 0.965 40 0 BCABMO CC[N@H+]1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000409423625 343815806 /nfs/dbraw/zinc/81/58/06/343815806.db2.gz CIVYZHQORFUHNT-JTQLQIEISA-N 1 1 224.308 0.502 40 0 BCABMO C[N@H+]1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000409423709 343815875 /nfs/dbraw/zinc/81/58/75/343815875.db2.gz CTVCPVCLWMCRLZ-SECBINFHSA-N 1 1 210.281 0.112 40 0 BCABMO CC(C)C[N@H+]1CC[C@H](Cn2cc(CO)nn2)C1 ZINC000409425088 343818087 /nfs/dbraw/zinc/81/80/87/343818087.db2.gz JOZQCGMRRVOMDU-NSHDSACASA-N 1 1 238.335 0.748 40 0 BCABMO O=Cc1cn(C[C@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000409424999 343818107 /nfs/dbraw/zinc/81/81/07/343818107.db2.gz IZRDYTAIMJYXRS-JTQLQIEISA-N 1 1 240.282 0.772 40 0 BCABMO O=Cc1cn(C[C@H]2CCC[N@H+](CCF)C2)nn1 ZINC000409424999 343818108 /nfs/dbraw/zinc/81/81/08/343818108.db2.gz IZRDYTAIMJYXRS-JTQLQIEISA-N 1 1 240.282 0.772 40 0 BCABMO C[C@@H]1CN(c2[nH+]cccc2N)C[C@@H]1CO ZINC000409429098 343804711 /nfs/dbraw/zinc/80/47/11/343804711.db2.gz NUIYQZNGUHTAGC-RKDXNWHRSA-N 1 1 207.277 0.728 40 0 BCABMO OCC[N@H+]1C[C@H](CO)[C@H](c2ccccc2)C1 ZINC000409429574 343806149 /nfs/dbraw/zinc/80/61/49/343806149.db2.gz HPQIYYCQJAJIKK-OLZOCXBDSA-N 1 1 221.300 0.687 40 0 BCABMO Cn1ccc([C@H]2CCCN(CCC[NH3+])C2)n1 ZINC000409430222 343807740 /nfs/dbraw/zinc/80/77/40/343807740.db2.gz QCIXHYQSGDANLA-NSHDSACASA-N 1 1 222.336 0.948 40 0 BCABMO O[C@H]1CCN(C2CC[NH2+]CC2)C[C@H]1CCF ZINC000409435027 343835384 /nfs/dbraw/zinc/83/53/84/343835384.db2.gz SBEGEVHQWRQTOD-PWSUYJOCSA-N 1 1 230.327 0.781 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCC(CO)CC2)C1 ZINC000409438514 343844196 /nfs/dbraw/zinc/84/41/96/343844196.db2.gz NDFVAOLSAFMYTC-LBPRGKRZSA-N 1 1 240.347 0.559 40 0 BCABMO [NH3+]Cc1nc(C2(n3cccc3)CCOCC2)no1 ZINC000409441863 343861719 /nfs/dbraw/zinc/86/17/19/343861719.db2.gz RWSVZZUEJNAVSF-UHFFFAOYSA-N 1 1 248.286 0.884 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@@H](C)[C@@H]([C@@H](C)O)[C@@H]1C ZINC000072210479 344512381 /nfs/dbraw/zinc/51/23/81/344512381.db2.gz DCBCKPVQVGMBSL-GENCIFFESA-N 1 1 215.293 0.543 40 0 BCABMO CNc1cc(N2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000127235364 345166618 /nfs/dbraw/zinc/16/66/18/345166618.db2.gz KWFNSLGCASOWSK-UHFFFAOYSA-N 1 1 233.319 0.805 40 0 BCABMO CNc1cc(N2CCC[NH2+]CC2)nc(C)n1 ZINC000258895517 345786784 /nfs/dbraw/zinc/78/67/84/345786784.db2.gz FZULZVMBPKJVDF-UHFFFAOYSA-N 1 1 221.308 0.626 40 0 BCABMO COCCN(CCOC)c1cc(N)[nH+]cn1 ZINC000087821320 345940318 /nfs/dbraw/zinc/94/03/18/345940318.db2.gz AEGPOVYRMZJYEJ-UHFFFAOYSA-N 1 1 226.280 0.158 40 0 BCABMO CCOCCCNC(=S)N1CC[NH+](C)CC1 ZINC000004216829 346245855 /nfs/dbraw/zinc/24/58/55/346245855.db2.gz HUYLNFBWBDCWOO-UHFFFAOYSA-N 1 1 245.392 0.535 40 0 BCABMO CC[N@@H+]1CCC[C@]1(C(=O)NC)c1cnccn1 ZINC000257286480 351044530 /nfs/dbraw/zinc/04/45/30/351044530.db2.gz PLSYGVZEXAFUGV-GFCCVEGCSA-N 1 1 234.303 0.534 40 0 BCABMO CC[N@H+]1CCC[C@]1(C(=O)NC)c1cnccn1 ZINC000257286480 351044533 /nfs/dbraw/zinc/04/45/33/351044533.db2.gz PLSYGVZEXAFUGV-GFCCVEGCSA-N 1 1 234.303 0.534 40 0 BCABMO C(CN1CCOCC1)C[NH+]1CCOCC1 ZINC000031335116 363147158 /nfs/dbraw/zinc/14/71/58/363147158.db2.gz PENRYFPQHOTBJV-UHFFFAOYSA-N 1 1 214.309 0.041 40 0 BCABMO CCc1[nH+]c(N)ccc1[C@H]1CNC(=O)C1 ZINC000199781726 363186585 /nfs/dbraw/zinc/18/65/85/363186585.db2.gz DHVHXGSQGBWRHR-SSDOTTSWSA-N 1 1 205.261 0.830 40 0 BCABMO Cc1nn(C)c(C)c1-c1noc(C[NH3+])n1 ZINC000074182257 188132035 /nfs/dbraw/zinc/13/20/35/188132035.db2.gz PZJUYPYZIDSIQB-UHFFFAOYSA-N 1 1 207.237 0.546 40 0 BCABMO NC(=O)C[N@@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000072361177 181231714 /nfs/dbraw/zinc/23/17/14/181231714.db2.gz GLUFBGGMYGAXFA-SECBINFHSA-N 1 1 239.344 0.883 40 0 BCABMO NC(=O)C[N@H+]1CCC[C@H](Cc2nccs2)C1 ZINC000072361177 181231716 /nfs/dbraw/zinc/23/17/16/181231716.db2.gz GLUFBGGMYGAXFA-SECBINFHSA-N 1 1 239.344 0.883 40 0 BCABMO NC(=O)[C@@]1(N)CC[N@@H+](Cc2ccccc2)C1 ZINC000037870583 181275703 /nfs/dbraw/zinc/27/57/03/181275703.db2.gz UWRFQTAIEVIVDY-GFCCVEGCSA-N 1 1 219.288 0.075 40 0 BCABMO NC[C@@H]([NH3+])c1ccc2c(c1)OC(F)(F)O2 ZINC000044470338 181419320 /nfs/dbraw/zinc/41/93/20/181419320.db2.gz YSUUJFAMBVQLEW-ZCFIWIBFSA-N 1 1 216.187 0.967 40 0 BCABMO Nc1nc2c(c(=O)[nH]1)C[N@@H+](Cc1ccccc1)C2 ZINC000215621626 368362202 /nfs/dbraw/zinc/36/22/02/368362202.db2.gz HROSSVNXCADKLQ-UHFFFAOYSA-N 1 1 242.282 0.868 40 0 BCABMO COC(=O)[C@H]([NH3+])C1CN(C(=O)OC(C)(C)C)C1 ZINC000149836473 368395470 /nfs/dbraw/zinc/39/54/70/368395470.db2.gz HGSNWIDVQSMJKV-MRVPVSSYSA-N 1 1 244.291 0.354 40 0 BCABMO CCN1CCN(C[C@H]([NH3+])CC(C)C)CC1 ZINC000020073828 371226941 /nfs/dbraw/zinc/22/69/41/371226941.db2.gz JVDZCBVHFVLYCR-GFCCVEGCSA-N 1 1 213.369 0.997 40 0 BCABMO OCC[N@H+]1CCCC[C@@H]1c1cnccn1 ZINC000072382229 183072002 /nfs/dbraw/zinc/07/20/02/183072002.db2.gz DKUDXOJBRCCHMQ-LLVKDONJSA-N 1 1 207.277 0.996 40 0 BCABMO OCCOCC[N@@H+](CCO)C1CCCCC1 ZINC000005374544 183082545 /nfs/dbraw/zinc/08/25/45/183082545.db2.gz PZCLVTMVLMJBGR-UHFFFAOYSA-N 1 1 231.336 0.622 40 0 BCABMO O[C@H]1C[N@H+](C2CCOCC2)CC[C@@]12CCCO2 ZINC000257314114 183242149 /nfs/dbraw/zinc/24/21/49/183242149.db2.gz UVJXCURFTJFRJB-STQMWFEESA-N 1 1 241.331 0.781 40 0 BCABMO O[C@H]1C[N@H+](Cc2c[nH]cn2)CC[C@@]12CCCO2 ZINC000257322606 183243852 /nfs/dbraw/zinc/24/38/52/183243852.db2.gz WGRFSVMVXTVSTH-RYUDHWBXSA-N 1 1 237.303 0.526 40 0 BCABMO O[C@H]1C[N@@H+](Cc2c[nH]cn2)CC[C@@]12CCCO2 ZINC000257322606 183243855 /nfs/dbraw/zinc/24/38/55/183243855.db2.gz WGRFSVMVXTVSTH-RYUDHWBXSA-N 1 1 237.303 0.526 40 0 BCABMO CC(C)NC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000047865712 383836061 /nfs/dbraw/zinc/83/60/61/383836061.db2.gz XXHJFEUUPJOQEP-JTQLQIEISA-N 1 1 214.309 0.215 40 0 BCABMO Nc1c(C(=[NH2+])NO)cnn1-c1ccc(F)cc1 ZINC000409434277 383828598 /nfs/dbraw/zinc/82/85/98/383828598.db2.gz FETUOBZOKBBZOZ-UHFFFAOYSA-N 1 1 235.222 0.898 40 0 BCABMO Cn1nccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000072397840 384012815 /nfs/dbraw/zinc/01/28/15/384012815.db2.gz UIOOCTSSNQSCLR-JTQLQIEISA-N 1 1 209.293 0.624 40 0 BCABMO Cn1nccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000072397841 384014183 /nfs/dbraw/zinc/01/41/83/384014183.db2.gz UIOOCTSSNQSCLR-SNVBAGLBSA-N 1 1 209.293 0.624 40 0 BCABMO CC(=O)N1CC[C@H](C[N@H+](CCO)C(C)C)C1 ZINC000079405405 384133278 /nfs/dbraw/zinc/13/32/78/384133278.db2.gz QGJFHFASJBDMTN-GFCCVEGCSA-N 1 1 228.336 0.558 40 0 BCABMO CCN(C[C@H]1CCCC[N@@H+]1C)C(=O)CN ZINC000079406897 384136341 /nfs/dbraw/zinc/13/63/41/384136341.db2.gz YCZVNHOWVMQCME-SNVBAGLBSA-N 1 1 213.325 0.278 40 0 BCABMO CCN(C[C@H]1CCCC[N@H+]1C)C(=O)CN ZINC000079406897 384136345 /nfs/dbraw/zinc/13/63/45/384136345.db2.gz YCZVNHOWVMQCME-SNVBAGLBSA-N 1 1 213.325 0.278 40 0 BCABMO CC(C)N(C[C@@H]1CCCC[N@@H+]1C)C(=O)CN ZINC000079406965 384136423 /nfs/dbraw/zinc/13/64/23/384136423.db2.gz FTAVDGTUWKRVMD-NSHDSACASA-N 1 1 227.352 0.666 40 0 BCABMO CC(C)N(C[C@@H]1CCCC[N@H+]1C)C(=O)CN ZINC000079406965 384136428 /nfs/dbraw/zinc/13/64/28/384136428.db2.gz FTAVDGTUWKRVMD-NSHDSACASA-N 1 1 227.352 0.666 40 0 BCABMO CC[N@H+](CCN)C[C@@H]1CCCN(C(C)=O)C1 ZINC000079405638 384132346 /nfs/dbraw/zinc/13/23/46/384132346.db2.gz TWIJCKZRQPNJAO-LBPRGKRZSA-N 1 1 227.352 0.526 40 0 BCABMO CC[N@@H+](CCN)C[C@@H]1CCCN(C(C)=O)C1 ZINC000079405638 384132349 /nfs/dbraw/zinc/13/23/49/384132349.db2.gz TWIJCKZRQPNJAO-LBPRGKRZSA-N 1 1 227.352 0.526 40 0 BCABMO CC[N@@H+](CCO)[C@H]1CCCC[C@@H]1NC(C)=O ZINC000079405380 384132938 /nfs/dbraw/zinc/13/29/38/384132938.db2.gz HCOCTCQWVBEJKU-RYUDHWBXSA-N 1 1 228.336 0.748 40 0 BCABMO CC[N@@H+](CCO)[C@@H]1CCCC[C@@H]1NC(C)=O ZINC000079405376 384132949 /nfs/dbraw/zinc/13/29/49/384132949.db2.gz HCOCTCQWVBEJKU-NWDGAFQWSA-N 1 1 228.336 0.748 40 0 BCABMO CC(=O)N(C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000079416586 384139112 /nfs/dbraw/zinc/13/91/12/384139112.db2.gz ZSVNYWPQJFUGBS-ZDUSSCGKSA-N 1 1 240.347 0.844 40 0 BCABMO CCN(C[C@@H]1CCC[N@H+]1CCO)C(C)=O ZINC000079416418 384139400 /nfs/dbraw/zinc/13/94/00/384139400.db2.gz ZSFKYZAOEDOESY-NSHDSACASA-N 1 1 214.309 0.312 40 0 BCABMO CC(=O)N(C1CC1)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079416553 384140391 /nfs/dbraw/zinc/14/03/91/384140391.db2.gz PXVPWQBQOYDPGT-LLVKDONJSA-N 1 1 212.293 0.064 40 0 BCABMO C[N@@H+](C[C@H]1CCCCN1CCO)C1CC1 ZINC000079418921 384142180 /nfs/dbraw/zinc/14/21/80/384142180.db2.gz ARPSGAJTMJQWRE-GFCCVEGCSA-N 1 1 212.337 0.927 40 0 BCABMO CN(C[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000079418921 384142184 /nfs/dbraw/zinc/14/21/84/384142184.db2.gz ARPSGAJTMJQWRE-GFCCVEGCSA-N 1 1 212.337 0.927 40 0 BCABMO CN(C[C@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000079418921 384142190 /nfs/dbraw/zinc/14/21/90/384142190.db2.gz ARPSGAJTMJQWRE-GFCCVEGCSA-N 1 1 212.337 0.927 40 0 BCABMO C[N@H+](C1CC1)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079419790 384142703 /nfs/dbraw/zinc/14/27/03/384142703.db2.gz PFCWTHCCPNDPSX-UHFFFAOYSA-N 1 1 212.293 0.630 40 0 BCABMO C[N@@H+](C1CC1)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079419790 384142707 /nfs/dbraw/zinc/14/27/07/384142707.db2.gz PFCWTHCCPNDPSX-UHFFFAOYSA-N 1 1 212.293 0.630 40 0 BCABMO CNc1nccnc1[C@@H]1CCC[N@H+]1CCO ZINC000072356890 384211618 /nfs/dbraw/zinc/21/16/18/384211618.db2.gz WZFVCJZVYFXJGV-VIFPVBQESA-N 1 1 222.292 0.648 40 0 BCABMO CC(C)[N@H+](CC(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000083318570 384286582 /nfs/dbraw/zinc/28/65/82/384286582.db2.gz NXUJHNBZHLKZLJ-SNVBAGLBSA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[NH+](CC(=O)[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000083318570 384286587 /nfs/dbraw/zinc/28/65/87/384286587.db2.gz NXUJHNBZHLKZLJ-SNVBAGLBSA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[NH+](CC(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000083318570 384286593 /nfs/dbraw/zinc/28/65/93/384286593.db2.gz NXUJHNBZHLKZLJ-SNVBAGLBSA-N 1 1 214.309 0.733 40 0 BCABMO CC[N@H+](CC(=O)[O-])C[C@@H]1CC[NH+](C)C1 ZINC000083318533 384287653 /nfs/dbraw/zinc/28/76/53/384287653.db2.gz LFAGBYOJOQMRQR-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@@H]1CC[N@H+](C)C1 ZINC000083318533 384287658 /nfs/dbraw/zinc/28/76/58/384287658.db2.gz LFAGBYOJOQMRQR-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@@H]1CC[N@@H+](C)C1 ZINC000083318533 384287664 /nfs/dbraw/zinc/28/76/64/384287664.db2.gz LFAGBYOJOQMRQR-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO CCCN(CCC)C(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000061708861 384397758 /nfs/dbraw/zinc/39/77/58/384397758.db2.gz DIFLMIFQOYYKFW-LLVKDONJSA-N 1 1 228.336 0.702 40 0 BCABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061707711 384398352 /nfs/dbraw/zinc/39/83/52/384398352.db2.gz XGURGGAKQXRKCD-MNOVXSKESA-N 1 1 226.320 0.454 40 0 BCABMO O=C(C[N@H+]1CC[C@H](O)C1)Nc1ccccc1 ZINC000061708122 384398555 /nfs/dbraw/zinc/39/85/55/384398555.db2.gz VAQBFCDZBTZKIU-NSHDSACASA-N 1 1 220.272 0.692 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](O)C1)Nc1ccccc1 ZINC000061708122 384398559 /nfs/dbraw/zinc/39/85/59/384398559.db2.gz VAQBFCDZBTZKIU-NSHDSACASA-N 1 1 220.272 0.692 40 0 BCABMO O=C1C[C@H]2[C@H](CC[N@H+]2Cc2ccoc2)N1 ZINC000096245675 384445407 /nfs/dbraw/zinc/44/54/07/384445407.db2.gz YLTBRRNUFCZPPW-UWVGGRQHSA-N 1 1 206.245 0.742 40 0 BCABMO O=C1NCC[C@H]2C[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000096094270 384434641 /nfs/dbraw/zinc/43/46/41/384434641.db2.gz QNPGOMXWJYATHN-WDEREUQCSA-N 1 1 220.272 0.848 40 0 BCABMO NN[C@H](CC[NH+]1CCOCC1)c1ccccc1 ZINC000199560374 384524140 /nfs/dbraw/zinc/52/41/40/384524140.db2.gz FQOUXFRTFFHEQU-CYBMUJFWSA-N 1 1 235.331 0.913 40 0 BCABMO O=C1[C@@H]2CC[C@@H](C2)[C@@H]1C[NH+]1CCOCC1 ZINC000019911577 384555666 /nfs/dbraw/zinc/55/56/66/384555666.db2.gz JDICLBMHNUZBSA-AXFHLTTASA-N 1 1 209.289 0.934 40 0 BCABMO O=C1C[C@@H]2[C@@H](CC[N@H+]2Cc2ccoc2)N1 ZINC000107251389 384959336 /nfs/dbraw/zinc/95/93/36/384959336.db2.gz YLTBRRNUFCZPPW-NXEZZACHSA-N 1 1 206.245 0.742 40 0 BCABMO [NH3+]Cc1nc(CC(=O)N2CCCCCC2)no1 ZINC000095095732 385141498 /nfs/dbraw/zinc/14/14/98/385141498.db2.gz IVOOLLHBORQXDX-UHFFFAOYSA-N 1 1 238.291 0.473 40 0 BCABMO Cc1cc(CCO)c[nH+]c1N1CCN(C=O)CC1 ZINC000072222652 385112795 /nfs/dbraw/zinc/11/27/95/385112795.db2.gz JSXMJMJCQICOHX-UHFFFAOYSA-N 1 1 249.314 0.203 40 0 BCABMO COc1ccc([C@H]2[C@@H]([NH3+])C(=O)N2C)cc1OC ZINC000072228261 385128039 /nfs/dbraw/zinc/12/80/39/385128039.db2.gz PPRBDPCRCSBCOK-MNOVXSKESA-N 1 1 236.271 0.544 40 0 BCABMO [NH3+]Cc1nc(CC(=O)Nc2ccccc2)no1 ZINC000095095734 385142418 /nfs/dbraw/zinc/14/24/18/385142418.db2.gz HFAZZCRTMCBYQA-UHFFFAOYSA-N 1 1 232.243 0.710 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398556 385165030 /nfs/dbraw/zinc/16/50/30/385165030.db2.gz MQZINACZCKFGSR-GWOFURMSSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398556 385165034 /nfs/dbraw/zinc/16/50/34/385165034.db2.gz MQZINACZCKFGSR-GWOFURMSSA-N 1 1 237.299 0.991 40 0 BCABMO CCO[C@@H]1CN(c2[nH+]cccc2N)C[C@H]1O ZINC000409428998 385328630 /nfs/dbraw/zinc/32/86/30/385328630.db2.gz HFNYSCYXEBKYEM-NXEZZACHSA-N 1 1 223.276 0.250 40 0 BCABMO CN1C(=O)C(c2ccccc2)=NC12C[NH2+]C2 ZINC000409423569 385332068 /nfs/dbraw/zinc/33/20/68/385332068.db2.gz STQYBGBYAUSAHY-UHFFFAOYSA-N 1 1 215.256 0.247 40 0 BCABMO [NH3+]Cc1nc(-c2cnn(CC3CC3)c2)no1 ZINC000409423571 385332079 /nfs/dbraw/zinc/33/20/79/385332079.db2.gz PERVMDQYFLLXIQ-UHFFFAOYSA-N 1 1 219.248 0.802 40 0 BCABMO O=C([C@H]1CCC[N@H+]1C[C@@H]1CO1)N1CCCCC1 ZINC000095097829 385454180 /nfs/dbraw/zinc/45/41/80/385454180.db2.gz NCYMFWSTTPFFTI-VXGBXAGGSA-N 1 1 238.331 0.862 40 0 BCABMO COC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000057495787 385518343 /nfs/dbraw/zinc/51/83/43/385518343.db2.gz ITTNEYHOTRRQRM-JTQLQIEISA-N 1 1 209.245 0.738 40 0 BCABMO CC(=O)N[C@@H]1CN(c2cccc(C)[nH+]2)C[C@H]1O ZINC000257204685 385753196 /nfs/dbraw/zinc/75/31/96/385753196.db2.gz AVWYWKWMAAYTHS-GHMZBOCLSA-N 1 1 235.287 0.076 40 0 BCABMO CO[C@H]1C[N@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257240103 385754987 /nfs/dbraw/zinc/75/49/87/385754987.db2.gz HSBPKHRJTDLSFA-STQMWFEESA-N 1 1 249.314 0.856 40 0 BCABMO CO[C@H]1C[N@@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257240103 385754991 /nfs/dbraw/zinc/75/49/91/385754991.db2.gz HSBPKHRJTDLSFA-STQMWFEESA-N 1 1 249.314 0.856 40 0 BCABMO CNC(=O)c1cccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000257267464 385757895 /nfs/dbraw/zinc/75/78/95/385757895.db2.gz MHKVYAXRABUDBC-LBPRGKRZSA-N 1 1 249.314 0.570 40 0 BCABMO Cn1cnc2c(c1=O)CC[N@@H+](CC1CCC1)CC2 ZINC000306129194 385992103 /nfs/dbraw/zinc/99/21/03/385992103.db2.gz HWZOYKBFUOZMIQ-UHFFFAOYSA-N 1 1 247.342 0.981 40 0 BCABMO C[NH2+][C@H](C(N)=O)c1cc(F)ccc1F ZINC000037869739 386105330 /nfs/dbraw/zinc/10/53/30/386105330.db2.gz HMJDZTZVUSGDDF-QMMMGPOBSA-N 1 1 200.188 0.711 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@@H+]21 ZINC000216526186 387034554 /nfs/dbraw/zinc/03/45/54/387034554.db2.gz MQZINACZCKFGSR-DBIOUOCHSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@H+]21 ZINC000216526186 387034560 /nfs/dbraw/zinc/03/45/60/387034560.db2.gz MQZINACZCKFGSR-DBIOUOCHSA-N 1 1 237.299 0.991 40 0 BCABMO CN1CC[C@@H]([NH3+])[C@@H](Cc2ccccn2)C1 ZINC000242547660 388399486 /nfs/dbraw/zinc/39/94/86/388399486.db2.gz KQJHUDOKQYCDRG-CMPLNLGQSA-N 1 1 205.305 0.903 40 0 BCABMO COc1ccc([C@H]([NH3+])c2nc(N)n[nH]2)cc1 ZINC000095533768 388777069 /nfs/dbraw/zinc/77/70/69/388777069.db2.gz BFBDPANTODKJSR-QMMMGPOBSA-N 1 1 219.248 0.444 40 0 BCABMO c1ccc(CN2C[C@H]3[NH2+]CCN[C@H]3C2)cc1 ZINC000139554231 388888215 /nfs/dbraw/zinc/88/82/15/388888215.db2.gz LXUVVYZTCINSGH-BETUJISGSA-N 1 1 217.316 0.432 40 0 BCABMO C[NH+]1CCN(c2cnc(Cl)cn2)CC1 ZINC000199754499 132282219 /nfs/dbraw/zinc/28/22/19/132282219.db2.gz RKSXNPSNKADWBF-UHFFFAOYSA-N 1 1 212.684 0.882 40 0 BCABMO CC(C)NC(=O)[C@H]1C[NH2+]Cc2ccnn21 ZINC000248003577 167083115 /nfs/dbraw/zinc/08/31/15/167083115.db2.gz OQVMCGQQBWZOIK-SECBINFHSA-N 1 1 208.265 0.052 40 0 BCABMO CC(C)([C@H](CN)CO)[NH+]1CCCCC1 ZINC000072210345 322905957 /nfs/dbraw/zinc/90/59/57/322905957.db2.gz RHTCFBCBXOIKFX-SNVBAGLBSA-N 1 1 200.326 0.818 40 0 BCABMO CC(C)C[N@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000195061552 411191232 /nfs/dbraw/zinc/19/12/32/411191232.db2.gz UWROQFBINDUZOS-UHFFFAOYSA-N 1 1 224.308 0.363 40 0 BCABMO CC(C)C[N@@H+](CC(N)=O)Cc1cnn(C)c1 ZINC000195061552 411191235 /nfs/dbraw/zinc/19/12/35/411191235.db2.gz UWROQFBINDUZOS-UHFFFAOYSA-N 1 1 224.308 0.363 40 0 BCABMO Nc1ccc2c(c1)=[NH+]CC=2C(F)(F)F ZINC000602993555 411299999 /nfs/dbraw/zinc/29/99/99/411299999.db2.gz LEUAYIKPTNWGKB-UHFFFAOYSA-N 1 1 200.163 0.615 40 0 BCABMO CC1CCC(O)(C[NH+]2CCNCC2)CC1 ZINC000096511427 168167308 /nfs/dbraw/zinc/16/73/08/168167308.db2.gz HMNZHUBUNOEKLK-UHFFFAOYSA-N 1 1 212.337 0.833 40 0 BCABMO CC1CCN(C(=O)[C@H]2COCC[NH2+]2)CC1 ZINC000083871862 168175798 /nfs/dbraw/zinc/17/57/98/168175798.db2.gz RJWMPTCGMLDMOZ-SNVBAGLBSA-N 1 1 212.293 0.233 40 0 BCABMO CCOC(=O)[C@]1([NH3+])CC[C@H](S(=O)(=O)CC)C1 ZINC000217946746 170285620 /nfs/dbraw/zinc/28/56/20/170285620.db2.gz VPCNWNDEEMUHBV-WPRPVWTQSA-N 1 1 249.332 0.234 40 0 BCABMO CCOC(=O)c1c(C)[nH]nc1[C@H]1CC[NH2+]C1 ZINC000038580625 170289582 /nfs/dbraw/zinc/28/95/82/170289582.db2.gz UZOJYTDKZIVWMZ-QMMMGPOBSA-N 1 1 223.276 0.972 40 0 BCABMO CCn1cc(C[NH2+]Cc2ccnn2C)cn1 ZINC000020349891 172172461 /nfs/dbraw/zinc/17/24/61/172172461.db2.gz NZAAGLMPCVUFPE-UHFFFAOYSA-N 1 1 219.292 0.926 40 0 BCABMO CN1CCn2c(nnc2C2CC[NH+](C)CC2)C1 ZINC000072352914 173001359 /nfs/dbraw/zinc/00/13/59/173001359.db2.gz HXLQVQOCFWGRDR-UHFFFAOYSA-N 1 1 235.335 0.533 40 0 BCABMO C[N@@H+]1CCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079407020 173031199 /nfs/dbraw/zinc/03/11/99/173031199.db2.gz QYHYXKDOOAEMBY-SNVBAGLBSA-N 1 1 211.309 0.030 40 0 BCABMO C[N@H+]1CCC[C@@H]1CN(C(=O)CN)C1CC1 ZINC000079407020 173031202 /nfs/dbraw/zinc/03/12/02/173031202.db2.gz QYHYXKDOOAEMBY-SNVBAGLBSA-N 1 1 211.309 0.030 40 0 BCABMO C[N@@H+]1CCC[C@H]1c1nc(-c2cncnc2N)no1 ZINC000035425998 173059058 /nfs/dbraw/zinc/05/90/58/173059058.db2.gz BUSYVPQSSYATLC-QMMMGPOBSA-N 1 1 246.274 0.876 40 0 biogenic,in-vitro BCABMO C[N@H+]1CCC[C@H]1c1nc(-c2cncnc2N)no1 ZINC000035425998 173059059 /nfs/dbraw/zinc/05/90/59/173059059.db2.gz BUSYVPQSSYATLC-QMMMGPOBSA-N 1 1 246.274 0.876 40 0 biogenic,in-vitro BCABMO C[N@H+]1CCO[C@](C)(C(=O)NCC2CC2)C1 ZINC000072379347 173109326 /nfs/dbraw/zinc/10/93/26/173109326.db2.gz SNUOEZTXMSMNFR-NSHDSACASA-N 1 1 212.293 0.233 40 0 BCABMO C[N@@H+]1CCO[C@](C)(C(=O)NCC2CC2)C1 ZINC000072379347 173109325 /nfs/dbraw/zinc/10/93/25/173109325.db2.gz SNUOEZTXMSMNFR-NSHDSACASA-N 1 1 212.293 0.233 40 0 BCABMO C[N@@H+]1CCO[C@](C)(C(=O)N2CCSCC2)C1 ZINC000257326200 173111042 /nfs/dbraw/zinc/11/10/42/173111042.db2.gz WWFSORLEMFGCJO-NSHDSACASA-N 1 1 244.360 0.283 40 0 BCABMO C[N@H+]1CCO[C@](C)(C(=O)N2CCSCC2)C1 ZINC000257326200 173111043 /nfs/dbraw/zinc/11/10/43/173111043.db2.gz WWFSORLEMFGCJO-NSHDSACASA-N 1 1 244.360 0.283 40 0 BCABMO CN(C)C(=O)N[C@H]1CCO[C@]2(CC[N@@H+](C)C2)C1 ZINC000096206180 173140944 /nfs/dbraw/zinc/14/09/44/173140944.db2.gz HRDHYUVZCRXELM-CMPLNLGQSA-N 1 1 241.335 0.511 40 0 BCABMO C[N@H+]1CC[C@H](c2cc(CCO)ncn2)C1 ZINC000072383153 173155708 /nfs/dbraw/zinc/15/57/08/173155708.db2.gz UINSGVJDOIQFCN-VIFPVBQESA-N 1 1 207.277 0.431 40 0 BCABMO C[N@H+]1CCc2nc(C3CC3)[nH]c(=O)c2C1 ZINC000139230041 173168892 /nfs/dbraw/zinc/16/88/92/173168892.db2.gz WYSNSCXEDMVTNG-UHFFFAOYSA-N 1 1 205.261 0.635 40 0 BCABMO C[NH2+]Cc1nc(-c2cc[nH]c(=O)c2)no1 ZINC000328579344 173394258 /nfs/dbraw/zinc/39/42/58/173394258.db2.gz BSBFCLKJQCRMEX-UHFFFAOYSA-N 1 1 206.205 0.557 40 0 BCABMO COCC[NH+]1CC(c2ccnc(C)n2)C1 ZINC000072381566 174303410 /nfs/dbraw/zinc/30/34/10/174303410.db2.gz USUIDUJFZJWGCO-UHFFFAOYSA-N 1 1 207.277 0.831 40 0 BCABMO COCC[N@H+]1CCC[C@@H]1c1cccc(C(N)=O)n1 ZINC000072355802 174306797 /nfs/dbraw/zinc/30/67/97/174306797.db2.gz KGICCZZTCNFNCT-GFCCVEGCSA-N 1 1 249.314 0.964 40 0 BCABMO COCC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000072357036 174307582 /nfs/dbraw/zinc/30/75/82/174307582.db2.gz FAXDCLBJALWOBX-SNVBAGLBSA-N 1 1 236.319 0.885 40 0 BCABMO COc1ccc(C[N@@H+]2CCOC[C@H](O)C2)cn1 ZINC000077266092 175101151 /nfs/dbraw/zinc/10/11/51/175101151.db2.gz HNPJWTXFNGVESX-LLVKDONJSA-N 1 1 238.287 0.283 40 0 biogenic,in-vitro BCABMO COc1ccc(C[N@H+]2CCOC[C@H](O)C2)cn1 ZINC000077266092 175101153 /nfs/dbraw/zinc/10/11/53/175101153.db2.gz HNPJWTXFNGVESX-LLVKDONJSA-N 1 1 238.287 0.283 40 0 biogenic,in-vitro BCABMO C[C@@H](c1cnccn1)[N@H+]1CCC[C@@H](O)C1 ZINC000095089041 176036529 /nfs/dbraw/zinc/03/65/29/176036529.db2.gz BABHTXOUBDXBPZ-VHSXEESVSA-N 1 1 207.277 0.994 40 0 BCABMO C[C@@H]1CCCCN1C(=O)[C@@H]1COCC[NH2+]1 ZINC000083871882 176067344 /nfs/dbraw/zinc/06/73/44/176067344.db2.gz HJGAXSWBBOVRSV-ZJUUUORDSA-N 1 1 212.293 0.376 40 0 BCABMO C[C@@H]1C[NH2+]CCN1S(=O)(=O)c1cccs1 ZINC000054371871 176327623 /nfs/dbraw/zinc/32/76/23/176327623.db2.gz YMBMFRIRFQZDAY-MRVPVSSYSA-N 1 1 246.357 0.731 40 0 BCABMO C[C@@H]1CN(CCCO)[C@@H](C)C[N@H+]1CCCO ZINC000022951469 177249752 /nfs/dbraw/zinc/24/97/52/177249752.db2.gz IWKQAKRPXVCLLA-TXEJJXNPSA-N 1 1 230.352 0.146 40 0 BCABMO C[C@@H]1C[N@H+](CCCO)[C@@H](C)CN1CCCO ZINC000022951469 177249753 /nfs/dbraw/zinc/24/97/53/177249753.db2.gz IWKQAKRPXVCLLA-TXEJJXNPSA-N 1 1 230.352 0.146 40 0 BCABMO C[C@@H]1C[N@@H+](CCCO)[C@@H](C)CN1CCCO ZINC000022951469 177249754 /nfs/dbraw/zinc/24/97/54/177249754.db2.gz IWKQAKRPXVCLLA-TXEJJXNPSA-N 1 1 230.352 0.146 40 0 BCABMO C[N@H+]1CC[C@H](O)[C@@H](Cc2ccncc2)C1 ZINC000169975257 487794002 /nfs/dbraw/zinc/79/40/02/487794002.db2.gz JKERHQVRJCSDMC-RYUDHWBXSA-N 1 1 206.289 0.937 40 0 BCABMO [NH3+]CC(=O)OC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 ZINC000066354480 322947693 /nfs/dbraw/zinc/94/76/93/322947693.db2.gz BHFVPRKBWRIADA-LRSDLPTKSA-N 1 1 225.288 0.572 40 0 BCABMO CC(=O)N1C[C@@H]2C[N@@H+](C)CCN2C(C)(C)C1 ZINC000253409172 519635296 /nfs/dbraw/zinc/63/52/96/519635296.db2.gz ZTEXOFQEVKKFDY-NSHDSACASA-N 1 1 225.336 0.243 40 0 biogenic,in-vitro BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](CCO)C2CC2)CC1 ZINC000242575022 519701083 /nfs/dbraw/zinc/70/10/83/519701083.db2.gz NPAUCXQFHGGGEV-HAQNSBGRSA-N 1 1 240.347 0.890 40 0 BCABMO CC(C)Nc1nc(NN)[nH+]c(NC(C)C)n1 ZINC000073666997 519741722 /nfs/dbraw/zinc/74/17/22/519741722.db2.gz WVDVIYFBOTXOBV-UHFFFAOYSA-N 1 1 225.300 0.798 40 0 BCABMO CC[N@H+](CCN)[C@@H]1CCCC[C@H]1NC(C)=O ZINC000242390296 521045060 /nfs/dbraw/zinc/04/50/60/521045060.db2.gz AJAHCNYNTURMGC-VXGBXAGGSA-N 1 1 227.352 0.714 40 0 BCABMO CC[N@@H+](CCN)[C@@H]1CCCC[C@H]1NC(C)=O ZINC000242390296 521045066 /nfs/dbraw/zinc/04/50/66/521045066.db2.gz AJAHCNYNTURMGC-VXGBXAGGSA-N 1 1 227.352 0.714 40 0 BCABMO CS[C@]12CS(=O)(=O)C=C1NC(=[NH2+])S2 ZINC000006408314 346811866 /nfs/dbraw/zinc/81/18/66/346811866.db2.gz JJJBTKUHUBEYJB-LURJTMIESA-N 1 1 236.343 0.597 40 0 BCABMO CS[C@@]12CS(=O)(=O)C=C1NC(=[NH2+])S2 ZINC000006408299 346812752 /nfs/dbraw/zinc/81/27/52/346812752.db2.gz JJJBTKUHUBEYJB-ZCFIWIBFSA-N 1 1 236.343 0.597 40 0 BCABMO C[NH+](C)CCNC1CN(C(=O)OC(C)(C)C)C1 ZINC000071335009 398259166 /nfs/dbraw/zinc/25/91/66/398259166.db2.gz UOYANQXTSKHUBK-UHFFFAOYSA-N 1 1 243.351 0.757 40 0 BCABMO Nc1nc(N)[nH+]c(NCc2ccccc2)n1 ZINC000001707016 342710256 /nfs/dbraw/zinc/71/02/56/342710256.db2.gz FZNYFWOTWAPTCI-UHFFFAOYSA-N 1 1 216.248 0.648 40 0 BCABMO CC[NH+](CC)[C@H](C(C)C)[C@@H](CN)CO ZINC000072210606 259317428 /nfs/dbraw/zinc/31/74/28/259317428.db2.gz YWNMXCHZESQTCM-WDEREUQCSA-N 1 1 202.342 0.920 40 0 BCABMO COC(=O)[C@H]([NH3+])Cc1ccc(OC)cc1 ZINC000031961988 343227341 /nfs/dbraw/zinc/22/73/41/343227341.db2.gz USYGMXDJUAQNGU-SNVBAGLBSA-N 1 1 209.245 0.738 40 0 BCABMO CCSC1=[NH+][C@@H]2CS(=O)(=O)C[C@H]2N1C ZINC000032508591 343236443 /nfs/dbraw/zinc/23/64/43/343236443.db2.gz BMIBVIWVEFPTHR-RNFRBKRXSA-N 1 1 234.346 0.207 40 0 BCABMO COC(=O)[C@@H](C)C[NH2+]CCCN(C)C ZINC000035133545 343286045 /nfs/dbraw/zinc/28/60/45/343286045.db2.gz UHZBRCRZQLOYJA-VIFPVBQESA-N 1 1 202.298 0.337 40 0 BCABMO COC(=O)C[C@H](C)[NH2+]CCCN(C)C ZINC000035748431 343303580 /nfs/dbraw/zinc/30/35/80/343303580.db2.gz VVGXXOWZXNYRRA-VIFPVBQESA-N 1 1 202.298 0.479 40 0 BCABMO CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339414669 343699325 /nfs/dbraw/zinc/69/93/25/343699325.db2.gz IZRCCRROZOHHAY-SNVBAGLBSA-N 1 1 210.281 0.427 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccc2c(c1)OCO2 ZINC000096526021 343760034 /nfs/dbraw/zinc/76/00/34/343760034.db2.gz AUTQCVXYWUBPHR-GHMZBOCLSA-N 1 1 234.255 0.646 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1cccc(OC)c1 ZINC000096526003 343760067 /nfs/dbraw/zinc/76/00/67/343760067.db2.gz OLWCOHJZPIYRCQ-WDEREUQCSA-N 1 1 220.272 0.926 40 0 BCABMO O=C([O-])C[NH+]1CCC([NH+]2CCSCC2)CC1 ZINC000409427971 343802132 /nfs/dbraw/zinc/80/21/32/343802132.db2.gz LIXHXNGCLMQJNN-UHFFFAOYSA-N 1 1 244.360 0.584 40 0 BCABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000048581008 343782067 /nfs/dbraw/zinc/78/20/67/343782067.db2.gz DIDROFKUGWAWMA-NEPJUHHUSA-N 1 1 240.347 0.844 40 0 BCABMO O=C(C[N@@H+]1CCC[C@H](CO)C1)N1CCCCC1 ZINC000047916193 343782071 /nfs/dbraw/zinc/78/20/71/343782071.db2.gz LPGGBWMITFLJJM-LBPRGKRZSA-N 1 1 240.347 0.703 40 0 BCABMO CC1CCN(C(=O)C[N@H+]2CC[C@@H](CO)C2)CC1 ZINC000051886713 343788792 /nfs/dbraw/zinc/78/87/92/343788792.db2.gz NQWCSSUIYJYRKF-GFCCVEGCSA-N 1 1 240.347 0.559 40 0 BCABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886696 343789012 /nfs/dbraw/zinc/78/90/12/343789012.db2.gz VVUJJALLIWPADH-NEPJUHHUSA-N 1 1 240.347 0.702 40 0 BCABMO OCc1cn(C[C@@H]2CCC[N@H+]2CC2CC2)nn1 ZINC000409427047 343800005 /nfs/dbraw/zinc/80/00/05/343800005.db2.gz UBQYDFUBLVSMNK-LBPRGKRZSA-N 1 1 236.319 0.645 40 0 BCABMO O=Cc1cn([C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409427261 343800673 /nfs/dbraw/zinc/80/06/73/343800673.db2.gz VMOJWDMIGHJZGS-LLVKDONJSA-N 1 1 220.276 0.747 40 0 BCABMO OCC[N@H+]1C[C@H](CO)[C@H](C(F)(F)F)C1 ZINC000409427454 343801191 /nfs/dbraw/zinc/80/11/91/343801191.db2.gz FGPFAMPQUDWWII-RNFRBKRXSA-N 1 1 213.199 0.081 40 0 BCABMO COC[C@H]1C[N@@H+](CCO)C[C@H]1C(F)(F)F ZINC000409427437 343801243 /nfs/dbraw/zinc/80/12/43/343801243.db2.gz FGCUVEBBVUAAKL-HTQZYQBOSA-N 1 1 227.226 0.735 40 0 BCABMO OCc1cn(C[C@H]2CCC[N@H+]2C2CCC2)nn1 ZINC000409428296 343803272 /nfs/dbraw/zinc/80/32/72/343803272.db2.gz ZPAOQLNINAICJF-GFCCVEGCSA-N 1 1 236.319 0.787 40 0 BCABMO CC(C)C[N@H+]1CC[C@H](n2cc(C=O)nn2)C1 ZINC000409428406 343803281 /nfs/dbraw/zinc/80/32/81/343803281.db2.gz ZVRPEXDIONMBML-NSHDSACASA-N 1 1 222.292 0.993 40 0 BCABMO COC(=O)[C@H]1C[N@H+](C2CCCC2)CC[C@@H]1O ZINC000409422260 343813335 /nfs/dbraw/zinc/81/33/35/343813335.db2.gz DEMWJRBPSZXVEM-QWRGUYRKSA-N 1 1 227.304 0.785 40 0 BCABMO COC(=O)[C@H]1C[N@H+](C2CCCC2)CC[C@H]1O ZINC000409422261 343813468 /nfs/dbraw/zinc/81/34/68/343813468.db2.gz DEMWJRBPSZXVEM-WDEREUQCSA-N 1 1 227.304 0.785 40 0 BCABMO C[NH2+]Cc1nc(-c2cccn(C)c2=O)no1 ZINC000409422608 343813984 /nfs/dbraw/zinc/81/39/84/343813984.db2.gz GQVHHGMKTJPQRK-UHFFFAOYSA-N 1 1 220.232 0.155 40 0 BCABMO CCC[N@H+]1CCC[C@H]1Cn1cc(C=O)nn1 ZINC000409423243 343814708 /nfs/dbraw/zinc/81/47/08/343814708.db2.gz AYRFXTRIJLWJMR-NSHDSACASA-N 1 1 222.292 0.965 40 0 BCABMO OCc1cn([C@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409423361 343815259 /nfs/dbraw/zinc/81/52/59/343815259.db2.gz BLIPLTGUKAFVIJ-NSHDSACASA-N 1 1 222.292 0.570 40 0 BCABMO C[N@H+]1CCCC[C@@H]1Cn1cc(CO)nn1 ZINC000409423784 343816382 /nfs/dbraw/zinc/81/63/82/343816382.db2.gz DAZALXPGJSEKPJ-SNVBAGLBSA-N 1 1 210.281 0.255 40 0 BCABMO C[C@H](O)[C@@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409425151 343818306 /nfs/dbraw/zinc/81/83/06/343818306.db2.gz FFFIXTAJALOUFL-WDEREUQCSA-N 1 1 212.337 0.831 40 0 BCABMO O=Cc1cn([C@@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409426226 343821883 /nfs/dbraw/zinc/82/18/83/343821883.db2.gz OXRRQCLUGUZTEX-LLVKDONJSA-N 1 1 220.276 0.890 40 0 BCABMO CCC[N@H+]1CC[C@H](n2cc(C=O)nn2)C1 ZINC000409426268 343822026 /nfs/dbraw/zinc/82/20/26/343822026.db2.gz PKLRMWZTMKDANO-JTQLQIEISA-N 1 1 208.265 0.747 40 0 BCABMO CNc1cc(N(C)CC(OC)OC)[nH+]c(C)n1 ZINC000409428501 343803786 /nfs/dbraw/zinc/80/37/86/343803786.db2.gz GLGFVMFNFYTYNU-UHFFFAOYSA-N 1 1 240.307 0.882 40 0 BCABMO [NH3+]CCCN1CCC[C@]2(C[C@H](O)CCO2)C1 ZINC000409430723 343808674 /nfs/dbraw/zinc/80/86/74/343808674.db2.gz IXKWAJDLYCPCAJ-NEPJUHHUSA-N 1 1 228.336 0.341 40 0 BCABMO Nc1cc(N2CC(O)C2)[nH+]c(C2CC2)n1 ZINC000383992094 343810436 /nfs/dbraw/zinc/81/04/36/343810436.db2.gz PEBJGHVDRNYLSF-UHFFFAOYSA-N 1 1 206.249 0.117 40 0 BCABMO NCC(=O)N[C@H]1CCC[C@@H]1[NH+]1CCCC1 ZINC000409441190 343855550 /nfs/dbraw/zinc/85/55/50/343855550.db2.gz NSQGPBFSHAZUEP-UWVGGRQHSA-N 1 1 211.309 0.078 40 0 BCABMO OC[C@H]1C[N@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409436367 343838804 /nfs/dbraw/zinc/83/88/04/343838804.db2.gz ZNUGAHIUKRSKPW-LLVKDONJSA-N 1 1 224.348 0.833 40 0 BCABMO [NH3+]Cc1noc([C@@H]([C@@H]2CCOC2)n2cccc2)n1 ZINC000409442496 343858385 /nfs/dbraw/zinc/85/83/85/343858385.db2.gz VZJSLLTZYNRETP-MWLCHTKSSA-N 1 1 248.286 0.956 40 0 BCABMO CNC(=O)C[C@H]1C[N@@H+](C(C)C)Cc2ccnn21 ZINC000585112702 344137187 /nfs/dbraw/zinc/13/71/87/344137187.db2.gz TVHIICQQEKANKY-NSHDSACASA-N 1 1 236.319 0.784 40 0 BCABMO CNC(=O)C[C@H]1C[N@H+](C(C)C)Cc2ccnn21 ZINC000585112702 344137189 /nfs/dbraw/zinc/13/71/89/344137189.db2.gz TVHIICQQEKANKY-NSHDSACASA-N 1 1 236.319 0.784 40 0 BCABMO C[N@@H+](Cc1ccccn1)[C@@H]1CC[C@@H](C(N)=O)[C@@H]1O ZINC000585276627 344398647 /nfs/dbraw/zinc/39/86/47/344398647.db2.gz BUUCSDRPIXZPCB-UTUOFQBUSA-N 1 1 249.314 0.138 40 0 BCABMO CC(C)CCS(=O)(=O)N1CC[NH2+]CC1 ZINC000082628920 345549882 /nfs/dbraw/zinc/54/98/82/345549882.db2.gz AMMQKDKUXKKOAZ-UHFFFAOYSA-N 1 1 220.338 0.268 40 0 BCABMO C[C@@H]1CN(c2ccc(N)c[nH+]2)CC[C@H]1O ZINC000253207638 345625883 /nfs/dbraw/zinc/62/58/83/345625883.db2.gz XZEWZDYOOIDWGW-PSASIEDQSA-N 1 1 207.277 0.871 40 0 BCABMO Nc1cc(N2CCC(CO)CC2)nc[nH+]1 ZINC000082426613 345909110 /nfs/dbraw/zinc/90/91/10/345909110.db2.gz JEUSVANGMGERCM-UHFFFAOYSA-N 1 1 208.265 0.268 40 0 BCABMO COC1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000082426515 345909396 /nfs/dbraw/zinc/90/93/96/345909396.db2.gz QBLFUWUVTQCUNR-UHFFFAOYSA-N 1 1 208.265 0.674 40 0 BCABMO CNc1cc(N2CC[C@@H](O)C2)[nH+]c(C)n1 ZINC000087828614 345940033 /nfs/dbraw/zinc/94/00/33/345940033.db2.gz PEQBZHACGHPMJO-MRVPVSSYSA-N 1 1 208.265 0.398 40 0 BCABMO Cc1nc(N)cc(N2CCSCC2)[nH+]1 ZINC000087806325 345941796 /nfs/dbraw/zinc/94/17/96/345941796.db2.gz BQPGYVIQCNFVBF-UHFFFAOYSA-N 1 1 210.306 0.920 40 0 BCABMO Cc1nc(N)cc(N2CCC[N@@H+](C)CC2)n1 ZINC000087806490 345942382 /nfs/dbraw/zinc/94/23/82/345942382.db2.gz AGEBBCIDQJEVEV-UHFFFAOYSA-N 1 1 221.308 0.509 40 0 BCABMO Cc1nc(N)cc(N2CCC[N@H+](C)CC2)n1 ZINC000087806490 345942384 /nfs/dbraw/zinc/94/23/84/345942384.db2.gz AGEBBCIDQJEVEV-UHFFFAOYSA-N 1 1 221.308 0.509 40 0 BCABMO Nc1nc(N)c(Cc2ccc(O)cc2)c[nH+]1 ZINC000013726693 362801025 /nfs/dbraw/zinc/80/10/25/362801025.db2.gz CEFCYXFPPQNRCK-UHFFFAOYSA-N 1 1 216.244 0.937 40 0 BCABMO C[N@@H+](C1CC1)[C@H]1CCCC[C@H]1NC(=O)C[NH3+] ZINC000101677024 347287858 /nfs/dbraw/zinc/28/78/58/347287858.db2.gz SUSXUPCMBSPIBV-MNOVXSKESA-N 1 1 225.336 0.467 40 0 BCABMO Cc1nn(C)c(F)c1C[NH2+]Cc1ccnn1C ZINC000256054437 180350700 /nfs/dbraw/zinc/35/07/00/180350700.db2.gz WGMIWLIWJGCFQV-UHFFFAOYSA-N 1 1 237.282 0.891 40 0 BCABMO Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](O)C1 ZINC000075135140 180337771 /nfs/dbraw/zinc/33/77/71/180337771.db2.gz IJASTZFFCNZPQM-SNVBAGLBSA-N 1 1 209.293 0.604 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CC[C@@H](CO)C2)C1 ZINC000409422067 350474278 /nfs/dbraw/zinc/47/42/78/350474278.db2.gz AFQDMHBTDBHETB-GHMZBOCLSA-N 1 1 226.320 0.169 40 0 BCABMO O=Cc1cn(C2C[NH+](C3CCCC3)C2)nn1 ZINC000409424658 350475837 /nfs/dbraw/zinc/47/58/37/350475837.db2.gz HOONWXZEFDWLIA-UHFFFAOYSA-N 1 1 220.276 0.890 40 0 BCABMO CO[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@H]1OC ZINC000234987906 350708644 /nfs/dbraw/zinc/70/86/44/350708644.db2.gz NRZHAVVKESUNCN-NXEZZACHSA-N 1 1 223.276 0.514 40 0 BCABMO Cn1cc(C[C@H]2[C@H](O)CC[N@H+]2CC2CC2)cn1 ZINC000096061626 180654602 /nfs/dbraw/zinc/65/46/02/180654602.db2.gz AIIDTYQTBLQQMU-QWHCGFSZSA-N 1 1 235.331 0.808 40 0 BCABMO C[N@H+]1CC[C@H](O)[C@H](Cc2ccccn2)C1 ZINC000252515877 259430706 /nfs/dbraw/zinc/43/07/06/259430706.db2.gz OGGWQOJFGKKYML-PWSUYJOCSA-N 1 1 206.289 0.937 40 0 BCABMO CC(C)N(C)Cc1n[nH]c2c1CC[NH2+]C2 ZINC000306140171 188218478 /nfs/dbraw/zinc/21/84/78/188218478.db2.gz UMFDWGITEFWCEX-UHFFFAOYSA-N 1 1 208.309 0.896 40 0 BCABMO Cc1cc(C(=O)N2CC[N@H+]3CCC[C@@H]3C2)n(C)n1 ZINC000002774849 353477796 /nfs/dbraw/zinc/47/77/96/353477796.db2.gz YYHRAYKIFCZBTB-LLVKDONJSA-N 1 1 248.330 0.649 40 0 BCABMO O=C(C[N@H+]1CCC[C@H](O)C1)NC1CCCCC1 ZINC000047864954 358604944 /nfs/dbraw/zinc/60/49/44/358604944.db2.gz WXFFKXDUNVSVIC-LBPRGKRZSA-N 1 1 240.347 0.892 40 0 BCABMO O=C(C[N@@H+]1CCC[C@H](O)C1)NC1CCCCC1 ZINC000047864954 358604946 /nfs/dbraw/zinc/60/49/46/358604946.db2.gz WXFFKXDUNVSVIC-LBPRGKRZSA-N 1 1 240.347 0.892 40 0 BCABMO NCC(=O)N1CC[NH+](C2CCCCCC2)CC1 ZINC000049829901 181349980 /nfs/dbraw/zinc/34/99/80/181349980.db2.gz VEDXECQSMGHLBT-UHFFFAOYSA-N 1 1 239.363 0.812 40 0 BCABMO NCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404047 181354186 /nfs/dbraw/zinc/35/41/86/181354186.db2.gz UFPNGJVADXICDU-CYBMUJFWSA-N 1 1 247.342 0.726 40 0 BCABMO NCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404047 181354188 /nfs/dbraw/zinc/35/41/88/181354188.db2.gz UFPNGJVADXICDU-CYBMUJFWSA-N 1 1 247.342 0.726 40 0 BCABMO [NH3+]CCCNC(=O)c1c[nH]c2ccccc2c1=O ZINC000035289157 181382222 /nfs/dbraw/zinc/38/22/22/181382222.db2.gz KWOQZIQFVKXEOB-UHFFFAOYSA-N 1 1 245.282 0.607 40 0 BCABMO CC[N@@H+]1CCC[C@@]1(C(=O)N(C)C)c1cnccn1 ZINC000205699065 368359524 /nfs/dbraw/zinc/35/95/24/368359524.db2.gz LEXFGYXRGLRWMV-ZDUSSCGKSA-N 1 1 248.330 0.876 40 0 BCABMO CC[N@H+]1CCC[C@@]1(C(=O)N(C)C)c1cnccn1 ZINC000205699065 368359529 /nfs/dbraw/zinc/35/95/29/368359529.db2.gz LEXFGYXRGLRWMV-ZDUSSCGKSA-N 1 1 248.330 0.876 40 0 BCABMO CN1CC[C@H]([NH3+])[C@H](Cc2ccccn2)C1 ZINC000074188490 369869122 /nfs/dbraw/zinc/86/91/22/369869122.db2.gz KQJHUDOKQYCDRG-PWSUYJOCSA-N 1 1 205.305 0.903 40 0 BCABMO COC(=O)C[C@]1(C(F)(F)F)C[NH2+]CCO1 ZINC000256052598 370637240 /nfs/dbraw/zinc/63/72/40/370637240.db2.gz NYFLLSKLZGQGGH-SSDOTTSWSA-N 1 1 227.182 0.470 40 0 BCABMO COc1cc(C(=O)C[NH3+])cc(OC)c1OC ZINC000040227619 373124949 /nfs/dbraw/zinc/12/49/49/373124949.db2.gz KWZWUFCLUMUDRD-UHFFFAOYSA-N 1 1 225.244 0.854 40 0 BCABMO O[C@@H]1CCC[N@@H+](CCNN2CCCC2)C1 ZINC000019167067 183192375 /nfs/dbraw/zinc/19/23/75/183192375.db2.gz UHASDZPFKAFFQD-LLVKDONJSA-N 1 1 213.325 0.044 40 0 BCABMO O[C@@H]1C[C@H]2C[N@@H+](Cc3ncc[nH]3)C[C@H]2C1 ZINC000257255419 183248600 /nfs/dbraw/zinc/24/86/00/183248600.db2.gz KHKJQSTWSRPNKB-MYJAWHEDSA-N 1 1 207.277 0.612 40 0 BCABMO CCCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000019412898 169201247 /nfs/dbraw/zinc/20/12/47/169201247.db2.gz PCWWYQWRAWULDM-LBPRGKRZSA-N 1 1 239.363 0.540 40 0 BCABMO CC(C)[C@H]([NH3+])C(=O)N(C)[C@@H]1CCCN(C)C1 ZINC000053245645 383846021 /nfs/dbraw/zinc/84/60/21/383846021.db2.gz QFDYLPOYYUJDDZ-MNOVXSKESA-N 1 1 227.352 0.522 40 0 BCABMO CO[C@@H]1CCO[C@@]2(CCC[N@@H+](CCO)C2)C1 ZINC000409434129 383830329 /nfs/dbraw/zinc/83/03/29/383830329.db2.gz ODFDTEUBQDAUTN-NEPJUHHUSA-N 1 1 229.320 0.639 40 0 BCABMO C[N@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000074213478 384032606 /nfs/dbraw/zinc/03/26/06/384032606.db2.gz LVNGQVCPGSXCDU-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO C[NH+](CC(=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000074213478 384032612 /nfs/dbraw/zinc/03/26/12/384032612.db2.gz LVNGQVCPGSXCDU-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO C[NH+](CC(=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000074213478 384032615 /nfs/dbraw/zinc/03/26/15/384032615.db2.gz LVNGQVCPGSXCDU-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO CC[N@@H+](CCO)C[C@H]1CCN(C(C)=O)C1 ZINC000079405341 384133946 /nfs/dbraw/zinc/13/39/46/384133946.db2.gz AHZIIACMAGCNNK-LLVKDONJSA-N 1 1 214.309 0.169 40 0 BCABMO CN(C)[C@@H]1CCCC[C@H]1[N@H+](C)CCO ZINC000079405906 384137966 /nfs/dbraw/zinc/13/79/66/384137966.db2.gz WHNOKDUXQMHHRV-GHMZBOCLSA-N 1 1 200.326 0.783 40 0 BCABMO CN(C)[C@@H]1CCCC[C@H]1[N@@H+](C)CCO ZINC000079405906 384137974 /nfs/dbraw/zinc/13/79/74/384137974.db2.gz WHNOKDUXQMHHRV-GHMZBOCLSA-N 1 1 200.326 0.783 40 0 BCABMO CC[N@@H+](CCO)[C@@H]1CCCN(C(C)=O)C1 ZINC000079405345 384134419 /nfs/dbraw/zinc/13/44/19/384134419.db2.gz PLBXLWGBERAEML-LLVKDONJSA-N 1 1 214.309 0.312 40 0 BCABMO CC(=O)N1CCCC[C@H]1C[N@@H+](CCO)C1CC1 ZINC000079405502 384134516 /nfs/dbraw/zinc/13/45/16/384134516.db2.gz XURCPMJPAHDEMD-ZDUSSCGKSA-N 1 1 240.347 0.844 40 0 BCABMO CC(C)N(C[C@@H]1CCC[N@@H+]1C)C(=O)CN ZINC000079406937 384135621 /nfs/dbraw/zinc/13/56/21/384135621.db2.gz SIGDXOSYLQFYOU-JTQLQIEISA-N 1 1 213.325 0.276 40 0 BCABMO CC(C)N(C[C@@H]1CCC[N@H+]1C)C(=O)CN ZINC000079406937 384135627 /nfs/dbraw/zinc/13/56/27/384135627.db2.gz SIGDXOSYLQFYOU-JTQLQIEISA-N 1 1 213.325 0.276 40 0 BCABMO CC(=O)N1CCC([N@H+](CCN)C2CC2)CC1 ZINC000079405750 384137048 /nfs/dbraw/zinc/13/70/48/384137048.db2.gz CMMJDKJINMJYRA-UHFFFAOYSA-N 1 1 225.336 0.420 40 0 BCABMO CC(=O)N1CCC([N@@H+](CCN)C2CC2)CC1 ZINC000079405750 384137051 /nfs/dbraw/zinc/13/70/51/384137051.db2.gz CMMJDKJINMJYRA-UHFFFAOYSA-N 1 1 225.336 0.420 40 0 BCABMO CN(C)[C@H]1CCCC[C@H]1[N@H+](C)CCO ZINC000079405911 384138130 /nfs/dbraw/zinc/13/81/30/384138130.db2.gz WHNOKDUXQMHHRV-WDEREUQCSA-N 1 1 200.326 0.783 40 0 BCABMO CN(C)[C@H]1CCCC[C@H]1[N@@H+](C)CCO ZINC000079405911 384138135 /nfs/dbraw/zinc/13/81/35/384138135.db2.gz WHNOKDUXQMHHRV-WDEREUQCSA-N 1 1 200.326 0.783 40 0 BCABMO CC[N@H+](CCN)C[C@H]1CCN(C(C)=O)C1 ZINC000079405612 384132248 /nfs/dbraw/zinc/13/22/48/384132248.db2.gz QGYIZIMERZDLTK-LLVKDONJSA-N 1 1 213.325 0.135 40 0 BCABMO CC[N@@H+](CCN)C[C@H]1CCN(C(C)=O)C1 ZINC000079405612 384132252 /nfs/dbraw/zinc/13/22/52/384132252.db2.gz QGYIZIMERZDLTK-LLVKDONJSA-N 1 1 213.325 0.135 40 0 BCABMO CC(=O)N1CCC([N@@H+](CCO)C2CC2)CC1 ZINC000079405496 384132735 /nfs/dbraw/zinc/13/27/35/384132735.db2.gz OHHSYEGPHNDLFR-UHFFFAOYSA-N 1 1 226.320 0.454 40 0 BCABMO COc1nccnc1C[N@H+](CCO)C(C)C ZINC000079422262 384146819 /nfs/dbraw/zinc/14/68/19/384146819.db2.gz LUZBKDOBWJLEAY-UHFFFAOYSA-N 1 1 225.292 0.688 40 0 BCABMO COc1nccnc1C[N@@H+](CCO)C(C)C ZINC000079422262 384146820 /nfs/dbraw/zinc/14/68/20/384146820.db2.gz LUZBKDOBWJLEAY-UHFFFAOYSA-N 1 1 225.292 0.688 40 0 BCABMO CCOC(=O)[C@H](CN)C(C)(C)[NH+](C)C ZINC000072210405 384153488 /nfs/dbraw/zinc/15/34/88/384153488.db2.gz BRKZOWNHUFOYFC-QMMMGPOBSA-N 1 1 202.298 0.465 40 0 BCABMO Nc1[nH+]cnc2c1ccn2[C@H]1CC[C@@H](CO)O1 ZINC000005932827 384138264 /nfs/dbraw/zinc/13/82/64/384138264.db2.gz IMONOBVOMFRFGW-IONNQARKSA-N 1 1 234.259 0.683 40 0 BCABMO CC(=O)N(C)C[C@@H]1CCCC[N@H+]1CCO ZINC000079416379 384138922 /nfs/dbraw/zinc/13/89/22/384138922.db2.gz RPVIIPWRQZPSBB-NSHDSACASA-N 1 1 214.309 0.312 40 0 BCABMO CC(=O)N(C(C)C)[C@H]1CC[N@@H+](CCO)C1 ZINC000079416488 384138970 /nfs/dbraw/zinc/13/89/70/384138970.db2.gz KFWPLYOPZVHTDR-NSHDSACASA-N 1 1 214.309 0.310 40 0 BCABMO CC(=O)N(C[C@@H]1CCC[N@@H+](CCO)C1)C1CC1 ZINC000079416591 384138992 /nfs/dbraw/zinc/13/89/92/384138992.db2.gz GEECQJQALSBKJK-GFCCVEGCSA-N 1 1 240.347 0.702 40 0 BCABMO CC(=O)N(C[C@H]1CC[N@@H+](CCO)C1)C1CC1 ZINC000079416567 384139873 /nfs/dbraw/zinc/13/98/73/384139873.db2.gz LKJQLTKRYSTRDE-NSHDSACASA-N 1 1 226.320 0.312 40 0 BCABMO CCN(C[C@H]1CCC[N@H+]1CCO)C(C)=O ZINC000079416422 384140507 /nfs/dbraw/zinc/14/05/07/384140507.db2.gz ZSFKYZAOEDOESY-LLVKDONJSA-N 1 1 214.309 0.312 40 0 BCABMO CCN(C[C@H]1CC[N@@H+](CCO)C1)C(C)=O ZINC000079416431 384140588 /nfs/dbraw/zinc/14/05/88/384140588.db2.gz SKPJKDCSHARHNS-NSHDSACASA-N 1 1 214.309 0.169 40 0 BCABMO C[N@@H+](C[C@@H]1CC[NH+](CC(=O)[O-])C1)C1CC1 ZINC000079419776 384144162 /nfs/dbraw/zinc/14/41/62/384144162.db2.gz LHSFHHQBDTZITQ-VIFPVBQESA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+](C[C@@H]1CC[N@H+](CC(=O)[O-])C1)C1CC1 ZINC000079419776 384144165 /nfs/dbraw/zinc/14/41/65/384144165.db2.gz LHSFHHQBDTZITQ-VIFPVBQESA-N 1 1 212.293 0.487 40 0 BCABMO C[NH+](C[C@@H]1CC[N@@H+](CC(=O)[O-])C1)C1CC1 ZINC000079419776 384144169 /nfs/dbraw/zinc/14/41/69/384144169.db2.gz LHSFHHQBDTZITQ-VIFPVBQESA-N 1 1 212.293 0.487 40 0 BCABMO CC(C)[N@@H+](C)C[C@@H]1CCCN1CCO ZINC000079418470 384144969 /nfs/dbraw/zinc/14/49/69/384144969.db2.gz UWFIBDJKPMJHLO-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(C)C[C@@H]1CCC[N@@H+]1CCO ZINC000079418470 384144971 /nfs/dbraw/zinc/14/49/71/384144971.db2.gz UWFIBDJKPMJHLO-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(C)C[C@@H]1CCC[N@H+]1CCO ZINC000079418470 384144976 /nfs/dbraw/zinc/14/49/76/384144976.db2.gz UWFIBDJKPMJHLO-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO Cc1cncc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072356888 384210738 /nfs/dbraw/zinc/21/07/38/384210738.db2.gz ACAKCJQKDYCKRX-NSHDSACASA-N 1 1 207.277 0.914 40 0 BCABMO CNc1nccnc1[C@H]1CCC[N@H+]1CCO ZINC000072356891 384210911 /nfs/dbraw/zinc/21/09/11/384210911.db2.gz WZFVCJZVYFXJGV-SECBINFHSA-N 1 1 222.292 0.648 40 0 BCABMO COC[C@H]1CN(c2cnccn2)CC[N@@H+](C)C1 ZINC000072376704 384215890 /nfs/dbraw/zinc/21/58/90/384215890.db2.gz JNEPQZRALDTSKB-LLVKDONJSA-N 1 1 236.319 0.491 40 0 BCABMO Cn1cc(C[N@H+]2CC[C@H](c3nncn3C)C2)cn1 ZINC000072382267 384220666 /nfs/dbraw/zinc/22/06/66/384220666.db2.gz STXXLJLAJOJGEI-NSHDSACASA-N 1 1 246.318 0.538 40 0 BCABMO CN1C(=O)c2cccnc2O[C@H]2C[N@@H+](C)C[C@H]21 ZINC000514289813 384400183 /nfs/dbraw/zinc/40/01/83/384400183.db2.gz OVNDVVRHCMGLTM-ZJUUUORDSA-N 1 1 233.271 0.229 40 0 biogenic,in-vitro BCABMO CN1C(=O)c2cccnc2O[C@H]2C[N@H+](C)C[C@H]21 ZINC000514289813 384400191 /nfs/dbraw/zinc/40/01/91/384400191.db2.gz OVNDVVRHCMGLTM-ZJUUUORDSA-N 1 1 233.271 0.229 40 0 biogenic,in-vitro BCABMO CN1C(=O)C[C@@H]2[C@@H]1CC[N@@H+]2Cc1nccs1 ZINC000096246011 384446858 /nfs/dbraw/zinc/44/68/58/384446858.db2.gz PVJXXKKCPHJZKD-DTWKUNHWSA-N 1 1 237.328 0.948 40 0 BCABMO CN1C(=O)C[C@@H]2[C@@H]1CC[N@H+]2Cc1nccs1 ZINC000096246011 384446863 /nfs/dbraw/zinc/44/68/63/384446863.db2.gz PVJXXKKCPHJZKD-DTWKUNHWSA-N 1 1 237.328 0.948 40 0 BCABMO CN1c2ccccc2[C@@]2(CC[N@@H+](CCO)C2)C1=O ZINC000096244816 384446884 /nfs/dbraw/zinc/44/68/84/384446884.db2.gz PEJIYMQEVMLLAD-AWEZNQCLSA-N 1 1 246.310 0.599 40 0 BCABMO O=C1Nc2ccccc2[C@]12CC[N@H+](CCO)C2 ZINC000096080462 384434964 /nfs/dbraw/zinc/43/49/64/384434964.db2.gz UHPSWDWQRVUDJC-CYBMUJFWSA-N 1 1 232.283 0.575 40 0 BCABMO O=C1NCC[C@@H]2C[N@@H+](Cc3ccoc3)C[C@@H]12 ZINC000096094271 384435085 /nfs/dbraw/zinc/43/50/85/384435085.db2.gz QNPGOMXWJYATHN-GHMZBOCLSA-N 1 1 220.272 0.848 40 0 BCABMO CC(C)CC[N@@H+]1CCn2c(CO)nnc2C1 ZINC000096084405 384435805 /nfs/dbraw/zinc/43/58/05/384435805.db2.gz OTDYVRGAVYPUST-UHFFFAOYSA-N 1 1 224.308 0.632 40 0 BCABMO CC(C)CC[N@H+]1CCn2c(CO)nnc2C1 ZINC000096084405 384435812 /nfs/dbraw/zinc/43/58/12/384435812.db2.gz OTDYVRGAVYPUST-UHFFFAOYSA-N 1 1 224.308 0.632 40 0 BCABMO Cn1cc(C[N@H+]2CC[C@@H]3[C@H]2CCC(=O)N3C)cn1 ZINC000096186193 384440800 /nfs/dbraw/zinc/44/08/00/384440800.db2.gz ICKNTHWIYQKLOZ-VXGBXAGGSA-N 1 1 248.330 0.615 40 0 BCABMO CCOC(=O)/C=C\SC[C@H]([NH3+])C(=O)OCC ZINC000016982301 384477087 /nfs/dbraw/zinc/47/70/87/384477087.db2.gz WAQZWXSTDNAFTQ-SLGIHZDVSA-N 1 1 247.316 0.687 40 0 BCABMO CCN(C[C@H]1CCC[N@@H+](CCO)C1)C(C)=O ZINC000079416456 384496110 /nfs/dbraw/zinc/49/61/10/384496110.db2.gz DHOPRZQTHZKBBG-LBPRGKRZSA-N 1 1 228.336 0.559 40 0 BCABMO COC[C@H]1CN(C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000095627113 385083832 /nfs/dbraw/zinc/08/38/32/385083832.db2.gz QBJWNCXOPXVECA-SECBINFHSA-N 1 1 230.308 0.842 40 0 BCABMO CN(C)[C@@H](c1ccccc1)[C@H](C[NH3+])CO ZINC000072210322 385068272 /nfs/dbraw/zinc/06/82/72/385068272.db2.gz DRTRPLQLKVCVGO-NEPJUHHUSA-N 1 1 208.305 0.857 40 0 BCABMO CN(C)[C@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210321 385068683 /nfs/dbraw/zinc/06/86/83/385068683.db2.gz DRTRPLQLKVCVGO-NWDGAFQWSA-N 1 1 208.305 0.857 40 0 BCABMO COc1ccc([C@@H]2[C@H]([NH3+])C(=O)N2C)cc1OC ZINC000072228258 385127407 /nfs/dbraw/zinc/12/74/07/385127407.db2.gz PPRBDPCRCSBCOK-WDEREUQCSA-N 1 1 236.271 0.544 40 0 BCABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2C)cc1OC ZINC000072228259 385128367 /nfs/dbraw/zinc/12/83/67/385128367.db2.gz PPRBDPCRCSBCOK-QWRGUYRKSA-N 1 1 236.271 0.544 40 0 BCABMO CC(=O)N1CCC(c2nc(C[NH3+])no2)CC1 ZINC000096511477 385252337 /nfs/dbraw/zinc/25/23/37/385252337.db2.gz ORGRGKPWEQRVRK-UHFFFAOYSA-N 1 1 224.264 0.254 40 0 BCABMO CC[N@H+](CCn1c(C)csc1=O)CC(N)=O ZINC000191704723 385316992 /nfs/dbraw/zinc/31/69/92/385316992.db2.gz FKSFTUKLLVYKID-UHFFFAOYSA-N 1 1 243.332 0.025 40 0 BCABMO CC[N@@H+](CCn1c(C)csc1=O)CC(N)=O ZINC000191704723 385316998 /nfs/dbraw/zinc/31/69/98/385316998.db2.gz FKSFTUKLLVYKID-UHFFFAOYSA-N 1 1 243.332 0.025 40 0 BCABMO CCCCN(CC)C(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000157451930 385321135 /nfs/dbraw/zinc/32/11/35/385321135.db2.gz FCGNXSBRUAEWKR-LBPRGKRZSA-N 1 1 242.363 0.949 40 0 BCABMO [NH3+][C@@H]1CCN(Cc2cc(C3CC3)[nH]n2)C1 ZINC000096523518 385268743 /nfs/dbraw/zinc/26/87/43/385268743.db2.gz JRQPRKIUYFCDNL-SECBINFHSA-N 1 1 206.293 0.820 40 0 BCABMO CS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1ccccc1F ZINC000096525086 385277862 /nfs/dbraw/zinc/27/78/62/385277862.db2.gz KAWJVXRESWLKML-UWVGGRQHSA-N 1 1 247.291 0.231 40 0 BCABMO CS(=O)(=O)[C@@H](CO)[C@@H]([NH3+])c1ccc(F)cc1 ZINC000096525077 385278245 /nfs/dbraw/zinc/27/82/45/385278245.db2.gz RSZALAAEUOFLCH-UWVGGRQHSA-N 1 1 247.291 0.231 40 0 BCABMO CCN(CC)CC[NH2+]Cc1cnc(NC)nc1 ZINC000062718392 385727584 /nfs/dbraw/zinc/72/75/84/385727584.db2.gz QWPIZXLYDIWVRN-UHFFFAOYSA-N 1 1 237.351 0.950 40 0 BCABMO Cn1ccnc1C[N@H+]1C[C@@H]2C[C@@H](O)C[C@@H]2C1 ZINC000257343997 385767793 /nfs/dbraw/zinc/76/77/93/385767793.db2.gz ZVIOXYWQRHBHCZ-URLYPYJESA-N 1 1 221.304 0.623 40 0 BCABMO CC(C)Nc1ncc(CNCC[NH+](C)C)cn1 ZINC000062718442 385726087 /nfs/dbraw/zinc/72/60/87/385726087.db2.gz ZZAPRWSTQLYDQF-UHFFFAOYSA-N 1 1 237.351 0.948 40 0 BCABMO CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H]1CO ZINC000096523458 385797316 /nfs/dbraw/zinc/79/73/16/385797316.db2.gz KMGUHEOVXWBQHK-GHMZBOCLSA-N 1 1 200.326 0.817 40 0 BCABMO C[N@@H+](CCO)Cc1cccc2c1OCCO2 ZINC000058907635 386471316 /nfs/dbraw/zinc/47/13/16/386471316.db2.gz UTIKHANRNHXUCL-UHFFFAOYSA-N 1 1 223.272 0.882 40 0 BCABMO COC(=O)[C@@H]([NH3+])Cn1cc(Cl)cn1 ZINC000045436773 386775142 /nfs/dbraw/zinc/77/51/42/386775142.db2.gz FARZUHFTCDEAOG-LURJTMIESA-N 1 1 203.629 0.037 40 0 BCABMO CCOC(=O)[C@H]([NH3+])CCC(=O)c1ccn(C)n1 ZINC000575410818 387014993 /nfs/dbraw/zinc/01/49/93/387014993.db2.gz CNSPBXQNUGOKNE-MRVPVSSYSA-N 1 1 239.275 0.273 40 0 BCABMO CCn1cc(-c2noc([C@H](C)[NH3+])n2)cn1 ZINC000575410733 387015115 /nfs/dbraw/zinc/01/51/15/387015115.db2.gz DGSDEPOXMZAQIO-LURJTMIESA-N 1 1 207.237 0.973 40 0 BCABMO O[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC000098181529 387471483 /nfs/dbraw/zinc/47/14/83/387471483.db2.gz SQZLCDHCXXQFNQ-GFCCVEGCSA-N 1 1 207.273 0.880 40 0 biogenic,in-vitro BCABMO C[N@H+]1CC[C@@H](O)[C@H](Cc2cccnc2)C1 ZINC000243497350 388404172 /nfs/dbraw/zinc/40/41/72/388404172.db2.gz NTKKSPNSFJHPJY-VXGBXAGGSA-N 1 1 206.289 0.937 40 0 BCABMO Nc1n[nH]c([C@@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533360 388778017 /nfs/dbraw/zinc/77/80/17/388778017.db2.gz JKGYPNWFPOMWJG-ZETCQYMHSA-N 1 1 207.212 0.574 40 0 BCABMO Cc1nc(C)c(C[N@H+]2CCOC[C@H](O)C2)s1 ZINC000096296504 388814646 /nfs/dbraw/zinc/81/46/46/388814646.db2.gz MHGGACJIWLUAOC-SNVBAGLBSA-N 1 1 242.344 0.953 40 0 biogenic,in-vitro BCABMO CC[N@@H+](CCO)C[C@@H]1CCN(C(C)=O)C1 ZINC000079405336 169855371 /nfs/dbraw/zinc/85/53/71/169855371.db2.gz AHZIIACMAGCNNK-NSHDSACASA-N 1 1 214.309 0.169 40 0 BCABMO Cc1cc(N)nc(N2CC[NH+](C)CC2)n1 ZINC000050845172 132359603 /nfs/dbraw/zinc/35/96/03/132359603.db2.gz DJOBNETYAZXHOH-UHFFFAOYSA-N 1 1 207.281 0.119 40 0 BCABMO CC1CCC(O)(C[N@@H+]2CC[C@H](N)C2)CC1 ZINC000096511428 168167502 /nfs/dbraw/zinc/16/75/02/168167502.db2.gz SRGPEYUUUDNDMZ-CXQJBGSLSA-N 1 1 212.337 0.961 40 0 BCABMO CC1CCC(O)(C[N@H+]2CC[C@H](N)C2)CC1 ZINC000096511428 168167505 /nfs/dbraw/zinc/16/75/05/168167505.db2.gz SRGPEYUUUDNDMZ-CXQJBGSLSA-N 1 1 212.337 0.961 40 0 BCABMO CCOC(=O)[C@]1([NH3+])CC[C@@H](S(=O)(=O)CC)C1 ZINC000217946887 170285815 /nfs/dbraw/zinc/28/58/15/170285815.db2.gz VPCNWNDEEMUHBV-SCZZXKLOSA-N 1 1 249.332 0.234 40 0 BCABMO CCOC(CNc1cc(N)[nH+]cn1)OCC ZINC000409432867 411708675 /nfs/dbraw/zinc/70/86/75/411708675.db2.gz YJASECVVZDPGIZ-UHFFFAOYSA-N 1 1 226.280 0.870 40 0 BCABMO CCOC(CNc1cc(N)nc[nH+]1)OCC ZINC000409432867 411708683 /nfs/dbraw/zinc/70/86/83/411708683.db2.gz YJASECVVZDPGIZ-UHFFFAOYSA-N 1 1 226.280 0.870 40 0 BCABMO CCc1[nH+]c(N)ccc1[C@@H]1CNC(=O)C1 ZINC000199781754 171995756 /nfs/dbraw/zinc/99/57/56/171995756.db2.gz DHVHXGSQGBWRHR-ZETCQYMHSA-N 1 1 205.261 0.830 40 0 BCABMO C[N@@H+]1CCCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079407054 173007024 /nfs/dbraw/zinc/00/70/24/173007024.db2.gz UKPGQPMLRMFOQH-NSHDSACASA-N 1 1 225.336 0.420 40 0 BCABMO C[N@H+]1CCCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079407054 173007027 /nfs/dbraw/zinc/00/70/27/173007027.db2.gz UKPGQPMLRMFOQH-NSHDSACASA-N 1 1 225.336 0.420 40 0 BCABMO C[N@H+]1CCC[C@H](CNC(=S)NC2CC2)C1 ZINC000009876492 173041776 /nfs/dbraw/zinc/04/17/76/173041776.db2.gz LQAYTLJZUGVEFA-SECBINFHSA-N 1 1 227.377 0.955 40 0 BCABMO CN1CC[N@@H+](CCC(N)=O)C[C@@H]1c1ccccc1 ZINC000257223327 173078672 /nfs/dbraw/zinc/07/86/72/173078672.db2.gz DWWJBBWYQHEKJM-CYBMUJFWSA-N 1 1 247.342 0.851 40 0 BCABMO C[N@@H+]1CCN(CCC(N)=O)C[C@@H]1c1ccccc1 ZINC000257223327 173078674 /nfs/dbraw/zinc/07/86/74/173078674.db2.gz DWWJBBWYQHEKJM-CYBMUJFWSA-N 1 1 247.342 0.851 40 0 BCABMO C[N@H+]1CCN(CCC(N)=O)C[C@@H]1c1ccccc1 ZINC000257223327 173078676 /nfs/dbraw/zinc/07/86/76/173078676.db2.gz DWWJBBWYQHEKJM-CYBMUJFWSA-N 1 1 247.342 0.851 40 0 BCABMO CN1CCN(Cc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019431100 173088121 /nfs/dbraw/zinc/08/81/21/173088121.db2.gz ALCQHFFVVLFOOA-UHFFFAOYSA-N 1 1 232.331 0.718 40 0 BCABMO C[NH+]1CCN(Cc2nnnn2C(C)(C)C)CC1 ZINC000020121079 173090557 /nfs/dbraw/zinc/09/05/57/173090557.db2.gz VCMQTULFDJSXAV-UHFFFAOYSA-N 1 1 238.339 0.176 40 0 BCABMO C[N@H+]1CCO[C@@H](N2CCOCC2)C(C)(C)C1 ZINC000031771621 173103250 /nfs/dbraw/zinc/10/32/50/173103250.db2.gz BYVNEBGBBCYIQI-LLVKDONJSA-N 1 1 228.336 0.633 40 0 BCABMO C[N@H+]1CC[C@@H](c2cc(CCO)ncn2)C1 ZINC000072383154 173128574 /nfs/dbraw/zinc/12/85/74/173128574.db2.gz UINSGVJDOIQFCN-SECBINFHSA-N 1 1 207.277 0.431 40 0 BCABMO CN1CCCC[C@H]1c1nnc2n1CC[N@H+](C)C2 ZINC000072374026 173175885 /nfs/dbraw/zinc/17/58/85/173175885.db2.gz RRKZRJNFAYRMEE-JTQLQIEISA-N 1 1 235.335 0.880 40 0 BCABMO C[N@H+]1C[C@@H]2c3ccccc3N[C@@H]2[C@H](O)C1 ZINC000003847380 173190724 /nfs/dbraw/zinc/19/07/24/173190724.db2.gz LZVSIYWYYWXNDN-JLLWLGSASA-N 1 1 204.273 0.871 40 0 BCABMO C[N@H+]1[C@@H]2CC[C@H]1CC(n1cc(CN)nn1)C2 ZINC000095096504 173206483 /nfs/dbraw/zinc/20/64/83/173206483.db2.gz YVUBVZVZPUXDJT-ZACCUICWSA-N 1 1 221.308 0.535 40 0 BCABMO C[N@@H+]1[C@@H]2CC[C@H]1CC(n1cc(CN)nn1)C2 ZINC000095096504 173206485 /nfs/dbraw/zinc/20/64/85/173206485.db2.gz YVUBVZVZPUXDJT-ZACCUICWSA-N 1 1 221.308 0.535 40 0 BCABMO CNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCN1 ZINC000072343368 173300206 /nfs/dbraw/zinc/30/02/06/173300206.db2.gz AAMKNTZLEQBOHU-LBPRGKRZSA-N 1 1 233.315 0.206 40 0 BCABMO CNC(=O)[C@@H]1CN(Cc2ccccc2)CC[NH2+]1 ZINC000072343368 173300207 /nfs/dbraw/zinc/30/02/07/173300207.db2.gz AAMKNTZLEQBOHU-LBPRGKRZSA-N 1 1 233.315 0.206 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](CCc2ccccc2)CCN1 ZINC000072343371 173308320 /nfs/dbraw/zinc/30/83/20/173308320.db2.gz KZZKZJMGUULACR-CYBMUJFWSA-N 1 1 247.342 0.249 40 0 BCABMO C[NH2+]CC(=O)N1CCC[C@H]1c1[nH]ncc1C ZINC000072361459 173326304 /nfs/dbraw/zinc/32/63/04/173326304.db2.gz YAHYLCDAHSHAMX-VIFPVBQESA-N 1 1 222.292 0.601 40 0 BCABMO COCCCNC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC000096629266 174244354 /nfs/dbraw/zinc/24/43/54/174244354.db2.gz QRENVXGTRJUYRF-JTQLQIEISA-N 1 1 214.309 0.481 40 0 BCABMO COCC[N@@H+]1CC[C@H]1c1cc(N)nc(C)n1 ZINC000072387437 174315622 /nfs/dbraw/zinc/31/56/22/174315622.db2.gz FAPUGYSSRSQIOZ-JTQLQIEISA-N 1 1 222.292 0.760 40 0 BCABMO COCC[N@H+]1CC[C@H]1c1cc(N)nc(C)n1 ZINC000072387437 174315624 /nfs/dbraw/zinc/31/56/24/174315624.db2.gz FAPUGYSSRSQIOZ-JTQLQIEISA-N 1 1 222.292 0.760 40 0 BCABMO C[C@@H]1C(=O)NC[C@H]2C[N@H+](CC3CC3)C[C@H]21 ZINC000096100082 176047562 /nfs/dbraw/zinc/04/75/62/176047562.db2.gz AYOJNLSDYPTDQB-LSJOCFKGSA-N 1 1 208.305 0.710 40 0 BCABMO C[C@@H]1CCCC[N@H+]1CCCNC(N)=N[N+](=O)[O-] ZINC000001579519 176070860 /nfs/dbraw/zinc/07/08/60/176070860.db2.gz YNAHNDIYSDPLRC-SECBINFHSA-N 1 1 243.311 0.557 40 0 BCABMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@@H+]1CCO ZINC000079419834 176253015 /nfs/dbraw/zinc/25/30/15/176253015.db2.gz CCHOYSOSPICUMZ-SNVBAGLBSA-N 1 1 244.335 0.920 40 0 BCABMO C[C@@H]1CN(C(=O)OC(C)(C)C)CC[N@H+]1CCO ZINC000079419834 176253017 /nfs/dbraw/zinc/25/30/17/176253017.db2.gz CCHOYSOSPICUMZ-SNVBAGLBSA-N 1 1 244.335 0.920 40 0 BCABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1cccn1C ZINC000072397672 176324901 /nfs/dbraw/zinc/32/49/01/176324901.db2.gz JNZVIYABDNXLCR-MRVWCRGKSA-N 1 1 249.358 0.664 40 0 BCABMO O=C(CO)OC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005480371 490192924 /nfs/dbraw/zinc/19/29/24/490192924.db2.gz WIHLNPZFQPHKLF-MNOVXSKESA-N 1 1 227.304 0.786 40 0 BCABMO CC(C)CN1CCN(C(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000062115227 490396343 /nfs/dbraw/zinc/39/63/43/490396343.db2.gz WQSMZLVPECFIOL-LBPRGKRZSA-N 1 1 239.363 0.396 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](C)CCO)CC1 ZINC000242547682 519701197 /nfs/dbraw/zinc/70/11/97/519701197.db2.gz KRXCTBFKBHRNGO-XYPYZODXSA-N 1 1 214.309 0.358 40 0 BCABMO O=c1ccnc(N2CC[N@H+]3CCC[C@@H]3C2)[nH]1 ZINC000072207554 259315148 /nfs/dbraw/zinc/31/51/48/259315148.db2.gz JMXXAQYGEFKPCR-SECBINFHSA-N 1 1 220.276 0.467 40 0 BCABMO CC[NH+](CC)[C@H](C(C)C)[C@H](CN)CO ZINC000072210608 259317142 /nfs/dbraw/zinc/31/71/42/259317142.db2.gz YWNMXCHZESQTCM-GHMZBOCLSA-N 1 1 202.342 0.920 40 0 BCABMO CC[NH+](CC)[C@@H](C(C)C)[C@H](CN)CO ZINC000072210607 259317459 /nfs/dbraw/zinc/31/74/59/259317459.db2.gz YWNMXCHZESQTCM-MNOVXSKESA-N 1 1 202.342 0.920 40 0 BCABMO Cc1cc(CCO)c[nH+]c1N1CCOCC1 ZINC000072222522 259320246 /nfs/dbraw/zinc/32/02/46/259320246.db2.gz AMJIQNVIWPHERD-UHFFFAOYSA-N 1 1 222.288 0.761 40 0 BCABMO CCN1CCN(c2ncc(C[NH3+])cc2C)CC1 ZINC000072222581 259320873 /nfs/dbraw/zinc/32/08/73/259320873.db2.gz GKJXXSOKXATSNG-UHFFFAOYSA-N 1 1 234.347 0.991 40 0 BCABMO CC[NH+]1CCN(C(=O)c2cnc(C)nc2C)CC1 ZINC000019937109 342963570 /nfs/dbraw/zinc/96/35/70/342963570.db2.gz ATAFBXMTASJISA-UHFFFAOYSA-N 1 1 248.330 0.871 40 0 BCABMO CCOC(=O)/C=C/SC[C@H]([NH3+])C(=O)OCC ZINC000031947724 343226549 /nfs/dbraw/zinc/22/65/49/343226549.db2.gz WAQZWXSTDNAFTQ-GJIOHYHPSA-N 1 1 247.316 0.687 40 0 BCABMO CCOC(=O)/C=C/SC[C@@H]([NH3+])C(=O)OCC ZINC000031947721 343226599 /nfs/dbraw/zinc/22/65/99/343226599.db2.gz WAQZWXSTDNAFTQ-HQZHTGGTSA-N 1 1 247.316 0.687 40 0 BCABMO CC(C)CN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1 ZINC000019687865 343774017 /nfs/dbraw/zinc/77/40/17/343774017.db2.gz XKKRDNRDNFQFOS-GFCCVEGCSA-N 1 1 239.363 0.539 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc2c(c1)OCO2 ZINC000096526018 343759892 /nfs/dbraw/zinc/75/98/92/343759892.db2.gz AUTQCVXYWUBPHR-QWRGUYRKSA-N 1 1 234.255 0.646 40 0 BCABMO COC(=O)c1cc(N2CC[NH+](C)CC2)ncn1 ZINC000409428078 343802511 /nfs/dbraw/zinc/80/25/11/343802511.db2.gz LPSHGQZUCNNDDF-UHFFFAOYSA-N 1 1 236.275 0.015 40 0 BCABMO OCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000040452392 343783980 /nfs/dbraw/zinc/78/39/80/343783980.db2.gz AASBNVINWUUUPH-UHFFFAOYSA-N 1 1 207.277 0.196 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886740 343788988 /nfs/dbraw/zinc/78/89/88/343788988.db2.gz YEHVKLYOFUEHLC-NSHDSACASA-N 1 1 228.336 0.463 40 0 BCABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000216418928 343792701 /nfs/dbraw/zinc/79/27/01/343792701.db2.gz DIDROFKUGWAWMA-NWDGAFQWSA-N 1 1 240.347 0.844 40 0 BCABMO C[C@H](O)C1CCN(C2CC[NH2+]CC2)CC1 ZINC000235542130 343795460 /nfs/dbraw/zinc/79/54/60/343795460.db2.gz HJUIWAAMAQUJHH-JTQLQIEISA-N 1 1 212.337 0.831 40 0 BCABMO CN1CCN(c2cncc(C[NH3+])c2)CC1 ZINC000238316666 343796173 /nfs/dbraw/zinc/79/61/73/343796173.db2.gz TUSIYOYXAFOTHQ-UHFFFAOYSA-N 1 1 206.293 0.292 40 0 BCABMO OCC[N@@H+]1C[C@H](C(F)(F)F)[C@H](CO)C1 ZINC000409427449 343801165 /nfs/dbraw/zinc/80/11/65/343801165.db2.gz FGPFAMPQUDWWII-BQBZGAKWSA-N 1 1 213.199 0.081 40 0 BCABMO COC(=O)[C@@H]1C[N@H+](C2CCCC2)CC[C@@H]1O ZINC000409422259 343813455 /nfs/dbraw/zinc/81/34/55/343813455.db2.gz DEMWJRBPSZXVEM-MNOVXSKESA-N 1 1 227.304 0.785 40 0 BCABMO COC(=O)[C@H]1C[N@H+](C(C)(C)C)CC[C@@H]1O ZINC000409423099 343814760 /nfs/dbraw/zinc/81/47/60/343814760.db2.gz ORRPEJZGYDZXNJ-IUCAKERBSA-N 1 1 215.293 0.641 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000409424243 343817237 /nfs/dbraw/zinc/81/72/37/343817237.db2.gz TXCRGBKTKQMDLX-NSHDSACASA-N 1 1 228.336 0.559 40 0 BCABMO Nc1ccc[nH+]c1N1C[C@@H]2COC[C@H]2C1 ZINC000409425658 343820411 /nfs/dbraw/zinc/82/04/11/343820411.db2.gz GJUJJOQFUIERJQ-RKDXNWHRSA-N 1 1 205.261 0.746 40 0 BCABMO OCc1cn([C@@H]2CCC[N@H+](CCF)C2)nn1 ZINC000409425865 343820811 /nfs/dbraw/zinc/82/08/11/343820811.db2.gz NMKZEBIQAUKRHD-SNVBAGLBSA-N 1 1 228.271 0.377 40 0 BCABMO OCc1cn([C@@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000409425865 343820813 /nfs/dbraw/zinc/82/08/13/343820813.db2.gz NMKZEBIQAUKRHD-SNVBAGLBSA-N 1 1 228.271 0.377 40 0 BCABMO CCC[N@H+]1CC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409425894 343820978 /nfs/dbraw/zinc/82/09/78/343820978.db2.gz NTRBDLMCHGHNBD-SNVBAGLBSA-N 1 1 222.292 0.823 40 0 BCABMO C[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@H]1CO ZINC000409426123 343821559 /nfs/dbraw/zinc/82/15/59/343821559.db2.gz HNYMMANAGANPPE-BDAKNGLRSA-N 1 1 207.277 0.728 40 0 BCABMO CCC[N@H+]1CC[C@@H](n2cc(C=O)nn2)C1 ZINC000409426274 343822084 /nfs/dbraw/zinc/82/20/84/343822084.db2.gz PKLRMWZTMKDANO-SNVBAGLBSA-N 1 1 208.265 0.747 40 0 BCABMO O[C@@H]1CCO[C@@]2(CCN(C3CC[NH2+]CC3)C2)C1 ZINC000409432020 343825311 /nfs/dbraw/zinc/82/53/11/343825311.db2.gz KNFZAUSMOIKRHA-OLZOCXBDSA-N 1 1 240.347 0.354 40 0 BCABMO [NH3+]CCCN1CCC2(CC1)C[C@H](O)CCO2 ZINC000409429665 343806133 /nfs/dbraw/zinc/80/61/33/343806133.db2.gz PCPHYRSXUVYRFY-LLVKDONJSA-N 1 1 228.336 0.341 40 0 BCABMO [NH3+]CCCN1CCC[C@@]2(C[C@H](O)CCO2)C1 ZINC000409430730 343809016 /nfs/dbraw/zinc/80/90/16/343809016.db2.gz IXKWAJDLYCPCAJ-VXGBXAGGSA-N 1 1 228.336 0.341 40 0 BCABMO Nc1cc(N2CCC(CCO)CC2)nc[nH+]1 ZINC000400950647 343811594 /nfs/dbraw/zinc/81/15/94/343811594.db2.gz WOQIYVHEWRDFOO-UHFFFAOYSA-N 1 1 222.292 0.658 40 0 BCABMO CCO[C@H]1CN(c2[nH+]cccc2N)C[C@@H]1OC ZINC000409434407 343831478 /nfs/dbraw/zinc/83/14/78/343831478.db2.gz PBHMHOWBKGGYRC-QWRGUYRKSA-N 1 1 237.303 0.904 40 0 BCABMO COc1cccc2c1OCC[N@H+](CCO)C2 ZINC000409433331 343831912 /nfs/dbraw/zinc/83/19/12/343831912.db2.gz MPEDOTAZABPLRY-UHFFFAOYSA-N 1 1 223.272 0.882 40 0 BCABMO COc1cccc2c1OCC[N@@H+](CCO)C2 ZINC000409433331 343831916 /nfs/dbraw/zinc/83/19/16/343831916.db2.gz MPEDOTAZABPLRY-UHFFFAOYSA-N 1 1 223.272 0.882 40 0 BCABMO OCC[N@H+]1C[C@H](CO)C2(C1)CCCCC2 ZINC000409435161 343832474 /nfs/dbraw/zinc/83/24/74/343832474.db2.gz SQVPJEOAGCIACC-LLVKDONJSA-N 1 1 213.321 0.853 40 0 BCABMO CCC[C@@H]1CN(CCC[NH3+])CC[C@H]1O ZINC000409435088 343836269 /nfs/dbraw/zinc/83/62/69/343836269.db2.gz SHABCNHOKJBKPS-GHMZBOCLSA-N 1 1 200.326 0.818 40 0 BCABMO CC(=O)N1CCC([N@H+]2CCC[C@H](CO)C2)CC1 ZINC000575617486 343869648 /nfs/dbraw/zinc/86/96/48/343869648.db2.gz HCYAOZIIRQPOOZ-LBPRGKRZSA-N 1 1 240.347 0.702 40 0 BCABMO Cn1cnc2c1C[C@@H](CO)[N@H+](CC1CC1)C2 ZINC000585094551 344129926 /nfs/dbraw/zinc/12/99/26/344129926.db2.gz ATCUUJUNLQHTRF-JTQLQIEISA-N 1 1 221.304 0.549 40 0 BCABMO Cn1cnc2c1C[C@@H](CO)[N@@H+](CC1CC1)C2 ZINC000585094551 344129928 /nfs/dbraw/zinc/12/99/28/344129928.db2.gz ATCUUJUNLQHTRF-JTQLQIEISA-N 1 1 221.304 0.549 40 0 BCABMO CC[N@H+]1CCC2(CN(C(=O)c3ccnn3C)C2)C1 ZINC000585099355 344132100 /nfs/dbraw/zinc/13/21/00/344132100.db2.gz HGZQYBOOZGEFOM-UHFFFAOYSA-N 1 1 248.330 0.588 40 0 BCABMO CCN1CCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000082304291 344153667 /nfs/dbraw/zinc/15/36/67/344153667.db2.gz LLZYMMYCHZFZDC-LBPRGKRZSA-N 1 1 239.363 0.492 40 0 BCABMO CC(C)CCNC(=O)C[N@@H+]1CC[C@H](O)C1 ZINC000061707761 344357364 /nfs/dbraw/zinc/35/73/64/344357364.db2.gz SPPQWCIZFBMFNE-JTQLQIEISA-N 1 1 214.309 0.215 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CC[C@H](O)C1 ZINC000061707761 344357366 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c1cncc(CO[C@@H]2C[C@H]3CNCC[N@H+]3C2)c1 ZINC000096511350 384462681 /nfs/dbraw/zinc/46/26/81/384462681.db2.gz RDRYQRIXBSDCNR-QWHCGFSZSA-N 1 1 233.315 0.644 40 0 BCABMO CC(=O)N1CCC[C@H]([N@@H+](CCN)C(C)C)C1 ZINC000079405650 384492501 /nfs/dbraw/zinc/49/25/01/384492501.db2.gz DHGXTVSWUDKNFP-LBPRGKRZSA-N 1 1 227.352 0.666 40 0 BCABMO CC(=O)N1CCC[C@H]([N@H+](CCN)C(C)C)C1 ZINC000079405650 384492508 /nfs/dbraw/zinc/49/25/08/384492508.db2.gz DHGXTVSWUDKNFP-LBPRGKRZSA-N 1 1 227.352 0.666 40 0 BCABMO CC(C)(C)OC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000026895362 384886342 /nfs/dbraw/zinc/88/63/42/384886342.db2.gz NSHBKHBPLDXYPG-SECBINFHSA-N 1 1 230.308 0.578 40 0 BCABMO CN1C(=O)C[C@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC000107251989 384957312 /nfs/dbraw/zinc/95/73/12/384957312.db2.gz PVJXXKKCPHJZKD-BDAKNGLRSA-N 1 1 237.328 0.948 40 0 BCABMO CN1C(=O)C[C@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC000107251989 384957317 /nfs/dbraw/zinc/95/73/17/384957317.db2.gz PVJXXKKCPHJZKD-BDAKNGLRSA-N 1 1 237.328 0.948 40 0 BCABMO 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CC(C)NC(=O)C[N@H+]1CCC[C@@H](CO)C1 ZINC000047865714 385309265 /nfs/dbraw/zinc/30/92/65/385309265.db2.gz XXHJFEUUPJOQEP-SNVBAGLBSA-N 1 1 214.309 0.215 40 0 BCABMO CSCC[C@@H]([NH3+])CN1CCN(C)CC1 ZINC000096523851 385266237 /nfs/dbraw/zinc/26/62/37/385266237.db2.gz GHZQVYQQWCVQPL-SNVBAGLBSA-N 1 1 217.382 0.314 40 0 BCABMO O[C@H](CNC1CC1)C[NH+]1CCCCCC1 ZINC000036950371 385592524 /nfs/dbraw/zinc/59/25/24/385592524.db2.gz FHIFALDYXOHGMX-GFCCVEGCSA-N 1 1 212.337 0.975 40 0 BCABMO O[C@H](C[NH2+]C1CC1)CN1CCCCCC1 ZINC000036950371 385592527 /nfs/dbraw/zinc/59/25/27/385592527.db2.gz FHIFALDYXOHGMX-GFCCVEGCSA-N 1 1 212.337 0.975 40 0 BCABMO C[NH+](C)CCNCc1cnc(N2CCCC2)nc1 ZINC000062718493 385729019 /nfs/dbraw/zinc/72/90/19/385729019.db2.gz RGBBLVYJXVBIPM-UHFFFAOYSA-N 1 1 249.362 0.728 40 0 BCABMO Cn1[nH]c(C2(C)CC[NH+](CCO)CC2)cc1=O ZINC000257203254 385753800 /nfs/dbraw/zinc/75/38/00/385753800.db2.gz APFXJJJULUGVAR-UHFFFAOYSA-N 1 1 239.319 0.472 40 0 BCABMO C[C@]12CC[N@H+](C3CCOCC3)[C@H]1CCC(=O)N2 ZINC000257225248 385755022 /nfs/dbraw/zinc/75/50/22/385755022.db2.gz FFLFXAOMNGXDPF-AAEUAGOBSA-N 1 1 238.331 0.908 40 0 BCABMO C[C@@](N)(C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858224 385899453 /nfs/dbraw/zinc/89/94/53/385899453.db2.gz KWHTYQAVFBSINF-OCCSQVGLSA-N 1 1 247.342 0.714 40 0 BCABMO C[C@](N)(C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858225 385899461 /nfs/dbraw/zinc/89/94/61/385899461.db2.gz KWHTYQAVFBSINF-TZMCWYRMSA-N 1 1 247.342 0.714 40 0 BCABMO c1cncc(COCc2nnn3c2C[NH2+]CC3)c1 ZINC000306141211 385991416 /nfs/dbraw/zinc/99/14/16/385991416.db2.gz VOMUDXCIHLGXMZ-UHFFFAOYSA-N 1 1 245.286 0.493 40 0 BCABMO C[NH2+][C@@H](C(N)=O)c1ccc(F)cc1F ZINC000037869912 386105129 /nfs/dbraw/zinc/10/51/29/386105129.db2.gz PXQBNBCUGKFBEM-MRVPVSSYSA-N 1 1 200.188 0.711 40 0 BCABMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](O)C[C@H]2C1 ZINC000095616484 386521366 /nfs/dbraw/zinc/52/13/66/386521366.db2.gz SZLUJRHLIZAWGS-UWVGGRQHSA-N 1 1 242.319 0.672 40 0 BCABMO CCn1cc(-c2noc(C[NH3+])n2)c(C)n1 ZINC000575410901 387011333 /nfs/dbraw/zinc/01/13/33/387011333.db2.gz QCVWFWBOYCPAKV-UHFFFAOYSA-N 1 1 207.237 0.720 40 0 BCABMO Cn1nccc1C[NH2+]Cc1cnn(CCF)c1 ZINC000256055092 387862050 /nfs/dbraw/zinc/86/20/50/387862050.db2.gz ZDRJOIDKAMJRIL-UHFFFAOYSA-N 1 1 237.282 0.876 40 0 BCABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccc(N)c1 ZINC000242718264 388400835 /nfs/dbraw/zinc/40/08/35/388400835.db2.gz XHOWJGGBNYPPDR-NWDGAFQWSA-N 1 1 233.315 0.660 40 0 BCABMO C[C@H]1CCCN(C[C@@H](O)C[NH2+]C2CC2)C1 ZINC000108020669 388611019 /nfs/dbraw/zinc/61/10/19/388611019.db2.gz ZZJQCKLQXIFZES-JQWIXIFHSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@H]1CCC[N@H+](C[C@@H](O)CNC2CC2)C1 ZINC000108020669 388611020 /nfs/dbraw/zinc/61/10/20/388611020.db2.gz ZZJQCKLQXIFZES-JQWIXIFHSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@H]1CCC[N@@H+](C[C@@H](O)CNC2CC2)C1 ZINC000108020669 388611021 /nfs/dbraw/zinc/61/10/21/388611021.db2.gz ZZJQCKLQXIFZES-JQWIXIFHSA-N 1 1 212.337 0.831 40 0 BCABMO C1Cn2c(nnc2C2CCOCC2)C[NH2+]1 ZINC000061673898 388643883 /nfs/dbraw/zinc/64/38/83/388643883.db2.gz CZTQKAWSEPFULW-UHFFFAOYSA-N 1 1 208.265 0.275 40 0 BCABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1C[C@H]1CCOC1 ZINC000249680608 388731706 /nfs/dbraw/zinc/73/17/06/388731706.db2.gz AVBPYSFSAZVIET-QNWHQSFQSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@@H+]1C[C@H]1CCOC1 ZINC000249680608 388731707 /nfs/dbraw/zinc/73/17/07/388731707.db2.gz AVBPYSFSAZVIET-QNWHQSFQSA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@H]2C[N@H+]1C[C@H]1CCOC1 ZINC000249680608 388731709 /nfs/dbraw/zinc/73/17/09/388731709.db2.gz AVBPYSFSAZVIET-QNWHQSFQSA-N 1 1 240.347 0.162 40 0 BCABMO NC(=O)C1CCN(c2ccc(N)c[nH+]2)CC1 ZINC000019961750 132329138 /nfs/dbraw/zinc/32/91/38/132329138.db2.gz FJRPKMMFJBLYPE-UHFFFAOYSA-N 1 1 220.276 0.366 40 0 BCABMO CC[N@H+]1CC[C@@H](c2cc(CCO)n[nH]2)C1 ZINC000072361077 170014212 /nfs/dbraw/zinc/01/42/12/170014212.db2.gz WQNOMDFINSJAGE-SECBINFHSA-N 1 1 209.293 0.754 40 0 BCABMO CC[N@@H+]1CC[C@@H](c2cc(CCO)[nH]n2)C1 ZINC000072361077 170014214 /nfs/dbraw/zinc/01/42/14/170014214.db2.gz WQNOMDFINSJAGE-SECBINFHSA-N 1 1 209.293 0.754 40 0 BCABMO CC[N@H+]1CC[C@@H](c2cc(CCO)[nH]n2)C1 ZINC000072361077 170014215 /nfs/dbraw/zinc/01/42/15/170014215.db2.gz WQNOMDFINSJAGE-SECBINFHSA-N 1 1 209.293 0.754 40 0 BCABMO CC[N@H+]1C[C@H]2C[C@H](C(=O)N(C)C)[C@@H](C1)O2 ZINC000096252835 170040566 /nfs/dbraw/zinc/04/05/66/170040566.db2.gz ODHYWYIQAHRMKI-KXUCPTDWSA-N 1 1 212.293 0.184 40 0 BCABMO CCOC(=O)C(F)(F)[C@]1(O)C[NH+]2CCC1CC2 ZINC000052254327 170188501 /nfs/dbraw/zinc/18/85/01/170188501.db2.gz VOHWHCANDGYLNB-JTQLQIEISA-N 1 1 249.257 0.642 40 0 BCABMO CCOC(=O)C1=C(N)S[C@H]2C[N@@H+](C)CC[C@H]12 ZINC000027529764 170191591 /nfs/dbraw/zinc/19/15/91/170191591.db2.gz CLLWUMJBSCNBOM-YUMQZZPRSA-N 1 1 242.344 0.787 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000242554642 487624797 /nfs/dbraw/zinc/62/47/97/487624797.db2.gz MQZINACZCKFGSR-LMLFDSFASA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000242554642 487624809 /nfs/dbraw/zinc/62/48/09/487624809.db2.gz MQZINACZCKFGSR-LMLFDSFASA-N 1 1 237.299 0.991 40 0 BCABMO CN1CC[N@@H+](C)CC(C)(C)[C@H]1N1CCOCC1 ZINC000019319121 173076038 /nfs/dbraw/zinc/07/60/38/173076038.db2.gz RVCSNTWDXXYQON-GFCCVEGCSA-N 1 1 241.379 0.548 40 0 BCABMO C[N@@H+]1CCO[C@](C)(C(=O)NC2CCC2)C1 ZINC000072379365 173110782 /nfs/dbraw/zinc/11/07/82/173110782.db2.gz HPKZVFJIPZAYTB-NSHDSACASA-N 1 1 212.293 0.376 40 0 BCABMO C[N@H+]1CCO[C@](C)(C(=O)NC2CCC2)C1 ZINC000072379365 173110784 /nfs/dbraw/zinc/11/07/84/173110784.db2.gz HPKZVFJIPZAYTB-NSHDSACASA-N 1 1 212.293 0.376 40 0 BCABMO C[N@H+]1C[C@@H](C(N)=O)[C@@H](c2cccc(N)c2)C1 ZINC000225607590 173181099 /nfs/dbraw/zinc/18/10/99/173181099.db2.gz YYQJHLUTPAHBPX-GHMZBOCLSA-N 1 1 219.288 0.399 40 0 BCABMO C[N@H+]1C[C@H](C(N)=O)[C@H](c2cccc(N)c2)C1 ZINC000217663117 173191802 /nfs/dbraw/zinc/19/18/02/173191802.db2.gz YYQJHLUTPAHBPX-QWRGUYRKSA-N 1 1 219.288 0.399 40 0 BCABMO C[N@H+]1C[C@H]2C[C@H](C(=O)Nc3cccnc3)[C@@H](C1)O2 ZINC000096083626 173199241 /nfs/dbraw/zinc/19/92/41/173199241.db2.gz UHYMYTGXFFONFD-GRYCIOLGSA-N 1 1 247.298 0.739 40 0 BCABMO CNc1cc(C2CC2)nc(NCCC[NH+](C)C)n1 ZINC000329060822 173208294 /nfs/dbraw/zinc/20/82/94/173208294.db2.gz WODMNXFRJBPNCS-UHFFFAOYSA-N 1 1 249.362 0.603 40 0 BCABMO CNC(=O)C[N@@H+]1CCc2c(N)cccc2C1 ZINC000042255534 173274937 /nfs/dbraw/zinc/27/49/37/173274937.db2.gz WYOZVAGQSYMREW-UHFFFAOYSA-N 1 1 219.288 0.373 40 0 BCABMO CNC(=O)C[N@H+]1CCc2c(N)cccc2C1 ZINC000042255534 173274938 /nfs/dbraw/zinc/27/49/38/173274938.db2.gz WYOZVAGQSYMREW-UHFFFAOYSA-N 1 1 219.288 0.373 40 0 BCABMO CNC(=O)[C@@H]1C[N@@H+](CCc2ccccc2)CCN1 ZINC000072343370 173299889 /nfs/dbraw/zinc/29/98/89/173299889.db2.gz KZZKZJMGUULACR-ZDUSSCGKSA-N 1 1 247.342 0.249 40 0 BCABMO CNC(=O)c1cc(C[C@@H]2CCC[N@@H+](C)C2)ncn1 ZINC000257324414 173309551 /nfs/dbraw/zinc/30/95/51/173309551.db2.gz WOOWMQRJFOWBPB-JTQLQIEISA-N 1 1 248.330 0.721 40 0 BCABMO C[NH2+]CC(=O)N1CCC[C@@H]1c1[nH]ncc1C ZINC000072361460 173327086 /nfs/dbraw/zinc/32/70/86/173327086.db2.gz YAHYLCDAHSHAMX-SECBINFHSA-N 1 1 222.292 0.601 40 0 BCABMO COCCCNC(=O)C1=CCC[N@@H+](C)C1 ZINC000001614952 174237296 /nfs/dbraw/zinc/23/72/96/174237296.db2.gz RXBVCQCVRFTVMB-UHFFFAOYSA-N 1 1 212.293 0.401 40 0 BCABMO COCC[NH+]1CCN(Cc2ccccn2)CC1 ZINC000072397779 174310536 /nfs/dbraw/zinc/31/05/36/174310536.db2.gz ITLDQIWOYOLPNM-UHFFFAOYSA-N 1 1 235.331 0.846 40 0 BCABMO COCC[N@@H+]1CCc2ccc(=O)[nH]c2CC1 ZINC000096067723 174315817 /nfs/dbraw/zinc/31/58/17/174315817.db2.gz QQOVMPNMQPAODD-UHFFFAOYSA-N 1 1 222.288 0.422 40 0 BCABMO COc1ccc([C@H](C(N)=O)[NH+](C)C)cc1 ZINC000058493580 175187545 /nfs/dbraw/zinc/18/75/45/175187545.db2.gz KTJIKTCRNPWQPD-SNVBAGLBSA-N 1 1 208.261 0.783 40 0 BCABMO C[C@@H]1C[N@@H+](CCCO)[C@H](C)CN1CCCO ZINC000022587372 176289024 /nfs/dbraw/zinc/28/90/24/176289024.db2.gz IWKQAKRPXVCLLA-VXGBXAGGSA-N 1 1 230.352 0.146 40 0 BCABMO C[C@@H]1C[NH2+]Cc2nnc(C(F)(F)F)n21 ZINC000040434615 176330680 /nfs/dbraw/zinc/33/06/80/176330680.db2.gz NRTQEVNRFKHHCG-SCSAIBSYSA-N 1 1 206.171 0.961 40 0 BCABMO C[C@H]1CCCCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000083871889 177073108 /nfs/dbraw/zinc/07/31/08/177073108.db2.gz HJGAXSWBBOVRSV-VHSXEESVSA-N 1 1 212.293 0.376 40 0 BCABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1Cc1ccccn1 ZINC000072397592 177280705 /nfs/dbraw/zinc/28/07/05/177280705.db2.gz NIPJIWZVCCFHQE-IACUBPJLSA-N 1 1 247.342 0.721 40 0 BCABMO C[N@H+]1CC[C@@H](O)[C@@H](Cc2ccncc2)C1 ZINC000169975254 487794012 /nfs/dbraw/zinc/79/40/12/487794012.db2.gz JKERHQVRJCSDMC-NWDGAFQWSA-N 1 1 206.289 0.937 40 0 BCABMO CC(=O)N(C[C@H]1CCC[N@@H+](CCO)C1)C1CC1 ZINC000079416593 519464735 /nfs/dbraw/zinc/46/47/35/519464735.db2.gz GEECQJQALSBKJK-LBPRGKRZSA-N 1 1 240.347 0.702 40 0 BCABMO CC(=O)N[C@H]1CC[C@H]([N@@H+](C)CCN)CC1 ZINC000252517844 519701270 /nfs/dbraw/zinc/70/12/70/519701270.db2.gz SSHZICKRURMPRL-XYPYZODXSA-N 1 1 213.325 0.324 40 0 BCABMO CC(=O)N[C@H]1CC[C@H](N(C)CC[NH3+])CC1 ZINC000252517844 519701271 /nfs/dbraw/zinc/70/12/71/519701271.db2.gz SSHZICKRURMPRL-XYPYZODXSA-N 1 1 213.325 0.324 40 0 BCABMO CN(N)c1cc(I)cc[nH+]1 ZINC000199545226 523620160 /nfs/dbraw/zinc/62/01/60/523620160.db2.gz YQSWLWKWELXQED-UHFFFAOYSA-N 1 1 249.055 0.996 40 0 BCABMO CC(C)[C@@H]([C@@H](CN)CO)[NH+]1CCCC1 ZINC000072210613 259317562 /nfs/dbraw/zinc/31/75/62/259317562.db2.gz ARKBGFLZIWNJIN-QWRGUYRKSA-N 1 1 200.326 0.674 40 0 BCABMO CC[NH+](CC)[C@@H](C(C)C)[C@@H](CN)CO ZINC000072210605 259317541 /nfs/dbraw/zinc/31/75/41/259317541.db2.gz YWNMXCHZESQTCM-QWRGUYRKSA-N 1 1 202.342 0.920 40 0 BCABMO COC(=O)[C@@]1(O)C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000003901844 342739510 /nfs/dbraw/zinc/73/95/10/342739510.db2.gz FVNFPDGQPQTTTR-NQMVMOMDSA-N 1 1 201.266 0.251 40 0 BCABMO CCCCNC(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000042975607 398327414 /nfs/dbraw/zinc/32/74/14/398327414.db2.gz RDEKDDSIHXPVIX-JTQLQIEISA-N 1 1 214.309 0.359 40 0 BCABMO CCCCNC(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000042975607 398327415 /nfs/dbraw/zinc/32/74/15/398327415.db2.gz RDEKDDSIHXPVIX-JTQLQIEISA-N 1 1 214.309 0.359 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc(OC)cc1 ZINC000096525968 343760023 /nfs/dbraw/zinc/76/00/23/343760023.db2.gz BZKNPULKHGDIRV-MNOVXSKESA-N 1 1 220.272 0.926 40 0 BCABMO OCc1cn(C[C@@H]2CCCC[N@@H+]2CCF)nn1 ZINC000409428069 343802593 /nfs/dbraw/zinc/80/25/93/343802593.db2.gz YQZIBTJUIBUIBJ-NSHDSACASA-N 1 1 242.298 0.594 40 0 BCABMO OCc1cn(C[C@@H]2CCCC[N@H+]2CCF)nn1 ZINC000409428069 343802596 /nfs/dbraw/zinc/80/25/96/343802596.db2.gz YQZIBTJUIBUIBJ-NSHDSACASA-N 1 1 242.298 0.594 40 0 BCABMO Cc1nc(N)cc(N2CCC(C(N)=O)CC2)[nH+]1 ZINC000127315209 343787405 /nfs/dbraw/zinc/78/74/05/343787405.db2.gz DRMLPKKHBGIMNB-UHFFFAOYSA-N 1 1 235.291 0.069 40 0 BCABMO CN1CCN(c2cccc(CC[NH3+])n2)CC1 ZINC000213361496 343792033 /nfs/dbraw/zinc/79/20/33/343792033.db2.gz CJWXJIOIDZZEDM-UHFFFAOYSA-N 1 1 220.320 0.335 40 0 BCABMO OCC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000227640494 343793564 /nfs/dbraw/zinc/79/35/64/343793564.db2.gz MHOBZEYZDPHNMU-UHFFFAOYSA-N 1 1 225.267 0.335 40 0 BCABMO CO[C@@H]1CN(C2CC[NH2+]CC2)C[C@@H]1OC ZINC000234796514 343795102 /nfs/dbraw/zinc/79/51/02/343795102.db2.gz YETTYCYSDPLKON-PHIMTYICSA-N 1 1 214.309 0.084 40 0 BCABMO C[N@H+]1CCCC[C@@H]1Cn1cc(C[NH3+])nn1 ZINC000409427543 343801109 /nfs/dbraw/zinc/80/11/09/343801109.db2.gz WCBXKXDUGHMFDS-SNVBAGLBSA-N 1 1 209.297 0.221 40 0 BCABMO C[N@H+]1CCCC[C@H]1Cn1cc(C[NH3+])nn1 ZINC000409427535 343801121 /nfs/dbraw/zinc/80/11/21/343801121.db2.gz WCBXKXDUGHMFDS-JTQLQIEISA-N 1 1 209.297 0.221 40 0 BCABMO OCC[N@H+]1C[C@@H](CO)[C@H](C(F)(F)F)C1 ZINC000409427452 343801236 /nfs/dbraw/zinc/80/12/36/343801236.db2.gz FGPFAMPQUDWWII-NKWVEPMBSA-N 1 1 213.199 0.081 40 0 BCABMO CCN1C(=O)C(c2ccccc2)=NC12C[NH2+]C2 ZINC000409421950 343812188 /nfs/dbraw/zinc/81/21/88/343812188.db2.gz AHTVQEBBBJTXAP-UHFFFAOYSA-N 1 1 229.283 0.637 40 0 BCABMO CC[C@H](C)[N@H+]1CC[C@@H](O)[C@H](C(=O)OC)C1 ZINC000409421966 343812340 /nfs/dbraw/zinc/81/23/40/343812340.db2.gz ANKDVJPNWSMCOT-IVZWLZJFSA-N 1 1 215.293 0.641 40 0 BCABMO [NH3+][C@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000409423331 343815382 /nfs/dbraw/zinc/81/53/82/343815382.db2.gz NJUIIEJMRBETOI-QMMMGPOBSA-N 1 1 231.259 0.131 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CC2CC2)CC[C@@H]1O ZINC000409423755 343816166 /nfs/dbraw/zinc/81/61/66/343816166.db2.gz USQIXVGBMPVIKR-ZJUUUORDSA-N 1 1 213.277 0.252 40 0 BCABMO O=Cc1cn(C[C@@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000409425000 343818115 /nfs/dbraw/zinc/81/81/15/343818115.db2.gz IZRDYTAIMJYXRS-SNVBAGLBSA-N 1 1 240.282 0.772 40 0 BCABMO O=Cc1cn(C[C@@H]2CCC[N@H+](CCF)C2)nn1 ZINC000409425000 343818117 /nfs/dbraw/zinc/81/81/17/343818117.db2.gz IZRDYTAIMJYXRS-SNVBAGLBSA-N 1 1 240.282 0.772 40 0 BCABMO Nc1ccc(N2C[C@@H]3COC[C@H]3C2)[nH+]c1 ZINC000409425522 343819676 /nfs/dbraw/zinc/81/96/76/343819676.db2.gz GGPSBAHYPGMCIV-RKDXNWHRSA-N 1 1 205.261 0.746 40 0 BCABMO Nc1ccc[nH+]c1N1C[C@H]2COC[C@@H]2C1 ZINC000409425656 343820311 /nfs/dbraw/zinc/82/03/11/343820311.db2.gz GJUJJOQFUIERJQ-IUCAKERBSA-N 1 1 205.261 0.746 40 0 BCABMO C[C@@H]1CN(c2[nH+]cccc2N)C[C@H]1CO ZINC000409429095 343804761 /nfs/dbraw/zinc/80/47/61/343804761.db2.gz NUIYQZNGUHTAGC-BDAKNGLRSA-N 1 1 207.277 0.728 40 0 BCABMO Cc1nc(N)cc(N2CCC(CCO)CC2)[nH+]1 ZINC000401040916 343811716 /nfs/dbraw/zinc/81/17/16/343811716.db2.gz OYEOZYBKCRXOKE-UHFFFAOYSA-N 1 1 236.319 0.966 40 0 BCABMO CO[C@H]1CN(CCC[NH3+])C[C@H]1n1ccnc1 ZINC000409433483 343832713 /nfs/dbraw/zinc/83/27/13/343832713.db2.gz MVRDCEBVQZDTRX-MNOVXSKESA-N 1 1 224.308 0.104 40 0 BCABMO Nc1ccc[nH+]c1N1CC(O)(C(F)(F)F)C1 ZINC000409435505 343833881 /nfs/dbraw/zinc/83/38/81/343833881.db2.gz VBJRJBGODQELTP-UHFFFAOYSA-N 1 1 233.193 0.777 40 0 BCABMO OCC[N@H+]1CC[C@](CO)(C(F)(F)F)C1 ZINC000409435111 343836157 /nfs/dbraw/zinc/83/61/57/343836157.db2.gz SKHGLEHHBVEYMA-ZETCQYMHSA-N 1 1 213.199 0.225 40 0 BCABMO CC(C)C[C@@H]1C[N@@H+](CCO)CC[C@H]1O ZINC000409436156 343837644 /nfs/dbraw/zinc/83/76/44/343837644.db2.gz YJNOKTVWYMZEFA-GHMZBOCLSA-N 1 1 201.310 0.708 40 0 BCABMO [NH3+]Cc1noc([C@@H]([C@H]2CCOC2)n2cccc2)n1 ZINC000409442494 343858647 /nfs/dbraw/zinc/85/86/47/343858647.db2.gz VZJSLLTZYNRETP-GXSJLCMTSA-N 1 1 248.286 0.956 40 0 BCABMO C1C[C@@H](N2CC[NH2+]CC2)[C@H](N2CCOCC2)C1 ZINC000409441573 343859667 /nfs/dbraw/zinc/85/96/67/343859667.db2.gz PUOWATBWXSBAFM-CHWSQXEVSA-N 1 1 239.363 0.145 40 0 BCABMO C1C[C@@H](N2CC[NH2+]CC2)[C@@H](N2CCOCC2)C1 ZINC000409441574 343860281 /nfs/dbraw/zinc/86/02/81/343860281.db2.gz PUOWATBWXSBAFM-OLZOCXBDSA-N 1 1 239.363 0.145 40 0 BCABMO CC(C)[N@@H+]1Cc2ncn(C)c2C[C@@H]1CO ZINC000585094685 344129675 /nfs/dbraw/zinc/12/96/75/344129675.db2.gz HNYJEAHGUOBTNT-SECBINFHSA-N 1 1 209.293 0.548 40 0 BCABMO CC(C)[N@H+]1Cc2ncn(C)c2C[C@@H]1CO ZINC000585094685 344129676 /nfs/dbraw/zinc/12/96/76/344129676.db2.gz HNYJEAHGUOBTNT-SECBINFHSA-N 1 1 209.293 0.548 40 0 BCABMO COC(=O)[C@H]1CC[C@H]2[C@@H](C1)[C@H](O)[C@H]1CCC[N@@H+]12 ZINC000085398569 344528034 /nfs/dbraw/zinc/52/80/34/344528034.db2.gz GRLNGRUGXJVCJH-MJDLHHQISA-N 1 1 239.315 0.783 40 0 BCABMO COC(=O)C1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000169111963 345838587 /nfs/dbraw/zinc/83/85/87/345838587.db2.gz SLKNYPGNTWDAAX-UHFFFAOYSA-N 1 1 236.275 0.448 40 0 BCABMO C[N@H+]1CCCN(c2cc(N)ncn2)CC1 ZINC000082427515 345909482 /nfs/dbraw/zinc/90/94/82/345909482.db2.gz GHFIXCAPXQJYGC-UHFFFAOYSA-N 1 1 207.281 0.201 40 0 BCABMO [NH3+]CC1CCN(C(=O)c2cnc[nH]2)CC1 ZINC000084377545 345922874 /nfs/dbraw/zinc/92/28/74/345922874.db2.gz FBTDJWKGJZVADM-UHFFFAOYSA-N 1 1 208.265 0.221 40 0 BCABMO CCN1CCN(c2cc(N)[nH+]c(C)n2)CC1 ZINC000087805598 345941069 /nfs/dbraw/zinc/94/10/69/345941069.db2.gz YGQRJXUWPIXDFJ-UHFFFAOYSA-N 1 1 221.308 0.509 40 0 BCABMO CNc1cc(N2CCC(O)CC2)[nH+]c(C)n1 ZINC000087806291 345941984 /nfs/dbraw/zinc/94/19/84/345941984.db2.gz GLYUZIISYLNTPN-UHFFFAOYSA-N 1 1 222.292 0.788 40 0 BCABMO CNc1cc(N2CCC[C@H](O)C2)[nH+]c(C)n1 ZINC000087811607 345942365 /nfs/dbraw/zinc/94/23/65/345942365.db2.gz SXQGAYULSLVCME-VIFPVBQESA-N 1 1 222.292 0.788 40 0 BCABMO CCN(CC)C[C@H](O)C[NH2+]CC(C)C ZINC000001668543 346462701 /nfs/dbraw/zinc/46/27/01/346462701.db2.gz ZIFFYQPJTMNODT-LLVKDONJSA-N 1 1 202.342 0.935 40 0 BCABMO COC(=O)C(C)(C)N1CC[NH+](C)CC1 ZINC000022123118 350084466 /nfs/dbraw/zinc/08/44/66/350084466.db2.gz OZHDMSPCNUCNRX-UHFFFAOYSA-N 1 1 200.282 0.185 40 0 BCABMO Cc1nc(NC#N)nc2c1C[N@@H+](C)CC2 ZINC000049474135 180005419 /nfs/dbraw/zinc/00/54/19/180005419.db2.gz GFGPKVQESMELLZ-UHFFFAOYSA-N 1 1 203.249 0.666 40 0 BCABMO [NH3+]CC(=O)c1cccc2ccc[n+]([O-])c21 ZINC000061925473 187440270 /nfs/dbraw/zinc/44/02/70/187440270.db2.gz SBXGOERQHDSINM-UHFFFAOYSA-N 1 1 202.213 0.615 40 0 BCABMO Cc1nccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072381335 180207167 /nfs/dbraw/zinc/20/71/67/180207167.db2.gz BGBRCZBRRBVCHE-NSHDSACASA-N 1 1 207.277 0.914 40 0 BCABMO Cc1nn(C)c(C)c1CCN(C)CCC[NH3+] ZINC000096523785 180336382 /nfs/dbraw/zinc/33/63/82/180336382.db2.gz DAMSMWLLMGVTAM-UHFFFAOYSA-N 1 1 224.352 0.860 40 0 BCABMO CCCCN(C)C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000409422370 350473849 /nfs/dbraw/zinc/47/38/49/350473849.db2.gz DAVFLXURGLSGEC-NSHDSACASA-N 1 1 228.336 0.702 40 0 BCABMO NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000257268418 181232607 /nfs/dbraw/zinc/23/26/07/181232607.db2.gz MLPZQUNEBBKKHD-JTQLQIEISA-N 1 1 205.261 0.704 40 0 BCABMO NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000257268418 181232609 /nfs/dbraw/zinc/23/26/09/181232609.db2.gz MLPZQUNEBBKKHD-JTQLQIEISA-N 1 1 205.261 0.704 40 0 BCABMO NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000004991353 181271249 /nfs/dbraw/zinc/27/12/49/181271249.db2.gz WIPQZIQVKUKTSH-JTQLQIEISA-N 1 1 248.282 0.865 40 0 in-vitro BCABMO NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000004991353 181271251 /nfs/dbraw/zinc/27/12/51/181271251.db2.gz WIPQZIQVKUKTSH-JTQLQIEISA-N 1 1 248.282 0.865 40 0 in-vitro BCABMO NC(=O)[C@H]([NH3+])c1cc(Br)cs1 ZINC000048701890 181277428 /nfs/dbraw/zinc/27/74/28/181277428.db2.gz MDASTVRCZHXZKE-RXMQYKEDSA-N 1 1 235.106 0.996 40 0 BCABMO c1ccc(-n2nnc3c2CC[NH2+]C3)nc1 ZINC000225989158 359006936 /nfs/dbraw/zinc/00/69/36/359006936.db2.gz SVNDYKKHHWGSKS-UHFFFAOYSA-N 1 1 201.233 0.308 40 0 BCABMO COC(=O)[C@@H]([NH3+])Cn1cc(Br)cn1 ZINC000045437302 259521213 /nfs/dbraw/zinc/52/12/13/259521213.db2.gz UTEBRIIQBZMEFD-LURJTMIESA-N 1 1 248.080 0.146 40 0 BCABMO CN(C)[C@@H](c1ccccc1)[C@@H](C[NH3+])CO ZINC000072210320 259523555 /nfs/dbraw/zinc/52/35/55/259523555.db2.gz DRTRPLQLKVCVGO-RYUDHWBXSA-N 1 1 208.305 0.857 40 0 BCABMO C([C@H]1CCCO1)[N@@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225715104 371569203 /nfs/dbraw/zinc/56/92/03/371569203.db2.gz MNGHFGGZAFBJOL-UTUOFQBUSA-N 1 1 210.321 0.992 40 0 BCABMO C([C@H]1CCCO1)[N@H+]1CCN[C@@H]2CCC[C@@H]21 ZINC000225715104 371569207 /nfs/dbraw/zinc/56/92/07/371569207.db2.gz MNGHFGGZAFBJOL-UTUOFQBUSA-N 1 1 210.321 0.992 40 0 BCABMO OC1(O)CCC[N@@H+](Cc2ccccc2)C1 ZINC000034519810 183023356 /nfs/dbraw/zinc/02/33/56/183023356.db2.gz YCDUUPQUAZOGBZ-UHFFFAOYSA-N 1 1 207.273 0.963 40 0 BCABMO OCC[N@H+]1CCC[C@H](Cc2cc[nH]n2)C1 ZINC000257305100 183073930 /nfs/dbraw/zinc/07/39/30/183073930.db2.gz SOLBBEDPWGGLEW-SNVBAGLBSA-N 1 1 209.293 0.657 40 0 BCABMO OCC[N@@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257305100 183073932 /nfs/dbraw/zinc/07/39/32/183073932.db2.gz SOLBBEDPWGGLEW-SNVBAGLBSA-N 1 1 209.293 0.657 40 0 BCABMO OCC[N@H+]1CCC[C@H](Cc2ccn[nH]2)C1 ZINC000257305100 183073935 /nfs/dbraw/zinc/07/39/35/183073935.db2.gz SOLBBEDPWGGLEW-SNVBAGLBSA-N 1 1 209.293 0.657 40 0 BCABMO CO[C@H]1CCO[C@@]2(CCC[N@@H+](CCO)C2)C1 ZINC000409434131 383828531 /nfs/dbraw/zinc/82/85/31/383828531.db2.gz ODFDTEUBQDAUTN-RYUDHWBXSA-N 1 1 229.320 0.639 40 0 BCABMO CC(=O)N1CCCC[C@H]1C[N@@H+](C)CCO ZINC000079405294 384133735 /nfs/dbraw/zinc/13/37/35/384133735.db2.gz PFBNRYWDLXKFJB-NSHDSACASA-N 1 1 214.309 0.312 40 0 BCABMO CC[N@@H+](CCN)C1CCN(C(C)=O)CC1 ZINC000079405628 384133798 /nfs/dbraw/zinc/13/37/98/384133798.db2.gz LFPDKYVFBQPABX-UHFFFAOYSA-N 1 1 213.325 0.278 40 0 BCABMO CCN(CC[NH3+])C1CCN(C(C)=O)CC1 ZINC000079405628 384133800 /nfs/dbraw/zinc/13/38/00/384133800.db2.gz LFPDKYVFBQPABX-UHFFFAOYSA-N 1 1 213.325 0.278 40 0 BCABMO CC(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1 ZINC000079405443 384133983 /nfs/dbraw/zinc/13/39/83/384133983.db2.gz UTDUBRMUTVPHAW-UHFFFAOYSA-N 1 1 242.363 0.948 40 0 BCABMO CC(=O)N1CCC[C@H]([N@H+](CCO)C(C)C)C1 ZINC000079405414 384134233 /nfs/dbraw/zinc/13/42/33/384134233.db2.gz NPUXDOGSHXCBLB-LBPRGKRZSA-N 1 1 228.336 0.700 40 0 BCABMO CC[N@@H+](CCO)C[C@H]1CCCN(C(C)=O)C1 ZINC000079405365 384134356 /nfs/dbraw/zinc/13/43/56/384134356.db2.gz NVNIYXZNJHWZNS-GFCCVEGCSA-N 1 1 228.336 0.559 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@H+](CCN)C(C)C)C1 ZINC000079405680 384135815 /nfs/dbraw/zinc/13/58/15/384135815.db2.gz FLVYCEGYZWMXNK-CYBMUJFWSA-N 1 1 241.379 0.914 40 0 BCABMO CC(=O)N1CCC[C@H](CN(CC[NH3+])C(C)C)C1 ZINC000079405680 384135817 /nfs/dbraw/zinc/13/58/17/384135817.db2.gz FLVYCEGYZWMXNK-CYBMUJFWSA-N 1 1 241.379 0.914 40 0 BCABMO CC(C)(C)OC(=O)NC[C@@H]1CCC[N@H+]1CCO ZINC000079407801 384135844 /nfs/dbraw/zinc/13/58/44/384135844.db2.gz ROKNTGDEDWTVBD-JTQLQIEISA-N 1 1 244.335 0.968 40 0 BCABMO CC(=O)N1CC[C@@H](C[N@H+](CCN)C2CC2)C1 ZINC000079405733 384135853 /nfs/dbraw/zinc/13/58/53/384135853.db2.gz TVRXNJGLIVFONU-LLVKDONJSA-N 1 1 225.336 0.278 40 0 BCABMO CC(=O)N1CC[C@@H](C[N@@H+](CCN)C2CC2)C1 ZINC000079405733 384135856 /nfs/dbraw/zinc/13/58/56/384135856.db2.gz TVRXNJGLIVFONU-LLVKDONJSA-N 1 1 225.336 0.278 40 0 BCABMO CC(=O)N1CCC(C[N@H+](CCN)C2CC2)CC1 ZINC000079405776 384136028 /nfs/dbraw/zinc/13/60/28/384136028.db2.gz XDMUQDHHPBYHTF-UHFFFAOYSA-N 1 1 239.363 0.668 40 0 BCABMO CC(=O)N1CCC(C[N@@H+](CCN)C2CC2)CC1 ZINC000079405776 384136031 /nfs/dbraw/zinc/13/60/31/384136031.db2.gz XDMUQDHHPBYHTF-UHFFFAOYSA-N 1 1 239.363 0.668 40 0 BCABMO CC(=O)NC1CCC([N@@H+](C)CCN)CC1 ZINC000079422662 384146892 /nfs/dbraw/zinc/14/68/92/384146892.db2.gz SSHZICKRURMPRL-UHFFFAOYSA-N 1 1 213.325 0.324 40 0 BCABMO CC(=O)NC1CCC(N(C)CC[NH3+])CC1 ZINC000079422662 384146893 /nfs/dbraw/zinc/14/68/93/384146893.db2.gz SSHZICKRURMPRL-UHFFFAOYSA-N 1 1 213.325 0.324 40 0 BCABMO CCN(C[C@@H]1CCCC[N@H+]1CCO)C(C)=O ZINC000079416448 384139234 /nfs/dbraw/zinc/13/92/34/384139234.db2.gz XXNFYRZQTKAGST-LBPRGKRZSA-N 1 1 228.336 0.702 40 0 BCABMO CC(=O)N(C1CC1)[C@H]1CCC[N@@H+](CCO)C1 ZINC000079416575 384139784 /nfs/dbraw/zinc/13/97/84/384139784.db2.gz ORVBHWNDFMSBTF-LBPRGKRZSA-N 1 1 226.320 0.454 40 0 BCABMO CC(=O)N(C)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079416386 384140348 /nfs/dbraw/zinc/14/03/48/384140348.db2.gz LEEHIHWNHMUPOB-NSHDSACASA-N 1 1 214.309 0.169 40 0 BCABMO CC(C)[N@@H+](C)C[C@H]1CCCN1CCO ZINC000079418474 384144400 /nfs/dbraw/zinc/14/44/00/384144400.db2.gz UWFIBDJKPMJHLO-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(C)C[C@H]1CCC[N@@H+]1CCO ZINC000079418474 384144406 /nfs/dbraw/zinc/14/44/06/384144406.db2.gz UWFIBDJKPMJHLO-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(C)C[C@H]1CCC[N@H+]1CCO ZINC000079418474 384144412 /nfs/dbraw/zinc/14/44/12/384144412.db2.gz UWFIBDJKPMJHLO-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO C[NH+](C)C[C@H]1CCC[N@@H+](CC(=O)[O-])C1 ZINC000079419710 384144680 /nfs/dbraw/zinc/14/46/80/384144680.db2.gz CPSQNJCVUDZHTC-SECBINFHSA-N 1 1 200.282 0.345 40 0 BCABMO Cc1c[nH]nc1[C@@H]1CCC[N@H+](CC(N)=O)C1 ZINC000072361139 384212737 /nfs/dbraw/zinc/21/27/37/384212737.db2.gz SEWQCJQRXICCGA-SECBINFHSA-N 1 1 222.292 0.383 40 0 BCABMO Cc1c[nH]nc1[C@@H]1CCC[N@@H+](CC(N)=O)C1 ZINC000072361139 384212740 /nfs/dbraw/zinc/21/27/40/384212740.db2.gz SEWQCJQRXICCGA-SECBINFHSA-N 1 1 222.292 0.383 40 0 BCABMO CN(C)c1nccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072359876 384214020 /nfs/dbraw/zinc/21/40/20/384214020.db2.gz MDEDUTZBFWQJRQ-LLVKDONJSA-N 1 1 236.319 0.672 40 0 BCABMO Cc1ccnc(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000072361131 384214659 /nfs/dbraw/zinc/21/46/59/384214659.db2.gz ATULWNLGGWNEHI-UHFFFAOYSA-N 1 1 234.303 0.450 40 0 BCABMO CNc1cc([C@H]2CC[N@@H+]2CCO)nc(C)n1 ZINC000072387422 384220585 /nfs/dbraw/zinc/22/05/85/384220585.db2.gz KWEGFXSLOCIUHC-SNVBAGLBSA-N 1 1 222.292 0.566 40 0 BCABMO CNc1cc([C@H]2CC[N@H+]2CCO)nc(C)n1 ZINC000072387422 384220588 /nfs/dbraw/zinc/22/05/88/384220588.db2.gz KWEGFXSLOCIUHC-SNVBAGLBSA-N 1 1 222.292 0.566 40 0 BCABMO Cc1nnc(C[N@@H+]2CCC[C@H]2CCO)[nH]1 ZINC000332680567 384332104 /nfs/dbraw/zinc/33/21/04/384332104.db2.gz JVPFWQIJBVJZPZ-VIFPVBQESA-N 1 1 210.281 0.460 40 0 BCABMO Cc1nnc(C[N@H+]2CCC[C@H]2CCO)[nH]1 ZINC000332680567 384332113 /nfs/dbraw/zinc/33/21/13/384332113.db2.gz JVPFWQIJBVJZPZ-VIFPVBQESA-N 1 1 210.281 0.460 40 0 BCABMO Cc1nnc(C[N@@H+]2CCC[C@@H]2CCO)[nH]1 ZINC000332680566 384333010 /nfs/dbraw/zinc/33/30/10/384333010.db2.gz JVPFWQIJBVJZPZ-SECBINFHSA-N 1 1 210.281 0.460 40 0 BCABMO Cc1nnc(C[N@H+]2CCC[C@@H]2CCO)[nH]1 ZINC000332680566 384333014 /nfs/dbraw/zinc/33/30/14/384333014.db2.gz JVPFWQIJBVJZPZ-SECBINFHSA-N 1 1 210.281 0.460 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](O)C1)N1CCCCCC1 ZINC000061709094 384397735 /nfs/dbraw/zinc/39/77/35/384397735.db2.gz RVLWDKVYJNVAEX-LLVKDONJSA-N 1 1 226.320 0.456 40 0 BCABMO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccc(F)cc1 ZINC000061707944 384397795 /nfs/dbraw/zinc/39/77/95/384397795.db2.gz NXUUYCMFFHLDSU-LLVKDONJSA-N 1 1 238.262 0.831 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccc(F)cc1 ZINC000061707944 384397801 /nfs/dbraw/zinc/39/78/01/384397801.db2.gz NXUUYCMFFHLDSU-LLVKDONJSA-N 1 1 238.262 0.831 40 0 BCABMO CN1C(=O)c2ccccc2O[C@H]2C[N@@H+](C)C[C@H]21 ZINC000514288963 384404253 /nfs/dbraw/zinc/40/42/53/384404253.db2.gz DNAGVEDKIUVUEI-PWSUYJOCSA-N 1 1 232.283 0.834 40 0 biogenic,in-vitro BCABMO CN1C(=O)c2ccccc2O[C@H]2C[N@H+](C)C[C@H]21 ZINC000514288963 384404256 /nfs/dbraw/zinc/40/42/56/384404256.db2.gz DNAGVEDKIUVUEI-PWSUYJOCSA-N 1 1 232.283 0.834 40 0 biogenic,in-vitro BCABMO CCOC(=O)[C@@H]1C[C@@H]2[C@@H](CCC[C@@H]2O)[NH2+]1 ZINC000095951496 384418751 /nfs/dbraw/zinc/41/87/51/384418751.db2.gz MAAGWQZXAGNMPA-IMSYWVGJSA-N 1 1 213.277 0.441 40 0 BCABMO CN1c2ccccc2[C@]2(CC[N@@H+](CCO)C2)C1=O ZINC000096244815 384444805 /nfs/dbraw/zinc/44/48/05/384444805.db2.gz PEJIYMQEVMLLAD-CQSZACIVSA-N 1 1 246.310 0.599 40 0 BCABMO COC[C@@H]1[NH2+]CCc2c1nnn2CC1CC1 ZINC000306133555 384668731 /nfs/dbraw/zinc/66/87/31/384668731.db2.gz MPKACZGYOSMTRT-VIFPVBQESA-N 1 1 222.292 0.521 40 0 BCABMO CN(C)C(=O)[C@@H]1CCCN1c1[nH+]cccc1N ZINC000036132142 384917349 /nfs/dbraw/zinc/91/73/49/384917349.db2.gz ZVFRAIXVBZDGEP-JTQLQIEISA-N 1 1 234.303 0.721 40 0 BCABMO NC[C@@H](CO)C1([NH+]2CCCC2)CCCC1 ZINC000072210390 385068854 /nfs/dbraw/zinc/06/88/54/385068854.db2.gz DDNPDMGYKJEXSX-NSHDSACASA-N 1 1 212.337 0.962 40 0 BCABMO C[NH+](C)C1([C@H](CN)CO)CCCCC1 ZINC000072210377 385068911 /nfs/dbraw/zinc/06/89/11/385068911.db2.gz KVHTXDYFBOXQRQ-SNVBAGLBSA-N 1 1 200.326 0.818 40 0 BCABMO O=C(C[N@H+]1CC[C@@H](O)C1)Nc1ccccc1 ZINC000061708123 385135210 /nfs/dbraw/zinc/13/52/10/385135210.db2.gz VAQBFCDZBTZKIU-LLVKDONJSA-N 1 1 220.272 0.692 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](O)C1)Nc1ccccc1 ZINC000061708123 385135219 /nfs/dbraw/zinc/13/52/19/385135219.db2.gz VAQBFCDZBTZKIU-LLVKDONJSA-N 1 1 220.272 0.692 40 0 BCABMO Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](CO)C1 ZINC000127241899 385317618 /nfs/dbraw/zinc/31/76/18/385317618.db2.gz DJZWCPMXNQYJMI-SNVBAGLBSA-N 1 1 209.293 0.841 40 0 BCABMO CCCC(=O)NCCC[NH+]1CCOCC1 ZINC000020356083 385458575 /nfs/dbraw/zinc/45/85/75/385458575.db2.gz WFFYCIOOXZPCRO-UHFFFAOYSA-N 1 1 214.309 0.625 40 0 BCABMO CC(=O)N[C@@H]1C[N@H+](CCC(F)(F)F)C[C@H]1O ZINC000257282828 385761104 /nfs/dbraw/zinc/76/11/04/385761104.db2.gz OVLSEWOIDUSIII-HTQZYQBOSA-N 1 1 240.225 0.120 40 0 BCABMO CC(=O)N[C@@H]1C[N@@H+](CCC(F)(F)F)C[C@H]1O ZINC000257282828 385761109 /nfs/dbraw/zinc/76/11/09/385761109.db2.gz OVLSEWOIDUSIII-HTQZYQBOSA-N 1 1 240.225 0.120 40 0 BCABMO CNc1ncc(CNCC[NH+](C)C)cn1 ZINC000062718394 385726062 /nfs/dbraw/zinc/72/60/62/385726062.db2.gz OAXKGDZEOWRTSA-UHFFFAOYSA-N 1 1 209.297 0.170 40 0 BCABMO CCCn1ccc(-c2noc(C[NH3+])n2)n1 ZINC000096524398 387039520 /nfs/dbraw/zinc/03/95/20/387039520.db2.gz HRWGCNTWFGGCRG-UHFFFAOYSA-N 1 1 207.237 0.802 40 0 BCABMO COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@H+]12 ZINC000216526280 388356695 /nfs/dbraw/zinc/35/66/95/388356695.db2.gz MQZINACZCKFGSR-ZNSHCXBVSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C(=O)[C@@H]1CCC[N@@H+]12 ZINC000216526280 388356696 /nfs/dbraw/zinc/35/66/96/388356696.db2.gz MQZINACZCKFGSR-ZNSHCXBVSA-N 1 1 237.299 0.991 40 0 BCABMO CON(C)C(=O)[C@H]1C[N@@H+](C)CC(C)(C)O1 ZINC000242581746 388399674 /nfs/dbraw/zinc/39/96/74/388399674.db2.gz OECGXHRSVPJELG-MRVPVSSYSA-N 1 1 216.281 0.115 40 0 BCABMO CN1C(=O)CO[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000067897239 388408203 /nfs/dbraw/zinc/40/82/03/388408203.db2.gz OGCNNZFOOAQBQZ-OLZOCXBDSA-N 1 1 246.310 0.728 40 0 biogenic,in-vitro BCABMO C[NH2+][C@H](C)CNC(=O)c1cnccc1N ZINC000261543214 388582956 /nfs/dbraw/zinc/58/29/56/388582956.db2.gz HQHJPFJZHWVQHQ-SSDOTTSWSA-N 1 1 208.265 0.002 40 0 BCABMO C[N@H+]1CC[C@@H](O)[C@H](Cc2ccccn2)C1 ZINC000252515878 388654354 /nfs/dbraw/zinc/65/43/54/388654354.db2.gz OGGWQOJFGKKYML-ZYHUDNBSSA-N 1 1 206.289 0.937 40 0 BCABMO Cc1ccc([C@@H]([NH3+])c2nc(N)n[nH]2)cc1 ZINC000095534195 388777590 /nfs/dbraw/zinc/77/75/90/388777590.db2.gz AVAKKSUFIVLNOF-MRVPVSSYSA-N 1 1 203.249 0.743 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[C@@H](O)[C@H]1CCC[N@@H+]12 ZINC000242495878 388818447 /nfs/dbraw/zinc/81/84/47/388818447.db2.gz GRLNGRUGXJVCJH-IYKVGLELSA-N 1 1 239.315 0.783 40 0 BCABMO CCN1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000043567889 132224849 /nfs/dbraw/zinc/22/48/49/132224849.db2.gz MSXVVUJRDQQZKI-UHFFFAOYSA-N 1 1 206.293 0.806 40 0 BCABMO CC(C)NC(=O)[C@]12COC[C@H]1C[N@@H+](C)C2 ZINC000096220252 167084491 /nfs/dbraw/zinc/08/44/91/167084491.db2.gz UGVFSMGTSWTKPK-MWLCHTKSSA-N 1 1 212.293 0.089 40 0 BCABMO CC1CCC(O)(C[N@@H+]2CC[C@@H](N)C2)CC1 ZINC000096511429 168166632 /nfs/dbraw/zinc/16/66/32/168166632.db2.gz SRGPEYUUUDNDMZ-MOENNCHZSA-N 1 1 212.337 0.961 40 0 BCABMO CC1CCC(O)(C[N@H+]2CC[C@@H](N)C2)CC1 ZINC000096511429 168166633 /nfs/dbraw/zinc/16/66/33/168166633.db2.gz SRGPEYUUUDNDMZ-MOENNCHZSA-N 1 1 212.337 0.961 40 0 BCABMO CC1CCN(C(=O)C[N@H+]2CCC[C@H](O)C2)CC1 ZINC000047915755 168171596 /nfs/dbraw/zinc/17/15/96/168171596.db2.gz ODTKKYVRQFHFTB-LBPRGKRZSA-N 1 1 240.347 0.702 40 0 BCABMO CCOC(=O)[C@@H](C)CN1CC[NH+](C)CC1 ZINC000022035219 170245369 /nfs/dbraw/zinc/24/53/69/170245369.db2.gz PXVDCSSPQKCTDI-JTQLQIEISA-N 1 1 214.309 0.433 40 0 BCABMO CN(C)C(=O)[C@H]1CCC[N@@H+](C[C@@H]2CO2)C1 ZINC000095097809 172386397 /nfs/dbraw/zinc/38/63/97/172386397.db2.gz LTOJWAYLLJYTGZ-VHSXEESVSA-N 1 1 212.293 0.185 40 0 BCABMO Cn1nc([C@@H]2CCC[N@@H+](C)C2)cc1CCO ZINC000072382174 173022204 /nfs/dbraw/zinc/02/22/04/173022204.db2.gz YEGITIBOSYHBHD-SNVBAGLBSA-N 1 1 223.320 0.764 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000073369005 173040025 /nfs/dbraw/zinc/04/00/25/173040025.db2.gz JWYAXIZEPIZLBY-JTQLQIEISA-N 1 1 212.293 0.187 40 0 BCABMO C[NH+]1CCN(C(=O)Cc2ccccc2N)CC1 ZINC000020155708 173067810 /nfs/dbraw/zinc/06/78/10/173067810.db2.gz XJCVBRHDTDSGCB-UHFFFAOYSA-N 1 1 233.315 0.585 40 0 BCABMO CN1CC[N@@H+](C)C[C@H](Cc2ccccn2)C1=O ZINC000072352754 173073298 /nfs/dbraw/zinc/07/32/98/173073298.db2.gz OWFXAYCCZOERPO-NSHDSACASA-N 1 1 233.315 0.644 40 0 BCABMO CN1CCN(CCOc2cc[nH+]c(N)c2)CC1 ZINC000098175311 173082295 /nfs/dbraw/zinc/08/22/95/173082295.db2.gz WVXIDSOQIAHIMJ-UHFFFAOYSA-N 1 1 236.319 0.290 40 0 BCABMO CNC(=O)[C@@H]1CCC[N@H+](Cc2nccn2C)C1 ZINC000072368063 173298477 /nfs/dbraw/zinc/29/84/77/173298477.db2.gz XVHYRWJTNQYZDF-SNVBAGLBSA-N 1 1 236.319 0.378 40 0 BCABMO CNC(=O)[C@@H]1CCC[N@@H+](Cc2nccn2C)C1 ZINC000072368063 173298478 /nfs/dbraw/zinc/29/84/78/173298478.db2.gz XVHYRWJTNQYZDF-SNVBAGLBSA-N 1 1 236.319 0.378 40 0 BCABMO CNC(=O)[C@@H]1CC[C@@H]2[C@@H](CC[N@H+]2CC2CC2)O1 ZINC000096057371 173300007 /nfs/dbraw/zinc/30/00/07/173300007.db2.gz ADJPYCVTEDPVOA-UTUOFQBUSA-N 1 1 238.331 0.764 40 0 BCABMO COCCCNC(=S)N1CC[NH+](C)CC1 ZINC000004216823 174245699 /nfs/dbraw/zinc/24/56/99/174245699.db2.gz CPNKZSOICHSEDV-UHFFFAOYSA-N 1 1 231.365 0.145 40 0 BCABMO COc1ccc(NC(=O)C[NH+](C)C)c(N)c1 ZINC000008703622 175141975 /nfs/dbraw/zinc/14/19/75/175141975.db2.gz PZBCNGGGWGBQFO-UHFFFAOYSA-N 1 1 223.276 0.778 40 0 BCABMO COc1cccc(C[NH+]2CCN(N)CC2)c1 ZINC000019167655 175258166 /nfs/dbraw/zinc/25/81/66/175258166.db2.gz OOYASMXZIUDMAY-UHFFFAOYSA-N 1 1 221.304 0.687 40 0 BCABMO C[C@@H]1CCCCN1C(=O)[C@H]1COCC[NH2+]1 ZINC000083871886 176067657 /nfs/dbraw/zinc/06/76/57/176067657.db2.gz HJGAXSWBBOVRSV-NXEZZACHSA-N 1 1 212.293 0.376 40 0 BCABMO C[C@@H](O)CN1C[C@H](C)[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000023477049 177256042 /nfs/dbraw/zinc/25/60/42/177256042.db2.gz DTQIXUAQWTUJSV-WRWGMCAJSA-N 1 1 230.352 0.143 40 0 BCABMO C[C@@H](O)CN1C[C@@H](C)[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000023477049 177256044 /nfs/dbraw/zinc/25/60/44/177256044.db2.gz DTQIXUAQWTUJSV-WRWGMCAJSA-N 1 1 230.352 0.143 40 0 BCABMO C[C@@H](O)CN1C[C@@H](C)[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000023477049 177256045 /nfs/dbraw/zinc/25/60/45/177256045.db2.gz DTQIXUAQWTUJSV-WRWGMCAJSA-N 1 1 230.352 0.143 40 0 BCABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccccn1 ZINC000072397593 177279779 /nfs/dbraw/zinc/27/97/79/177279779.db2.gz NIPJIWZVCCFHQE-FPMFFAJLSA-N 1 1 247.342 0.721 40 0 BCABMO O=C(CO)OC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000005480374 490192719 /nfs/dbraw/zinc/19/27/19/490192719.db2.gz WIHLNPZFQPHKLF-QWRGUYRKSA-N 1 1 227.304 0.786 40 0 BCABMO CC[N@H+]1CCN2[C@H](CN(C(C)=O)CC2(C)C)C1 ZINC000253408685 521702525 /nfs/dbraw/zinc/70/25/25/521702525.db2.gz YMATYKQEJCNJIQ-LBPRGKRZSA-N 1 1 239.363 0.633 40 0 biogenic,in-vitro BCABMO CC1(C)NC(=[NH2+])NC(=N)N1c1cccc(CO)c1 ZINC000017040297 534961983 /nfs/dbraw/zinc/96/19/83/534961983.db2.gz XNKSABHLNKPJGF-UHFFFAOYSA-N 1 1 247.302 0.364 40 0 BCABMO CC(C)C[N@H+]1CCOc2c(ncn(C)c2=O)C1 ZINC000306125865 535126870 /nfs/dbraw/zinc/12/68/70/535126870.db2.gz DEBLXVDSNCSLRH-UHFFFAOYSA-N 1 1 237.303 0.631 40 0 BCABMO [NH3+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000002512957 342721838 /nfs/dbraw/zinc/72/18/38/342721838.db2.gz CZCYWYTZXZUBOO-OLZOCXBDSA-N 1 1 220.316 0.828 40 0 BCABMO [NH3+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000002512957 342721839 /nfs/dbraw/zinc/72/18/39/342721839.db2.gz CZCYWYTZXZUBOO-OLZOCXBDSA-N 1 1 220.316 0.828 40 0 BCABMO Cc1cc(C[NH3+])cnc1N1CCN(C)CC1 ZINC000072222555 259320684 /nfs/dbraw/zinc/32/06/84/259320684.db2.gz CGBYDFFNVDKNAV-UHFFFAOYSA-N 1 1 220.320 0.601 40 0 BCABMO CN1C(=O)[C@@H]([NH3+])[C@@H]1c1ccc2c(c1)OCO2 ZINC000072228271 259322832 /nfs/dbraw/zinc/32/28/32/259322832.db2.gz KURBLQACPIAHPA-UWVGGRQHSA-N 1 1 220.228 0.256 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@H](C)[C@H]([C@H](C)O)[C@H]1C ZINC000242463472 398314386 /nfs/dbraw/zinc/31/43/86/398314386.db2.gz DCBCKPVQVGMBSL-HOTMZDKISA-N 1 1 215.293 0.543 40 0 BCABMO N[C@@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000218852790 398328951 /nfs/dbraw/zinc/32/89/51/398328951.db2.gz MUMDWSBDNNTCKK-VXGBXAGGSA-N 1 1 227.352 0.178 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1O ZINC000260858470 343131727 /nfs/dbraw/zinc/13/17/27/343131727.db2.gz WYULCMDCPPGORM-GMTAPVOTSA-N 1 1 243.303 0.021 40 0 BCABMO COC(=O)[C@H](C)C[NH2+]CCCN(C)C ZINC000035133546 343286398 /nfs/dbraw/zinc/28/63/98/343286398.db2.gz UHZBRCRZQLOYJA-SECBINFHSA-N 1 1 202.298 0.337 40 0 BCABMO CC[NH+](CC)CCN[C@@H](C)CC(=O)OC ZINC000035748246 343303411 /nfs/dbraw/zinc/30/34/11/343303411.db2.gz GQXDIZLAPOHBPH-JTQLQIEISA-N 1 1 216.325 0.869 40 0 BCABMO C[NH2+]CC(=O)N1CCN(CCC(C)C)CC1 ZINC000037823617 343783236 /nfs/dbraw/zinc/78/32/36/343783236.db2.gz DXKPUHGPPKMQPV-UHFFFAOYSA-N 1 1 227.352 0.396 40 0 BCABMO CC(=O)N1CCN(c2cc(N)nc(C)[nH+]2)CC1 ZINC000127827683 343787743 /nfs/dbraw/zinc/78/77/43/343787743.db2.gz CCHHFYSRUNTYDU-UHFFFAOYSA-N 1 1 235.291 0.036 40 0 BCABMO CC(=O)N1CCC([N@H+]2CC[C@@H](CO)C2)CC1 ZINC000309297428 343790626 /nfs/dbraw/zinc/79/06/26/343790626.db2.gz LHZJJTFXNDUOLP-LLVKDONJSA-N 1 1 226.320 0.312 40 0 BCABMO Cc1nc(N2CCC2)cc(N2CC[NH2+]CC2)n1 ZINC000409427178 343800155 /nfs/dbraw/zinc/80/01/55/343800155.db2.gz HUOUSGOIDHPLQF-UHFFFAOYSA-N 1 1 233.319 0.405 40 0 BCABMO COC(=O)[C@@H]1C[N@H+](C(C)(C)C)CC[C@H]1O ZINC000409423100 343814919 /nfs/dbraw/zinc/81/49/19/343814919.db2.gz ORRPEJZGYDZXNJ-RKDXNWHRSA-N 1 1 215.293 0.641 40 0 BCABMO CC[N@H+]1CCCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409423404 343815269 /nfs/dbraw/zinc/81/52/69/343815269.db2.gz BPPOLMZTVXAYKR-LLVKDONJSA-N 1 1 222.292 0.965 40 0 BCABMO OCc1cn([C@H]2CC[N@H+](C3CCCC3)C2)nn1 ZINC000409425055 343818096 /nfs/dbraw/zinc/81/80/96/343818096.db2.gz JFKMLGGZEOFSHJ-LBPRGKRZSA-N 1 1 236.319 0.960 40 0 BCABMO OCc1cn(C[C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409425076 343818252 /nfs/dbraw/zinc/81/82/52/343818252.db2.gz JKENFRWTVJJVRU-NSHDSACASA-N 1 1 236.319 0.502 40 0 BCABMO O=Cc1cn(C[C@@H]2CC[N@@H+](CCF)C2)nn1 ZINC000409425681 343820165 /nfs/dbraw/zinc/82/01/65/343820165.db2.gz MPADJLSRTIXYRB-SECBINFHSA-N 1 1 226.255 0.382 40 0 BCABMO O=Cc1cn(C[C@@H]2CC[N@H+](CCF)C2)nn1 ZINC000409425681 343820167 /nfs/dbraw/zinc/82/01/67/343820167.db2.gz MPADJLSRTIXYRB-SECBINFHSA-N 1 1 226.255 0.382 40 0 BCABMO O=Cc1cn(C[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC000409425698 343820453 /nfs/dbraw/zinc/82/04/53/343820453.db2.gz MPADJLSRTIXYRB-VIFPVBQESA-N 1 1 226.255 0.382 40 0 BCABMO O=Cc1cn(C[C@H]2CC[N@H+](CCF)C2)nn1 ZINC000409425698 343820456 /nfs/dbraw/zinc/82/04/56/343820456.db2.gz MPADJLSRTIXYRB-VIFPVBQESA-N 1 1 226.255 0.382 40 0 BCABMO COCCN1CCN(C2CC[NH2+]CC2)CC1 ZINC000409429825 343806715 /nfs/dbraw/zinc/80/67/15/343806715.db2.gz PHYUYUSSTODKSW-UHFFFAOYSA-N 1 1 227.352 0.002 40 0 BCABMO CCOC[C@H]1C[N@@H+](CCO)CC1(C)C ZINC000409430778 343809191 /nfs/dbraw/zinc/80/91/91/343809191.db2.gz IZOOCWNILIMTGF-SNVBAGLBSA-N 1 1 201.310 0.973 40 0 BCABMO [NH3+]CCCN1CCC[C@]2(C[C@@H](O)CCO2)C1 ZINC000409430728 343809345 /nfs/dbraw/zinc/80/93/45/343809345.db2.gz IXKWAJDLYCPCAJ-RYUDHWBXSA-N 1 1 228.336 0.341 40 0 BCABMO Cn1ccc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000409440072 343853923 /nfs/dbraw/zinc/85/39/23/343853923.db2.gz VPLVBHAOBKKPPA-JTQLQIEISA-N 1 1 209.293 0.592 40 0 BCABMO NCC(=O)N[C@@H]1CCC[C@@H]1[NH+]1CCCC1 ZINC000409441192 343855558 /nfs/dbraw/zinc/85/55/58/343855558.db2.gz NSQGPBFSHAZUEP-ZJUUUORDSA-N 1 1 211.309 0.078 40 0 BCABMO CCO[C@H]1CN(c2[nH+]cccc2N)C[C@H]1OC ZINC000409434406 343831592 /nfs/dbraw/zinc/83/15/92/343831592.db2.gz PBHMHOWBKGGYRC-MNOVXSKESA-N 1 1 237.303 0.904 40 0 BCABMO CO[C@@H]1CCO[C@@]2(CC[N@@H+](CCO)C2)C1 ZINC000409435054 343835729 /nfs/dbraw/zinc/83/57/29/343835729.db2.gz SCTJRWBKJZWMRO-MNOVXSKESA-N 1 1 215.293 0.249 40 0 BCABMO CCC[C@@H]1CN(CCC[NH3+])CC[C@@H]1O ZINC000409435089 343836358 /nfs/dbraw/zinc/83/63/58/343836358.db2.gz SHABCNHOKJBKPS-MNOVXSKESA-N 1 1 200.326 0.818 40 0 BCABMO CC(C)C[C@H]1C[N@@H+](CCO)CC[C@@H]1O ZINC000409436158 343837484 /nfs/dbraw/zinc/83/74/84/343837484.db2.gz YJNOKTVWYMZEFA-QWRGUYRKSA-N 1 1 201.310 0.708 40 0 BCABMO [NH3+]Cc1nc([C@@H]([C@@H]2CCOC2)n2cccc2)no1 ZINC000409442055 343856754 /nfs/dbraw/zinc/85/67/54/343856754.db2.gz SPKLOCQMUHFEFT-MWLCHTKSSA-N 1 1 248.286 0.956 40 0 BCABMO CCO[C@@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1O ZINC000409436229 343837844 /nfs/dbraw/zinc/83/78/44/343837844.db2.gz YTRRTXFWAQGDER-VHSXEESVSA-N 1 1 223.276 0.250 40 0 BCABMO OC[C@@H]1C[N@H+](C2CC[NH2+]CC2)CC12CCC2 ZINC000409436368 343838769 /nfs/dbraw/zinc/83/87/69/343838769.db2.gz ZNUGAHIUKRSKPW-NSHDSACASA-N 1 1 224.348 0.833 40 0 BCABMO [NH3+]Cc1nc([C@@H]([C@H]2CCOC2)n2cccc2)no1 ZINC000409442050 343856894 /nfs/dbraw/zinc/85/68/94/343856894.db2.gz SPKLOCQMUHFEFT-GXSJLCMTSA-N 1 1 248.286 0.956 40 0 BCABMO [NH3+]Cc1noc([C@H]([C@@H]2CCOC2)n2cccc2)n1 ZINC000409442495 343858420 /nfs/dbraw/zinc/85/84/20/343858420.db2.gz VZJSLLTZYNRETP-KOLCDFICSA-N 1 1 248.286 0.956 40 0 BCABMO CC(C)[N@@H+]1Cc2ncn(C)c2C[C@H]1CO ZINC000585094686 344129589 /nfs/dbraw/zinc/12/95/89/344129589.db2.gz HNYJEAHGUOBTNT-VIFPVBQESA-N 1 1 209.293 0.548 40 0 BCABMO CC(C)[N@H+]1Cc2ncn(C)c2C[C@H]1CO ZINC000585094686 344129591 /nfs/dbraw/zinc/12/95/91/344129591.db2.gz HNYJEAHGUOBTNT-VIFPVBQESA-N 1 1 209.293 0.548 40 0 BCABMO Cn1cnc2c1C[C@H](CO)[N@@H+](CC1CCC1)C2 ZINC000585094853 344129661 /nfs/dbraw/zinc/12/96/61/344129661.db2.gz QEUDYEBABRJQAL-LLVKDONJSA-N 1 1 235.331 0.939 40 0 BCABMO CC(C)C[N@@H+]1C[C@@H]2[C@H](C1)CNC(=O)[C@H]2C ZINC000096066500 344366006 /nfs/dbraw/zinc/36/60/06/344366006.db2.gz UFUKOMPDUGTWCO-DCAQKATOSA-N 1 1 210.321 0.956 40 0 BCABMO CC(C)CCNC(=O)C[N@@H+]1CC[C@@H](O)C1 ZINC000061707762 344357244 /nfs/dbraw/zinc/35/72/44/344357244.db2.gz SPPQWCIZFBMFNE-SNVBAGLBSA-N 1 1 214.309 0.215 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CC[C@@H](O)C1 ZINC000061707762 344357245 /nfs/dbraw/zinc/35/72/45/344357245.db2.gz SPPQWCIZFBMFNE-SNVBAGLBSA-N 1 1 214.309 0.215 40 0 BCABMO Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](O)C1 ZINC000075135138 345843462 /nfs/dbraw/zinc/84/34/62/345843462.db2.gz IJASTZFFCNZPQM-JTQLQIEISA-N 1 1 209.293 0.604 40 0 BCABMO Cc1nccc(C2(C)CC[NH+](CC(N)=O)CC2)n1 ZINC000205675295 347453981 /nfs/dbraw/zinc/45/39/81/347453981.db2.gz JTAKQQSAAIWCIY-UHFFFAOYSA-N 1 1 248.330 0.624 40 0 BCABMO Nc1cccc(NC(=O)CC[NH+]2CCOCC2)c1 ZINC000022153909 347600514 /nfs/dbraw/zinc/60/05/14/347600514.db2.gz AFNWPNDELCUDIR-UHFFFAOYSA-N 1 1 249.314 0.930 40 0 BCABMO CN(C)C(=O)[C@H]1CCCN1c1[nH+]cccc1N ZINC000036132144 259411991 /nfs/dbraw/zinc/41/19/91/259411991.db2.gz ZVFRAIXVBZDGEP-SNVBAGLBSA-N 1 1 234.303 0.721 40 0 BCABMO CO[C@@H]1CN(CCC[NH3+])C[C@H]1n1cccn1 ZINC000409434220 350473568 /nfs/dbraw/zinc/47/35/68/350473568.db2.gz OPLZGDDRRLENTQ-GHMZBOCLSA-N 1 1 224.308 0.104 40 0 BCABMO CC[NH+]1CCN(C(=S)NCCOC)CC1 ZINC000004216687 352417815 /nfs/dbraw/zinc/41/78/15/352417815.db2.gz WJDURXPWSMOTFA-UHFFFAOYSA-N 1 1 231.365 0.145 40 0 BCABMO CNC(=O)c1cccc([C@H]2C[N@@H+](C)CCN2C)c1 ZINC000072366541 188132016 /nfs/dbraw/zinc/13/20/16/188132016.db2.gz MCJHKNCBKRHXSA-CYBMUJFWSA-N 1 1 247.342 0.965 40 0 BCABMO C([C@@H]1CCCO1)N1CCOC2(CC[NH2+]CC2)C1 ZINC000096531577 188148058 /nfs/dbraw/zinc/14/80/58/188148058.db2.gz NOZCQDCYRYNLRI-LBPRGKRZSA-N 1 1 240.347 0.620 40 0 BCABMO CC(=O)NC[C@H]1[NH2+]CCc2c1ncn2C(C)C ZINC000306142933 188219206 /nfs/dbraw/zinc/21/92/06/188219206.db2.gz XONCFBAZVJFUMW-SNVBAGLBSA-N 1 1 236.319 0.787 40 0 BCABMO Cc1cc(C)nc(-n2nc(C[NH+](C)C)cc2N)n1 ZINC000026512351 357164864 /nfs/dbraw/zinc/16/48/64/357164864.db2.gz WWWMIFRMYXFQLP-UHFFFAOYSA-N 1 1 246.318 0.923 40 0 BCABMO O=C(C[N@@H+]1CCC[C@@H](O)C1)N1CCCCCC1 ZINC000047915714 358607542 /nfs/dbraw/zinc/60/75/42/358607542.db2.gz YKAFWSHVUHEDQJ-GFCCVEGCSA-N 1 1 240.347 0.846 40 0 BCABMO NCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000079404053 181352548 /nfs/dbraw/zinc/35/25/48/181352548.db2.gz UFPNGJVADXICDU-ZDUSSCGKSA-N 1 1 247.342 0.726 40 0 BCABMO NCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000079404053 181352549 /nfs/dbraw/zinc/35/25/49/181352549.db2.gz UFPNGJVADXICDU-ZDUSSCGKSA-N 1 1 247.342 0.726 40 0 BCABMO [NH3+]CCC(=O)N1CCNC[C@H]1c1ccccc1 ZINC000169809362 181366565 /nfs/dbraw/zinc/36/65/65/181366565.db2.gz JYHAEERNQQKMSO-LBPRGKRZSA-N 1 1 233.315 0.508 40 0 BCABMO CCOC(=O)[C@@H]1[NH2+][C@H](C)[C@@H]([C@@H](C)O)[C@@H]1C ZINC000216352340 371748580 /nfs/dbraw/zinc/74/85/80/371748580.db2.gz DCBCKPVQVGMBSL-LOLPMWEVSA-N 1 1 215.293 0.543 40 0 BCABMO O=C(NCC(F)(F)F)c1[nH]nc2c1C[NH2+]C2 ZINC000096516099 182122936 /nfs/dbraw/zinc/12/29/36/182122936.db2.gz ZMZMVZIJJXIXKH-UHFFFAOYSA-N 1 1 234.181 0.305 40 0 BCABMO OCc1cn([C@@H]2CCC[N@H+](C3CCC3)C2)nn1 ZINC000328775558 183169070 /nfs/dbraw/zinc/16/90/70/183169070.db2.gz KQVACKMILQEJMQ-GFCCVEGCSA-N 1 1 236.319 0.960 40 0 BCABMO O[C@H]1C[N@H+](Cc2cc[nH]n2)CC[C@@]12CCCO2 ZINC000257339557 183243783 /nfs/dbraw/zinc/24/37/83/183243783.db2.gz ZCGGXXACTPELBM-RYUDHWBXSA-N 1 1 237.303 0.526 40 0 BCABMO O[C@H]1C[N@@H+](Cc2cc[nH]n2)CC[C@@]12CCCO2 ZINC000257339557 183243786 /nfs/dbraw/zinc/24/37/86/183243786.db2.gz ZCGGXXACTPELBM-RYUDHWBXSA-N 1 1 237.303 0.526 40 0 BCABMO CO[C@H]1CCO[C@]2(CCC[N@@H+](CCO)C2)C1 ZINC000409434130 383829004 /nfs/dbraw/zinc/82/90/04/383829004.db2.gz ODFDTEUBQDAUTN-NWDGAFQWSA-N 1 1 229.320 0.639 40 0 BCABMO CO[C@H]1CC[C@H](O)[C@H](C(=O)C[NH+](C)C)C1 ZINC000004722608 384078297 /nfs/dbraw/zinc/07/82/97/384078297.db2.gz ZXDNAIGDURZJFE-AEJSXWLSSA-N 1 1 215.293 0.293 40 0 BCABMO CC(=O)N1CCC[C@H]1C[N@@H+](CCO)C1CC1 ZINC000079405470 384133356 /nfs/dbraw/zinc/13/33/56/384133356.db2.gz USHOFHQECCKRLF-LBPRGKRZSA-N 1 1 226.320 0.454 40 0 BCABMO CC[N@@H+](CCO)C[C@H]1CCCN1C(C)=O ZINC000079405333 384133464 /nfs/dbraw/zinc/13/34/64/384133464.db2.gz ODHACJVWSDKCHO-LLVKDONJSA-N 1 1 214.309 0.312 40 0 BCABMO CC(=O)N1CC[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079405476 384133848 /nfs/dbraw/zinc/13/38/48/384133848.db2.gz NNLCAAWQDVHHOI-NSHDSACASA-N 1 1 226.320 0.312 40 0 BCABMO CC(=O)N1CC[C@@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079405481 384134197 /nfs/dbraw/zinc/13/41/97/384134197.db2.gz NNLCAAWQDVHHOI-LLVKDONJSA-N 1 1 226.320 0.312 40 0 BCABMO CC(=O)N1CC[C@H]([N@@H+](CCO)C2CC2)C1 ZINC000079405456 384132191 /nfs/dbraw/zinc/13/21/91/384132191.db2.gz NKSBJISOMADKDY-NSHDSACASA-N 1 1 212.293 0.064 40 0 BCABMO CC(=O)N[C@@H]1CCCC[C@@H]1[N@@H+](C)CCO ZINC000079405309 384132767 /nfs/dbraw/zinc/13/27/67/384132767.db2.gz PAQWQXHHQFYBJS-MNOVXSKESA-N 1 1 214.309 0.358 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@H+](C)CCN)C1 ZINC000079422646 384146698 /nfs/dbraw/zinc/14/66/98/384146698.db2.gz QAVQJHXXXNIGII-LLVKDONJSA-N 1 1 213.325 0.135 40 0 BCABMO CC(=O)N1CCC[C@H](C[N@@H+](C)CCN)C1 ZINC000079422646 384146699 /nfs/dbraw/zinc/14/66/99/384146699.db2.gz QAVQJHXXXNIGII-LLVKDONJSA-N 1 1 213.325 0.135 40 0 BCABMO CC[N@H+](CCN)[C@H]1CCCC[C@@H]1NC(C)=O ZINC000079422734 384146831 /nfs/dbraw/zinc/14/68/31/384146831.db2.gz AJAHCNYNTURMGC-RYUDHWBXSA-N 1 1 227.352 0.714 40 0 BCABMO CC[N@@H+](CCN)[C@H]1CCCC[C@@H]1NC(C)=O ZINC000079422734 384146832 /nfs/dbraw/zinc/14/68/32/384146832.db2.gz AJAHCNYNTURMGC-RYUDHWBXSA-N 1 1 227.352 0.714 40 0 BCABMO CC(=O)N1CCC[C@H]1C[N@@H+](CCN)C(C)C ZINC000079422749 384146977 /nfs/dbraw/zinc/14/69/77/384146977.db2.gz QLGRTTVQBLFSHV-LBPRGKRZSA-N 1 1 227.352 0.666 40 0 BCABMO CC(=O)N1CCC[C@H]1C[N@H+](CCN)C(C)C ZINC000079422749 384146979 /nfs/dbraw/zinc/14/69/79/384146979.db2.gz QLGRTTVQBLFSHV-LBPRGKRZSA-N 1 1 227.352 0.666 40 0 BCABMO CC[N@H+](CCN)[C@@H]1CCCC[C@@H]1NC(C)=O ZINC000079422730 384147118 /nfs/dbraw/zinc/14/71/18/384147118.db2.gz AJAHCNYNTURMGC-NWDGAFQWSA-N 1 1 227.352 0.714 40 0 BCABMO CC[N@@H+](CCN)[C@@H]1CCCC[C@@H]1NC(C)=O ZINC000079422730 384147121 /nfs/dbraw/zinc/14/71/21/384147121.db2.gz AJAHCNYNTURMGC-NWDGAFQWSA-N 1 1 227.352 0.714 40 0 BCABMO NC[C@H](CO)C1([NH+]2CCCC2)CCCC1 ZINC000072210391 384154544 /nfs/dbraw/zinc/15/45/44/384154544.db2.gz DDNPDMGYKJEXSX-LLVKDONJSA-N 1 1 212.337 0.962 40 0 BCABMO CCN(C[C@@H]1CCC[N@@H+](CCO)C1)C(C)=O ZINC000079416453 384138836 /nfs/dbraw/zinc/13/88/36/384138836.db2.gz DHOPRZQTHZKBBG-GFCCVEGCSA-N 1 1 228.336 0.559 40 0 BCABMO CC(=O)N(C[C@H]1CCC[N@@H+](CCO)C1)C(C)C ZINC000079416526 384138862 /nfs/dbraw/zinc/13/88/62/384138862.db2.gz RYSQBIPXQADSJX-ZDUSSCGKSA-N 1 1 242.363 0.948 40 0 BCABMO CC(=O)N(C1CC1)[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079416571 384139658 /nfs/dbraw/zinc/13/96/58/384139658.db2.gz ORVBHWNDFMSBTF-GFCCVEGCSA-N 1 1 226.320 0.454 40 0 BCABMO CC(C)[N@@H+](C)[C@@H]1CCCN(CCO)C1 ZINC000079418486 384142031 /nfs/dbraw/zinc/14/20/31/384142031.db2.gz RRAOJWNLOLLWRJ-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)[N@@H+](C)C[C@H]1CC[NH+](CC(=O)[O-])C1 ZINC000079419729 384142562 /nfs/dbraw/zinc/14/25/62/384142562.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[NH+](C)C[C@H]1CC[N@H+](CC(=O)[O-])C1 ZINC000079419729 384142569 /nfs/dbraw/zinc/14/25/69/384142569.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 1 1 214.309 0.733 40 0 BCABMO CC(C)[NH+](C)C[C@H]1CC[N@@H+](CC(=O)[O-])C1 ZINC000079419729 384142572 /nfs/dbraw/zinc/14/25/72/384142572.db2.gz YYRIJCHTKCTATL-SNVBAGLBSA-N 1 1 214.309 0.733 40 0 BCABMO Cc1cc(=O)[nH]c([C@@H]2CCCC[N@H+]2CCO)n1 ZINC000072356878 384211503 /nfs/dbraw/zinc/21/15/03/384211503.db2.gz CDWUMLNFJWYWRT-JTQLQIEISA-N 1 1 237.303 0.598 40 0 BCABMO C[NH+]1CCC(c2cc(CCO)[nH]n2)CC1 ZINC000072381199 384216154 /nfs/dbraw/zinc/21/61/54/384216154.db2.gz QVKVBOPZBYPUHP-UHFFFAOYSA-N 1 1 209.293 0.754 40 0 BCABMO Cn1cc(C[N@H+]2CCC[C@](C)(C(N)=O)C2)cn1 ZINC000072378227 384216615 /nfs/dbraw/zinc/21/66/15/384216615.db2.gz PNTMBCBWVPFTPN-LBPRGKRZSA-N 1 1 236.319 0.508 40 0 BCABMO Cn1ncc(C[NH3+])c1CN1CCCCC1 ZINC000082640802 384254184 /nfs/dbraw/zinc/25/41/84/384254184.db2.gz GDYOSIRWUBMAFP-UHFFFAOYSA-N 1 1 208.309 0.865 40 0 BCABMO CC[N@@H+](CCN)[C@H]1CC[C@H](NC(C)=O)CC1 ZINC000100178633 384279452 /nfs/dbraw/zinc/27/94/52/384279452.db2.gz QJRZGGLOIWZAMR-TXEJJXNPSA-N 1 1 227.352 0.714 40 0 BCABMO CCN(CC[NH3+])[C@H]1CC[C@H](NC(C)=O)CC1 ZINC000100178633 384279457 /nfs/dbraw/zinc/27/94/57/384279457.db2.gz QJRZGGLOIWZAMR-TXEJJXNPSA-N 1 1 227.352 0.714 40 0 BCABMO C[NH+](C)C1CCC([N@@H+](C)CC(=O)[O-])CC1 ZINC000083318519 384287368 /nfs/dbraw/zinc/28/73/68/384287368.db2.gz YTNRKKINRUNGCM-UHFFFAOYSA-N 1 1 214.309 0.876 40 0 BCABMO CC[N@H+](CC(=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000083318735 384290394 /nfs/dbraw/zinc/29/03/94/384290394.db2.gz IDSIUHIXURORSG-JTQLQIEISA-N 1 1 214.309 0.735 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000083318735 384290400 /nfs/dbraw/zinc/29/04/00/384290400.db2.gz IDSIUHIXURORSG-JTQLQIEISA-N 1 1 214.309 0.735 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000083318735 384290403 /nfs/dbraw/zinc/29/04/03/384290403.db2.gz IDSIUHIXURORSG-JTQLQIEISA-N 1 1 214.309 0.735 40 0 BCABMO C[NH+]1CCC([N@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083318614 384290674 /nfs/dbraw/zinc/29/06/74/384290674.db2.gz RJPIAXYAIBIHLF-UHFFFAOYSA-N 1 1 212.293 0.630 40 0 BCABMO C[NH+]1CCC([N@@H+](CC(=O)[O-])C2CC2)CC1 ZINC000083318614 384290679 /nfs/dbraw/zinc/29/06/79/384290679.db2.gz RJPIAXYAIBIHLF-UHFFFAOYSA-N 1 1 212.293 0.630 40 0 BCABMO O=C(C[N@H+]1CC[C@@H](O)C1)NC1CCCC1 ZINC000061709108 384397932 /nfs/dbraw/zinc/39/79/32/384397932.db2.gz MJIGXNMMRIXWFE-SNVBAGLBSA-N 1 1 212.293 0.112 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](O)C1)NC1CCCC1 ZINC000061709108 384397936 /nfs/dbraw/zinc/39/79/36/384397936.db2.gz MJIGXNMMRIXWFE-SNVBAGLBSA-N 1 1 212.293 0.112 40 0 BCABMO O=C(C[N@H+]1CC[C@H](O)C1)NCc1ccccc1 ZINC000061707806 384398106 /nfs/dbraw/zinc/39/81/06/384398106.db2.gz RIEJFLFXGCMBRP-LBPRGKRZSA-N 1 1 234.299 0.369 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](O)C1)NCc1ccccc1 ZINC000061707806 384398112 /nfs/dbraw/zinc/39/81/12/384398112.db2.gz RIEJFLFXGCMBRP-LBPRGKRZSA-N 1 1 234.299 0.369 40 0 BCABMO O=C1C[C@H]2[C@H](CC[N@@H+]2CCO)N1c1cccnc1 ZINC000096246036 384447036 /nfs/dbraw/zinc/44/70/36/384447036.db2.gz OQCZYVFXNKEBKJ-RYUDHWBXSA-N 1 1 247.298 0.254 40 0 BCABMO O=C1Nc2ccccc2C[C@@]12CC[N@H+](CCO)C2 ZINC000096157391 384439743 /nfs/dbraw/zinc/43/97/43/384439743.db2.gz DCXVFWJNKLNABZ-CQSZACIVSA-N 1 1 246.310 0.866 40 0 BCABMO c1cncc(CO[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)c1 ZINC000096511348 384462629 /nfs/dbraw/zinc/46/26/29/384462629.db2.gz RDRYQRIXBSDCNR-CHWSQXEVSA-N 1 1 233.315 0.644 40 0 BCABMO c1cncc(CO[C@@H]2C[C@@H]3CNCC[N@H+]3C2)c1 ZINC000096511348 384462637 /nfs/dbraw/zinc/46/26/37/384462637.db2.gz RDRYQRIXBSDCNR-CHWSQXEVSA-N 1 1 233.315 0.644 40 0 BCABMO Nc1ccc[nH+]c1NCCCN1CCOCC1 ZINC000020278621 384609926 /nfs/dbraw/zinc/60/99/26/384609926.db2.gz NOTNCCSZEAPCHP-UHFFFAOYSA-N 1 1 236.319 0.798 40 0 BCABMO CC[C@@H](C)NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886651 385017459 /nfs/dbraw/zinc/01/74/59/385017459.db2.gz WNKMHUPWYJPRGZ-ZJUUUORDSA-N 1 1 214.309 0.215 40 0 BCABMO CN1CCO[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]21 ZINC000108528370 385050070 /nfs/dbraw/zinc/05/00/70/385050070.db2.gz VGWYTSGVSBMQPC-KBPBESRZSA-N 1 1 247.342 0.987 40 0 BCABMO C[C@@H]([NH3+])c1ccc(N2CCN(C)CC2)nc1 ZINC000072225532 385112390 /nfs/dbraw/zinc/11/23/90/385112390.db2.gz NJGWBRXZGRDKKT-SNVBAGLBSA-N 1 1 220.320 0.853 40 0 BCABMO CC(=O)[C@@H](C[NH+]1CCOCC1)C(C)(C)O ZINC000031947015 385114024 /nfs/dbraw/zinc/11/40/24/385114024.db2.gz OKACYUVIGLMUKQ-SNVBAGLBSA-N 1 1 215.293 0.295 40 0 BCABMO CC(=O)N1CCN(c2cc(C)c(CO)c[nH+]2)CC1 ZINC000072223724 385115031 /nfs/dbraw/zinc/11/50/31/385115031.db2.gz QAJOLGUBAOOBRB-UHFFFAOYSA-N 1 1 249.314 0.551 40 0 BCABMO Cc1cc(N2CCN(C=O)CC2)[nH+]cc1[C@@H](C)O ZINC000072223679 385115480 /nfs/dbraw/zinc/11/54/80/385115480.db2.gz INDBZFRRKJGZCK-LLVKDONJSA-N 1 1 249.314 0.722 40 0 BCABMO Cc1cc(CN2CCC(C[NH3+])CC2)[nH]n1 ZINC000096523643 385269386 /nfs/dbraw/zinc/26/93/86/385269386.db2.gz BBYORTUGIRCDGV-UHFFFAOYSA-N 1 1 208.309 0.889 40 0 BCABMO Cn1ccc(C[NH2+]CCN2CCCC2)n1 ZINC000096524387 385275148 /nfs/dbraw/zinc/27/51/48/385275148.db2.gz ABOCWIQNPFBYSL-UHFFFAOYSA-N 1 1 208.309 0.606 40 0 BCABMO Cc1noc([C@]2(C)CCC[N@@H+](CCO)C2)n1 ZINC000257207627 385752119 /nfs/dbraw/zinc/75/21/19/385752119.db2.gz BINSXSTYVGSVAC-LLVKDONJSA-N 1 1 225.292 0.724 40 0 BCABMO Cn1ccnc1C[N@H+]1CCC[C@@](C)(C(N)=O)C1 ZINC000257249244 385756586 /nfs/dbraw/zinc/75/65/86/385756586.db2.gz JHLZBNGGGPZURC-GFCCVEGCSA-N 1 1 236.319 0.508 40 0 BCABMO CC(=O)N[C@@H]1C[N@@H+](CCC(C)(C)C)C[C@H]1O ZINC000257302646 385762525 /nfs/dbraw/zinc/76/25/25/385762525.db2.gz SDRNCLAJCILOQT-GHMZBOCLSA-N 1 1 228.336 0.604 40 0 BCABMO C[N@H+]1C[C@H](C(N)=O)[C@@H](c2ccc(N)cc2)C1 ZINC000225607748 386613746 /nfs/dbraw/zinc/61/37/46/386613746.db2.gz YCCOQNRQQQVWEX-MNOVXSKESA-N 1 1 219.288 0.399 40 0 BCABMO O=c1ccnc(N2CC[N@H+]3CCC[C@H]3C2)[nH]1 ZINC000242539051 387128929 /nfs/dbraw/zinc/12/89/29/387128929.db2.gz JMXXAQYGEFKPCR-VIFPVBQESA-N 1 1 220.276 0.467 40 0 BCABMO COC(=O)[C@H]1CC[C@H]2[C@@H](C1)[C@@H](O)[C@@H]1CCC[N@@H+]12 ZINC000216526531 388356013 /nfs/dbraw/zinc/35/60/13/388356013.db2.gz GRLNGRUGXJVCJH-KZZRWZIVSA-N 1 1 239.315 0.783 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@@H](C1)[C@@H](O)[C@@H]1CCC[N@H+]21 ZINC000216526372 388356730 /nfs/dbraw/zinc/35/67/30/388356730.db2.gz GRLNGRUGXJVCJH-PZWNZHSQSA-N 1 1 239.315 0.783 40 0 BCABMO N[C@H]1CCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000218852863 388393204 /nfs/dbraw/zinc/39/32/04/388393204.db2.gz MUMDWSBDNNTCKK-NWDGAFQWSA-N 1 1 227.352 0.178 40 0 BCABMO CN(C)c1[nH+]c(CCO)c2n1CCCC2 ZINC000218890718 388394218 /nfs/dbraw/zinc/39/42/18/388394218.db2.gz COHQKDIFPXKTIP-UHFFFAOYSA-N 1 1 209.293 0.820 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)NC[C@H]2CCCO2)C1 ZINC000242944438 388475724 /nfs/dbraw/zinc/47/57/24/388475724.db2.gz HDJWVPLSEQLAIH-WDEREUQCSA-N 1 1 226.320 0.623 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000252516171 388654165 /nfs/dbraw/zinc/65/41/65/388654165.db2.gz QKLQLSZZCQLFTP-RYUDHWBXSA-N 1 1 233.315 0.660 40 0 BCABMO CC(C)NC(=S)NCCC[NH+]1CCOCC1 ZINC000028580076 167092831 /nfs/dbraw/zinc/09/28/31/167092831.db2.gz ZICWHVPMDFNIEG-UHFFFAOYSA-N 1 1 245.392 0.581 40 0 BCABMO CC[N@H+]1CCC2=NC(NC#N)=NC(=O)C2C1 ZINC000049474137 170025370 /nfs/dbraw/zinc/02/53/70/170025370.db2.gz IHNHTPDEYWYIOA-UHFFFAOYSA-N 1 1 219.248 0.453 40 0 BCABMO CCOC(=O)CCNCC[NH+](CC)CC ZINC000036667693 170208836 /nfs/dbraw/zinc/20/88/36/170208836.db2.gz JXCRMRSMKIXJLN-UHFFFAOYSA-N 1 1 216.325 0.871 40 0 BCABMO CCOCC(=O)N1CC[C@@]2(CC[N@H+]2CC)C1 ZINC000096075923 170341940 /nfs/dbraw/zinc/34/19/40/170341940.db2.gz ZVTREHVMOSMMLN-GFCCVEGCSA-N 1 1 226.320 0.720 40 0 BCABMO Cc1cc(NCC[NH3+])nc(NC2CC2)n1 ZINC000409429896 411646356 /nfs/dbraw/zinc/64/63/56/411646356.db2.gz UFPMZVXOXYPKRD-UHFFFAOYSA-N 1 1 207.281 0.730 40 0 BCABMO CC[C@H](C)NC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886652 171324985 /nfs/dbraw/zinc/32/49/85/171324985.db2.gz WNKMHUPWYJPRGZ-UWVGGRQHSA-N 1 1 214.309 0.215 40 0 BCABMO C[N@@H+]1CCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079407022 173052832 /nfs/dbraw/zinc/05/28/32/173052832.db2.gz QYHYXKDOOAEMBY-JTQLQIEISA-N 1 1 211.309 0.030 40 0 BCABMO C[N@H+]1CCC[C@H]1CN(C(=O)CN)C1CC1 ZINC000079407022 173052835 /nfs/dbraw/zinc/05/28/35/173052835.db2.gz QYHYXKDOOAEMBY-JTQLQIEISA-N 1 1 211.309 0.030 40 0 BCABMO CN1CCN(C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000019852585 173085713 /nfs/dbraw/zinc/08/57/13/173085713.db2.gz KMCHDYCSFDJBSI-AWEZNQCLSA-N 1 1 233.359 0.804 40 0 BCABMO C[N@H+]1CCOC[C@@H](Cc2ncccn2)C1 ZINC000257304405 173099151 /nfs/dbraw/zinc/09/91/51/173099151.db2.gz SLMRIGNNEZHCMV-JTQLQIEISA-N 1 1 207.277 0.597 40 0 BCABMO C[N@H+]1CCOC[C@H](Cc2cnccn2)C1 ZINC000257281529 173099924 /nfs/dbraw/zinc/09/99/24/173099924.db2.gz OPQCVLNQXKWTPI-SNVBAGLBSA-N 1 1 207.277 0.597 40 0 BCABMO C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H](O)C1 ZINC000005496263 173139412 /nfs/dbraw/zinc/13/94/12/173139412.db2.gz HAATVDDNXGDFHD-VXGBXAGGSA-N 1 1 207.273 0.571 40 0 BCABMO C[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000004777743 173189389 /nfs/dbraw/zinc/18/93/89/173189389.db2.gz CULUKMPMGVXCEI-ZJUUUORDSA-N 1 1 204.273 0.897 40 0 biogenic,in-vitro BCABMO CN1C[C@H](COCC2CC2)[C@]2(CC[NH2+]C2)C1 ZINC000306139208 173193238 /nfs/dbraw/zinc/19/32/38/173193238.db2.gz SSCWZVGLASQWRM-OLZOCXBDSA-N 1 1 224.348 0.954 40 0 BCABMO COCC[N@H+]1CCC[C@H]1c1cccc(C(N)=O)n1 ZINC000072355803 174307867 /nfs/dbraw/zinc/30/78/67/174307867.db2.gz KGICCZZTCNFNCT-LBPRGKRZSA-N 1 1 249.314 0.964 40 0 BCABMO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](C)CC1 ZINC000022585625 176066041 /nfs/dbraw/zinc/06/60/41/176066041.db2.gz YVYKZJJALXBMFR-GFCCVEGCSA-N 1 1 239.363 0.635 40 0 BCABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1cccn1C ZINC000072397673 176324613 /nfs/dbraw/zinc/32/46/13/176324613.db2.gz JNZVIYABDNXLCR-KWCYVHTRSA-N 1 1 249.358 0.664 40 0 BCABMO C[C@H](O)[C@H]([NH3+])C(=O)OCc1ccccc1 ZINC000034153900 177013449 /nfs/dbraw/zinc/01/34/49/177013449.db2.gz IHRYAQVOEVWURS-WPRPVWTQSA-N 1 1 209.245 0.438 40 0 BCABMO C[C@H]1CN(S(=O)(=O)c2ccccn2)CC[NH2+]1 ZINC000079440635 177273220 /nfs/dbraw/zinc/27/32/20/177273220.db2.gz QBSUJFRAVFMRLL-VIFPVBQESA-N 1 1 241.316 0.064 40 0 BCABMO [NH3+][C@@H]1CCN(C(=O)c2ccc3[nH]nnc3c2)C1 ZINC000409423315 323133587 /nfs/dbraw/zinc/13/35/87/323133587.db2.gz NJUIIEJMRBETOI-MRVPVSSYSA-N 1 1 231.259 0.131 40 0 BCABMO COc1ccc([C@@H](C(N)=O)[NH+](C)C)cc1 ZINC000058493577 398137108 /nfs/dbraw/zinc/13/71/08/398137108.db2.gz KTJIKTCRNPWQPD-JTQLQIEISA-N 1 1 208.261 0.783 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CCC[C@H](CO)C2)C1 ZINC000096629175 349444504 /nfs/dbraw/zinc/44/45/04/349444504.db2.gz HTCWKALJANRKCG-RYUDHWBXSA-N 1 1 240.347 0.559 40 0 BCABMO Cc1cc(NC(=O)[C@]2(C)C[N@H+](C)CCO2)n[nH]1 ZINC000072379370 178148932 /nfs/dbraw/zinc/14/89/32/178148932.db2.gz HNSYUQSNQBKCEQ-NSHDSACASA-N 1 1 238.291 0.377 40 0 BCABMO Cc1cc(NC(=O)[C@]2(C)C[N@@H+](C)CCO2)n[nH]1 ZINC000072379370 178148935 /nfs/dbraw/zinc/14/89/35/178148935.db2.gz HNSYUQSNQBKCEQ-NSHDSACASA-N 1 1 238.291 0.377 40 0 BCABMO Cc1cc([C@@H]2CCNC(=O)C2)c[nH+]c1N ZINC000199782311 178241465 /nfs/dbraw/zinc/24/14/65/178241465.db2.gz TUJZNKOLLZRELB-MRVPVSSYSA-N 1 1 205.261 0.966 40 0 BCABMO COC(=O)C[C@@H](C(=O)OC)[NH+]1CCC(C)CC1 ZINC000003881226 342738699 /nfs/dbraw/zinc/73/86/99/342738699.db2.gz YPFOWLLRKPTPRH-JTQLQIEISA-N 1 1 243.303 0.823 40 0 BCABMO Cc1cc(N2CCOCC2)[nH+]cc1CO ZINC000072223544 259321523 /nfs/dbraw/zinc/32/15/23/259321523.db2.gz XKILXFPJLFPMEM-UHFFFAOYSA-N 1 1 208.261 0.719 40 0 BCABMO NS(=O)(=O)c1ccc2c(c1)C[NH2+][C@H](CF)C2 ZINC000013517585 342867182 /nfs/dbraw/zinc/86/71/82/342867182.db2.gz JRESBJUYAQJNMA-VIFPVBQESA-N 1 1 244.291 0.318 40 0 BCABMO C[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000035222941 343303447 /nfs/dbraw/zinc/30/34/47/343303447.db2.gz CYYISHHAQAKICG-AAEUAGOBSA-N 1 1 247.342 0.724 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc2c(c1)OCO2 ZINC000096526024 343760094 /nfs/dbraw/zinc/76/00/94/343760094.db2.gz AUTQCVXYWUBPHR-MNOVXSKESA-N 1 1 234.255 0.646 40 0 BCABMO Nc1ccc(N2CCC(CO)CC2)[nH+]c1 ZINC000036720946 343779352 /nfs/dbraw/zinc/77/93/52/343779352.db2.gz JKFFDCVQSXZYSX-UHFFFAOYSA-N 1 1 207.277 0.873 40 0 BCABMO CNc1cc(N2CC[C@@H](O)C2)[nH+]c(C2CC2)n1 ZINC000127170123 343787752 /nfs/dbraw/zinc/78/77/52/343787752.db2.gz OURZUGKUUPMVTD-SECBINFHSA-N 1 1 234.303 0.967 40 0 BCABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886697 343788721 /nfs/dbraw/zinc/78/87/21/343788721.db2.gz VVUJJALLIWPADH-RYUDHWBXSA-N 1 1 240.347 0.702 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](CO)C1)N1CCCCC1 ZINC000051886611 343788907 /nfs/dbraw/zinc/78/89/07/343788907.db2.gz OLNGZLNDIGNYCJ-NSHDSACASA-N 1 1 226.320 0.313 40 0 BCABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000216418876 343792546 /nfs/dbraw/zinc/79/25/46/343792546.db2.gz DIDROFKUGWAWMA-VXGBXAGGSA-N 1 1 240.347 0.844 40 0 BCABMO COCC[NH+]1CCN(c2ccnc(F)c2)CC1 ZINC000409426851 343798948 /nfs/dbraw/zinc/79/89/48/343798948.db2.gz GVGIZVWKOGAIDC-UHFFFAOYSA-N 1 1 239.294 0.989 40 0 BCABMO OCc1cn(C2C[NH+](C3CCC3)C2)nn1 ZINC000409426961 343799375 /nfs/dbraw/zinc/79/93/75/343799375.db2.gz SWBVQELQRKAEBX-UHFFFAOYSA-N 1 1 208.265 0.180 40 0 BCABMO OCc1cn([C@H]2CCC[N@@H+](CC3CC3)C2)nn1 ZINC000409427129 343800103 /nfs/dbraw/zinc/80/01/03/343800103.db2.gz USDMUORZIBDGOF-LBPRGKRZSA-N 1 1 236.319 0.817 40 0 BCABMO OCc1cn([C@@H]2CCC[N@@H+](CC3CC3)C2)nn1 ZINC000409427127 343800187 /nfs/dbraw/zinc/80/01/87/343800187.db2.gz USDMUORZIBDGOF-GFCCVEGCSA-N 1 1 236.319 0.817 40 0 BCABMO CC[C@H](C)[N@H+]1CC[C@H](O)[C@@H](C(=O)OC)C1 ZINC000409421965 343812182 /nfs/dbraw/zinc/81/21/82/343812182.db2.gz ANKDVJPNWSMCOT-GUBZILKMSA-N 1 1 215.293 0.641 40 0 BCABMO OCc1cn([C@@H]2CC[N@H+](C3CCCC3)C2)nn1 ZINC000409425054 343818134 /nfs/dbraw/zinc/81/81/34/343818134.db2.gz JFKMLGGZEOFSHJ-GFCCVEGCSA-N 1 1 236.319 0.960 40 0 BCABMO OCc1cn([C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409425096 343818223 /nfs/dbraw/zinc/81/82/23/343818223.db2.gz JWBBACPKULUIDR-LLVKDONJSA-N 1 1 222.292 0.427 40 0 BCABMO OCc1cn(C[C@@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409425075 343818256 /nfs/dbraw/zinc/81/82/56/343818256.db2.gz JKENFRWTVJJVRU-LLVKDONJSA-N 1 1 236.319 0.502 40 0 BCABMO Nc1ccc[nH+]c1N1C[C@@H]2COC[C@@H]2C1 ZINC000409425655 343820276 /nfs/dbraw/zinc/82/02/76/343820276.db2.gz GJUJJOQFUIERJQ-DTORHVGOSA-N 1 1 205.261 0.746 40 0 BCABMO Cc1cc(N2CC[NH2+]CC2)nc(N2CCC2)n1 ZINC000409426087 343821537 /nfs/dbraw/zinc/82/15/37/343821537.db2.gz CVEZMYVMSOZXFN-UHFFFAOYSA-N 1 1 233.319 0.405 40 0 BCABMO CO[C@@]1(C(F)(F)F)CC[N@@H+](CCO)C1 ZINC000409432041 343825042 /nfs/dbraw/zinc/82/50/42/343825042.db2.gz KOFJLRYXLKOGIJ-ZETCQYMHSA-N 1 1 213.199 0.632 40 0 BCABMO CNc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ncn1 ZINC000409432590 343827044 /nfs/dbraw/zinc/82/70/44/343827044.db2.gz WIAJSBFWWOOXQS-AOOOYVTPSA-N 1 1 233.319 0.516 40 0 BCABMO C[N@H+]1CCCN(c2ccc(=O)[nH]n2)CC1 ZINC000409428451 343803709 /nfs/dbraw/zinc/80/37/09/343803709.db2.gz FKKSVPMTXXCEPP-UHFFFAOYSA-N 1 1 208.265 0.324 40 0 BCABMO CCO[C@H]1CN(c2[nH+]cccc2N)C[C@H]1O ZINC000409429004 343804608 /nfs/dbraw/zinc/80/46/08/343804608.db2.gz HFNYSCYXEBKYEM-ZJUUUORDSA-N 1 1 223.276 0.250 40 0 BCABMO CO[C@@H]1CN(CCC[NH3+])C[C@@H]1n1ccnc1 ZINC000409433487 343829014 /nfs/dbraw/zinc/82/90/14/343829014.db2.gz MVRDCEBVQZDTRX-WDEREUQCSA-N 1 1 224.308 0.104 40 0 BCABMO NCC[N@@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409433646 343829842 /nfs/dbraw/zinc/82/98/42/343829842.db2.gz NBDUAAAEAFHTHR-NSHDSACASA-N 1 1 212.337 0.820 40 0 BCABMO NCC[N@H+]1C[C@@H](CO)C2(C1)CCCCC2 ZINC000409433646 343829843 /nfs/dbraw/zinc/82/98/43/343829843.db2.gz NBDUAAAEAFHTHR-NSHDSACASA-N 1 1 212.337 0.820 40 0 BCABMO CCO[C@@H]1CN(c2[nH+]cccc2N)C[C@@H]1OC ZINC000409434408 343831475 /nfs/dbraw/zinc/83/14/75/343831475.db2.gz PBHMHOWBKGGYRC-WDEREUQCSA-N 1 1 237.303 0.904 40 0 BCABMO CCO[C@@H]1CN(CCC[NH3+])C[C@H]1OC ZINC000409436470 343838183 /nfs/dbraw/zinc/83/81/83/343838183.db2.gz ZZAAKRVVPNQTOU-NXEZZACHSA-N 1 1 202.298 0.071 40 0 BCABMO C[NH+](C)Cc1nc(CO)n2ccccc12 ZINC000409440267 343851335 /nfs/dbraw/zinc/85/13/35/343851335.db2.gz KHGBZAZTCGEGOQ-UHFFFAOYSA-N 1 1 205.261 0.888 40 0 BCABMO COC(=O)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000026896610 344078010 /nfs/dbraw/zinc/07/80/10/344078010.db2.gz KVPXVSDIYOYVKS-SNVBAGLBSA-N 1 1 226.320 0.623 40 0 BCABMO CN1C[C@]2(CCC[N@@H+](Cc3nccn3C)C2)C1=O ZINC000585099684 344131997 /nfs/dbraw/zinc/13/19/97/344131997.db2.gz XJMWLWNNHOWPDC-ZDUSSCGKSA-N 1 1 248.330 0.474 40 0 BCABMO COCc1nnc2n1CC[N@H+](C)[C@H](C)C2 ZINC000585098504 344132043 /nfs/dbraw/zinc/13/20/43/344132043.db2.gz UJQIIRQLNMVECJ-MRVPVSSYSA-N 1 1 210.281 0.301 40 0 BCABMO C[NH+](C)CCNc1cc(N)nc(C2CC2)n1 ZINC000087908965 345939913 /nfs/dbraw/zinc/93/99/13/345939913.db2.gz BECDRKANDCXWIS-UHFFFAOYSA-N 1 1 221.308 0.910 40 0 BCABMO CNc1cc(N2CCOCC2)[nH+]c(C)n1 ZINC000087805764 345940789 /nfs/dbraw/zinc/94/07/89/345940789.db2.gz WRSSNSWQFRQGKO-UHFFFAOYSA-N 1 1 208.265 0.663 40 0 BCABMO CC[NH+](CC)CCN[C@H](C)C(=O)N1CCCC1 ZINC000019526408 347338779 /nfs/dbraw/zinc/33/87/79/347338779.db2.gz RVQWZZJOWZKKDS-GFCCVEGCSA-N 1 1 241.379 0.929 40 0 BCABMO COCC[N@@H+](CCO)C1CCOCC1 ZINC000161348095 349427142 /nfs/dbraw/zinc/42/71/42/349427142.db2.gz CTWYUMBUDVLVFS-UHFFFAOYSA-N 1 1 203.282 0.106 40 0 BCABMO Cc1nccc(C[N@@H+]2C[C@H](O)[C@]3(CCCO3)C2)n1 ZINC000257296990 180186703 /nfs/dbraw/zinc/18/67/03/180186703.db2.gz RFHLVRHNSBLMIF-STQMWFEESA-N 1 1 249.314 0.511 40 0 BCABMO Cc1nccc(C[N@H+]2C[C@H](O)[C@]3(CCCO3)C2)n1 ZINC000257296990 180186704 /nfs/dbraw/zinc/18/67/04/180186704.db2.gz RFHLVRHNSBLMIF-STQMWFEESA-N 1 1 249.314 0.511 40 0 BCABMO Cc1nn(C)cc1C(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000002767816 180366294 /nfs/dbraw/zinc/36/62/94/180366294.db2.gz GTANTPGZBJMKMF-LLVKDONJSA-N 1 1 248.330 0.649 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CC[C@H](CO)C2)C1 ZINC000409422071 350473774 /nfs/dbraw/zinc/47/37/74/350473774.db2.gz AFQDMHBTDBHETB-WDEREUQCSA-N 1 1 226.320 0.169 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](CCC(C)C)CC[C@H]1O ZINC000409422623 350474712 /nfs/dbraw/zinc/47/47/12/350474712.db2.gz ITROJPKQKNFTBV-GHMZBOCLSA-N 1 1 229.320 0.888 40 0 BCABMO C[NH+](C)Cc1c(O)nc2ccccn2c1=O ZINC000016163164 188106924 /nfs/dbraw/zinc/10/69/24/188106924.db2.gz WGQJZGICUTYBGB-UHFFFAOYSA-N 1 1 219.244 0.462 40 0 BCABMO COCCN(CCOC)c1[nH+]cccc1N ZINC000020317291 188108856 /nfs/dbraw/zinc/10/88/56/188108856.db2.gz QQCNJHQWPYNLOK-UHFFFAOYSA-N 1 1 225.292 0.763 40 0 BCABMO NC(=O)[C@@H]([NH3+])c1cc(Br)cs1 ZINC000048701889 181265553 /nfs/dbraw/zinc/26/55/53/181265553.db2.gz MDASTVRCZHXZKE-YFKPBYRVSA-N 1 1 235.106 0.996 40 0 BCABMO Cn1cc(C[NH2+]Cc2ccnn2C)cn1 ZINC000020349843 357339744 /nfs/dbraw/zinc/33/97/44/357339744.db2.gz PVTAHDVOHFTWHG-UHFFFAOYSA-N 1 1 205.265 0.443 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](CO)C1)N1CCCCCC1 ZINC000051886600 358765733 /nfs/dbraw/zinc/76/57/33/358765733.db2.gz VXUDXTHTEYPFDY-GFCCVEGCSA-N 1 1 240.347 0.703 40 0 BCABMO Cc1ccc(C)n1Cc1nc(C[NH3+])no1 ZINC000400550718 360417367 /nfs/dbraw/zinc/41/73/67/360417367.db2.gz ITIVILLWUCMAIL-UHFFFAOYSA-N 1 1 206.249 0.995 40 0 BCABMO [NH3+]CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000079404066 181355783 /nfs/dbraw/zinc/35/57/83/181355783.db2.gz TWDBPFSITKTFCX-ZDUSSCGKSA-N 1 1 247.342 0.726 40 0 BCABMO NCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000035018166 181355849 /nfs/dbraw/zinc/35/58/49/181355849.db2.gz YPWKQQRQPOSWHR-LBPRGKRZSA-N 1 1 233.315 0.336 40 0 BCABMO NCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000035018166 181355850 /nfs/dbraw/zinc/35/58/50/181355850.db2.gz YPWKQQRQPOSWHR-LBPRGKRZSA-N 1 1 233.315 0.336 40 0 BCABMO OCC[N@H+]1CCCC[C@@H]1c1ccncn1 ZINC000072381330 183071455 /nfs/dbraw/zinc/07/14/55/183071455.db2.gz QMCBQERVKPDBMA-LLVKDONJSA-N 1 1 207.277 0.996 40 0 BCABMO O[C@H]1CC[N@H+](C2CCOCC2)C[C@@]12CCCO2 ZINC000257303349 183237738 /nfs/dbraw/zinc/23/77/38/183237738.db2.gz SGVLXBCGEZPSNF-STQMWFEESA-N 1 1 241.331 0.781 40 0 BCABMO CCCN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000019412896 169200951 /nfs/dbraw/zinc/20/09/51/169200951.db2.gz PCWWYQWRAWULDM-GFCCVEGCSA-N 1 1 239.363 0.540 40 0 BCABMO c1cc(CO[C@H]2C[C@H]3CNCC[N@@H+]3C2)ccn1 ZINC000096511355 183354840 /nfs/dbraw/zinc/35/48/40/183354840.db2.gz DGCUTGNDLDPWSR-STQMWFEESA-N 1 1 233.315 0.644 40 0 BCABMO c1cc(CO[C@H]2C[C@H]3CNCC[N@H+]3C2)ccn1 ZINC000096511355 183354842 /nfs/dbraw/zinc/35/48/42/183354842.db2.gz DGCUTGNDLDPWSR-STQMWFEESA-N 1 1 233.315 0.644 40 0 BCABMO CC(C)N(C[C@H]1CCC[N@@H+]1C)C(=O)CN ZINC000079406941 384136581 /nfs/dbraw/zinc/13/65/81/384136581.db2.gz SIGDXOSYLQFYOU-SNVBAGLBSA-N 1 1 213.325 0.276 40 0 BCABMO CC(C)N(C[C@H]1CCC[N@H+]1C)C(=O)CN ZINC000079406941 384136584 /nfs/dbraw/zinc/13/65/84/384136584.db2.gz SIGDXOSYLQFYOU-SNVBAGLBSA-N 1 1 213.325 0.276 40 0 BCABMO CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](CCO)C1 ZINC000079407793 384138146 /nfs/dbraw/zinc/13/81/46/384138146.db2.gz DOMSTDORSJARAX-SECBINFHSA-N 1 1 230.308 0.578 40 0 BCABMO CC(=O)N1CC[C@H](C[N@H+](CCN)C(C)C)C1 ZINC000079405644 384137802 /nfs/dbraw/zinc/13/78/02/384137802.db2.gz VFINTLZZRBLPNM-GFCCVEGCSA-N 1 1 227.352 0.524 40 0 BCABMO CC(=O)N1CC[C@H](CN(CC[NH3+])C(C)C)C1 ZINC000079405644 384137811 /nfs/dbraw/zinc/13/78/11/384137811.db2.gz VFINTLZZRBLPNM-GFCCVEGCSA-N 1 1 227.352 0.524 40 0 BCABMO CCOC(=O)[C@@H](CN)C(C)(C)[NH+]1CCCC1 ZINC000072210408 384154388 /nfs/dbraw/zinc/15/43/88/384154388.db2.gz DSUZCXGFKNMLBK-SNVBAGLBSA-N 1 1 228.336 0.999 40 0 BCABMO CC[C@@](C)([C@@H](CN)CO)[NH+]1CCCC1 ZINC000072210366 384154523 /nfs/dbraw/zinc/15/45/23/384154523.db2.gz SZJRGUUIIMJKGW-QWRGUYRKSA-N 1 1 200.326 0.818 40 0 BCABMO CC(=O)N(C(C)C)[C@@H]1CC[N@@H+](CCO)C1 ZINC000079416484 384139261 /nfs/dbraw/zinc/13/92/61/384139261.db2.gz KFWPLYOPZVHTDR-LLVKDONJSA-N 1 1 214.309 0.310 40 0 BCABMO C[N@@H+](C[C@@H]1CCCN(CCO)C1)C1CC1 ZINC000079418925 384144292 /nfs/dbraw/zinc/14/42/92/384144292.db2.gz BEYWAUHRADTXNR-NSHDSACASA-N 1 1 212.337 0.785 40 0 BCABMO C[N@@H+](C[C@@H]1CCCCN1CCO)C1CC1 ZINC000079418918 384144319 /nfs/dbraw/zinc/14/43/19/384144319.db2.gz ARPSGAJTMJQWRE-LBPRGKRZSA-N 1 1 212.337 0.927 40 0 BCABMO CN(C[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000079418918 384144321 /nfs/dbraw/zinc/14/43/21/384144321.db2.gz ARPSGAJTMJQWRE-LBPRGKRZSA-N 1 1 212.337 0.927 40 0 BCABMO CN(C[C@@H]1CCCC[N@H+]1CCO)C1CC1 ZINC000079418918 384144323 /nfs/dbraw/zinc/14/43/23/384144323.db2.gz ARPSGAJTMJQWRE-LBPRGKRZSA-N 1 1 212.337 0.927 40 0 BCABMO Cc1cncc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072356889 384209567 /nfs/dbraw/zinc/20/95/67/384209567.db2.gz ACAKCJQKDYCKRX-LLVKDONJSA-N 1 1 207.277 0.914 40 0 BCABMO CN(C)c1nccnc1[C@@H]1CCC[N@H+]1CCO ZINC000072381352 384217752 /nfs/dbraw/zinc/21/77/52/384217752.db2.gz DEDHLZBCGQZOPV-JTQLQIEISA-N 1 1 236.319 0.672 40 0 BCABMO CC(C)[N@H+](CC(=O)[O-])C1CC[NH+](C)CC1 ZINC000083318578 384287721 /nfs/dbraw/zinc/28/77/21/384287721.db2.gz MTOVULXQSQPCBX-UHFFFAOYSA-N 1 1 214.309 0.876 40 0 BCABMO CC(C)[N@@H+](CC(=O)[O-])C1CC[NH+](C)CC1 ZINC000083318578 384287733 /nfs/dbraw/zinc/28/77/33/384287733.db2.gz MTOVULXQSQPCBX-UHFFFAOYSA-N 1 1 214.309 0.876 40 0 BCABMO CC[N@H+](CC(=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000083318733 384289231 /nfs/dbraw/zinc/28/92/31/384289231.db2.gz IDSIUHIXURORSG-SNVBAGLBSA-N 1 1 214.309 0.735 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000083318733 384289241 /nfs/dbraw/zinc/28/92/41/384289241.db2.gz IDSIUHIXURORSG-SNVBAGLBSA-N 1 1 214.309 0.735 40 0 BCABMO CC[NH+](CC(=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000083318733 384289252 /nfs/dbraw/zinc/28/92/52/384289252.db2.gz IDSIUHIXURORSG-SNVBAGLBSA-N 1 1 214.309 0.735 40 0 BCABMO O=C(C[N@H+]1CC[C@H](O)C1)NC1CCCCC1 ZINC000061709095 384396885 /nfs/dbraw/zinc/39/68/85/384396885.db2.gz FDGYODDXPIBZPN-NSHDSACASA-N 1 1 226.320 0.502 40 0 BCABMO O=C(C[N@@H+]1CC[C@H](O)C1)NC1CCCCC1 ZINC000061709095 384396889 /nfs/dbraw/zinc/39/68/89/384396889.db2.gz FDGYODDXPIBZPN-NSHDSACASA-N 1 1 226.320 0.502 40 0 BCABMO CC1CC[NH+](C[C@@H]2OC[C@H](N(C)C)[C@H]2O)CC1 ZINC000514289410 384404412 /nfs/dbraw/zinc/40/44/12/384404412.db2.gz SGIWQAVXSDRLTN-RWMBFGLXSA-N 1 1 242.363 0.408 40 0 biogenic,in-vitro BCABMO Nc1c(Br)c[nH+]cc1CO ZINC000095929786 384410205 /nfs/dbraw/zinc/41/02/05/384410205.db2.gz XJZSDOAVPLXAMX-UHFFFAOYSA-N 1 1 203.039 0.919 40 0 BCABMO Cn1ccnc1C[N@H+]1CCC[C@@]2(CCNC2=O)C1 ZINC000096073915 384431113 /nfs/dbraw/zinc/43/11/13/384431113.db2.gz QDDSYKZMMMYYJN-CYBMUJFWSA-N 1 1 248.330 0.522 40 0 BCABMO CC[N@@H+](CCN)C1CCC(NC(C)=O)CC1 ZINC000079422723 384495759 /nfs/dbraw/zinc/49/57/59/384495759.db2.gz QJRZGGLOIWZAMR-UHFFFAOYSA-N 1 1 227.352 0.714 40 0 BCABMO CCN(CC[NH3+])C1CCC(NC(C)=O)CC1 ZINC000079422723 384495766 /nfs/dbraw/zinc/49/57/66/384495766.db2.gz QJRZGGLOIWZAMR-UHFFFAOYSA-N 1 1 227.352 0.714 40 0 BCABMO [NH3+]CCc1nc(CNc2ccccc2)n[nH]1 ZINC000072236543 384840877 /nfs/dbraw/zinc/84/08/77/384840877.db2.gz RIIAYDYZMZAXQA-UHFFFAOYSA-N 1 1 217.276 0.918 40 0 BCABMO CC[C@](C)([C@@H](CN)CO)[NH+]1CCCC1 ZINC000072210367 385068707 /nfs/dbraw/zinc/06/87/07/385068707.db2.gz SZJRGUUIIMJKGW-WDEREUQCSA-N 1 1 200.326 0.818 40 0 BCABMO CC(=O)[C@H](C[NH+]1CCOCC1)C(C)(C)O ZINC000031947016 385114979 /nfs/dbraw/zinc/11/49/79/385114979.db2.gz OKACYUVIGLMUKQ-JTQLQIEISA-N 1 1 215.293 0.295 40 0 BCABMO COc1ccc([C@H]2[C@H]([NH3+])C(=O)N2C)cc1 ZINC000072228251 385129242 /nfs/dbraw/zinc/12/92/42/385129242.db2.gz BHDWLHBPHVMIAX-UWVGGRQHSA-N 1 1 206.245 0.536 40 0 BCABMO c1ccc(CO[C@@H]2C[C@H]3CNCC[N@@H+]3C2)nc1 ZINC000096511346 385253594 /nfs/dbraw/zinc/25/35/94/385253594.db2.gz YXALGSVNSOJVBJ-QWHCGFSZSA-N 1 1 233.315 0.644 40 0 BCABMO c1ccc(CO[C@@H]2C[C@H]3CNCC[N@H+]3C2)nc1 ZINC000096511346 385253599 /nfs/dbraw/zinc/25/35/99/385253599.db2.gz YXALGSVNSOJVBJ-QWHCGFSZSA-N 1 1 233.315 0.644 40 0 BCABMO CCCCNC(=O)C[NH+]1CCC(O)CC1 ZINC000042367083 385306795 /nfs/dbraw/zinc/30/67/95/385306795.db2.gz WMCWFKXGDQCBMV-UHFFFAOYSA-N 1 1 214.309 0.359 40 0 BCABMO Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](O)C1 ZINC000127977934 385317484 /nfs/dbraw/zinc/31/74/84/385317484.db2.gz OXZRTDZFPXKNBV-JTQLQIEISA-N 1 1 209.293 0.983 40 0 BCABMO O=C(C[N@H+]1CC[C@@H](CO)C1)NCc1ccco1 ZINC000051887869 385318287 /nfs/dbraw/zinc/31/82/87/385318287.db2.gz RRISHSLZVKUUFN-SNVBAGLBSA-N 1 1 238.287 0.210 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](CO)C1)NCc1ccco1 ZINC000051887869 385318293 /nfs/dbraw/zinc/31/82/93/385318293.db2.gz RRISHSLZVKUUFN-SNVBAGLBSA-N 1 1 238.287 0.210 40 0 BCABMO CCCn1nccc1-c1noc(C[NH3+])n1 ZINC000096524397 385273547 /nfs/dbraw/zinc/27/35/47/385273547.db2.gz OKNTUHODXMOVSR-UHFFFAOYSA-N 1 1 207.237 0.802 40 0 BCABMO OCc1cn(C[C@H]2CC[N@@H+](CCF)C2)nn1 ZINC000409424612 385333473 /nfs/dbraw/zinc/33/34/73/385333473.db2.gz HGETYRBYNLONTJ-VIFPVBQESA-N 1 1 228.271 0.062 40 0 BCABMO COC(=O)[C@@H]([NH3+])[C@H](C)Sc1nccn1C ZINC000169726756 385419157 /nfs/dbraw/zinc/41/91/57/385419157.db2.gz VXAUTJVHKJCFFV-BQBZGAKWSA-N 1 1 229.305 0.401 40 0 BCABMO O=C([C@@H]1CCCC[N@H+]1C[C@@H]1CO1)N1CCCC1 ZINC000095097822 385454585 /nfs/dbraw/zinc/45/45/85/385454585.db2.gz GYYUVPZHYSIIAV-NEPJUHHUSA-N 1 1 238.331 0.862 40 0 BCABMO CN1C(=O)CC[C@@H]2[N@@H+](CCO)CC[C@@]21C ZINC000257229753 385754942 /nfs/dbraw/zinc/75/49/42/385754942.db2.gz FZJLIPOOPXCKOD-ONGXEEELSA-N 1 1 212.293 0.064 40 0 BCABMO CC(C)[N@@H+]1CCC[C@]1(C(N)=O)c1cnccn1 ZINC000257333579 385764152 /nfs/dbraw/zinc/76/41/52/385764152.db2.gz YCDVTQZGZBCJNT-GFCCVEGCSA-N 1 1 234.303 0.661 40 0 BCABMO CC(C)[N@H+]1CCC[C@]1(C(N)=O)c1cnccn1 ZINC000257333579 385764155 /nfs/dbraw/zinc/76/41/55/385764155.db2.gz YCDVTQZGZBCJNT-GFCCVEGCSA-N 1 1 234.303 0.661 40 0 BCABMO C[C@](N)(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000262858222 385898564 /nfs/dbraw/zinc/89/85/64/385898564.db2.gz KWHTYQAVFBSINF-GXTWGEPZSA-N 1 1 247.342 0.714 40 0 BCABMO Cc1noc(-c2cn3c(n2)C[NH2+]CC3)n1 ZINC000328579717 386529056 /nfs/dbraw/zinc/52/90/56/386529056.db2.gz XZQCTWHKYSDRIX-UHFFFAOYSA-N 1 1 205.221 0.345 40 0 BCABMO CC(C)(C)OC(=O)[C@H](N)C1CC(C[NH3+])C1 ZINC000575624466 386546096 /nfs/dbraw/zinc/54/60/96/386546096.db2.gz DNCNWRJXCUAEIO-AMDVSUOASA-N 1 1 214.309 0.640 40 0 BCABMO NC[C@@H](c1ccc(N)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247643648 386729561 /nfs/dbraw/zinc/72/95/61/386729561.db2.gz JBCILYOMXFLHPE-PWSUYJOCSA-N 1 1 249.314 0.675 40 0 BCABMO Cn1nccc1CNCC[NH+]1CCCCC1 ZINC000049574844 386794085 /nfs/dbraw/zinc/79/40/85/386794085.db2.gz RIFYCUDJYQNNBR-UHFFFAOYSA-N 1 1 222.336 0.996 40 0 BCABMO COC(=O)[C@H]([NH3+])Cn1cc(Cl)cn1 ZINC000045436772 386774876 /nfs/dbraw/zinc/77/48/76/386774876.db2.gz FARZUHFTCDEAOG-ZCFIWIBFSA-N 1 1 203.629 0.037 40 0 BCABMO CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1C[C@H](O)C1 ZINC000575419618 387026859 /nfs/dbraw/zinc/02/68/59/387026859.db2.gz CDMWSIUZIIAWBF-BWZBUEFSSA-N 1 1 201.266 0.426 40 0 BCABMO CC1CCN(C(=O)C[N@H+]2CC[C@H](O)C2)CC1 ZINC000061707727 387843765 /nfs/dbraw/zinc/84/37/65/387843765.db2.gz WHUCNOYQADPYQA-NSHDSACASA-N 1 1 226.320 0.312 40 0 BCABMO CON(C)C(=O)[C@@H]1C[N@@H+](C)CC2(CCCC2)O1 ZINC000242614925 387843999 /nfs/dbraw/zinc/84/39/99/387843999.db2.gz PMLKXVAWTPBMLT-JTQLQIEISA-N 1 1 242.319 0.650 40 0 BCABMO CON(C)C(=O)[C@H]1C[N@@H+](C)CC2(CCCC2)O1 ZINC000242614927 387844060 /nfs/dbraw/zinc/84/40/60/387844060.db2.gz PMLKXVAWTPBMLT-SNVBAGLBSA-N 1 1 242.319 0.650 40 0 BCABMO CCCn1nccc1CNCC[NH+](C)C ZINC000164824379 387853035 /nfs/dbraw/zinc/85/30/35/387853035.db2.gz XOPPMBUFGSHAAA-UHFFFAOYSA-N 1 1 210.325 0.944 40 0 BCABMO C[NH+](C)CCNCc1ccnn1C(F)F ZINC000256054738 387862382 /nfs/dbraw/zinc/86/23/82/387862382.db2.gz XONXTIAVRCYFQU-UHFFFAOYSA-N 1 1 218.251 0.929 40 0 BCABMO CN1CC[C@H]([NH3+])[C@@H](Cc2ccccn2)C1 ZINC000242547661 388399593 /nfs/dbraw/zinc/39/95/93/388399593.db2.gz KQJHUDOKQYCDRG-JQWIXIFHSA-N 1 1 205.305 0.903 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccc(N)c1 ZINC000242718265 388400943 /nfs/dbraw/zinc/40/09/43/388400943.db2.gz XHOWJGGBNYPPDR-RYUDHWBXSA-N 1 1 233.315 0.660 40 0 BCABMO Cn1nnc2c1[C@@H](COCC1CC1)C[NH2+]C2 ZINC000096198599 388616282 /nfs/dbraw/zinc/61/62/82/388616282.db2.gz XVJSMQAGYMPOHE-SECBINFHSA-N 1 1 222.292 0.429 40 0 BCABMO Cn1nnc2c1[C@H](COCC1CC1)C[NH2+]C2 ZINC000096198600 388616402 /nfs/dbraw/zinc/61/64/02/388616402.db2.gz XVJSMQAGYMPOHE-VIFPVBQESA-N 1 1 222.292 0.429 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1cccnc1 ZINC000252517082 388653952 /nfs/dbraw/zinc/65/39/52/388653952.db2.gz ZJAMBIPSBQWOSV-WDEREUQCSA-N 1 1 220.272 0.900 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](C)C[C@H]1c1cccnc1 ZINC000252517081 388654321 /nfs/dbraw/zinc/65/43/21/388654321.db2.gz ZJAMBIPSBQWOSV-QWRGUYRKSA-N 1 1 220.272 0.900 40 0 BCABMO CC(C)CN1CCN(C(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000062115226 166968736 /nfs/dbraw/zinc/96/87/36/166968736.db2.gz WQSMZLVPECFIOL-GFCCVEGCSA-N 1 1 239.363 0.396 40 0 BCABMO CC(C)N1C(=O)CO[C@H]2C[N@@H+](C(C)C)C[C@H]21 ZINC000067897202 167031829 /nfs/dbraw/zinc/03/18/29/167031829.db2.gz PXFBBACRARGBDY-MNOVXSKESA-N 1 1 226.320 0.715 40 0 biogenic,in-vitro BCABMO CCOC(=O)C1=C(N)S[C@@H]2C[N@@H+](C)CC[C@H]12 ZINC000027529763 170191263 /nfs/dbraw/zinc/19/12/63/170191263.db2.gz CLLWUMJBSCNBOM-JGVFFNPUSA-N 1 1 242.344 0.787 40 0 BCABMO CCOC(=O)[C@@]1([NH3+])CC[C@H](S(=O)(=O)CC)C1 ZINC000217946666 170263483 /nfs/dbraw/zinc/26/34/83/170263483.db2.gz VPCNWNDEEMUHBV-WCBMZHEXSA-N 1 1 249.332 0.234 40 0 BCABMO CCOC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000033793271 170263880 /nfs/dbraw/zinc/26/38/80/170263880.db2.gz NKNSHDCCJHFHLR-SECBINFHSA-N 1 1 201.266 0.518 40 0 BCABMO CCOC(=O)[C@]12CCCN[C@H]1CC[NH2+]C2 ZINC000044138165 170286782 /nfs/dbraw/zinc/28/67/82/170286782.db2.gz UTPBCDAWLFRZHF-ONGXEEELSA-N 1 1 212.293 0.281 40 0 BCABMO Cc1cc(NCC[NH3+])nc(NC2CCCC2)n1 ZINC000409430983 411646740 /nfs/dbraw/zinc/64/67/40/411646740.db2.gz XXCXKNLACSBRNY-UHFFFAOYSA-N 1 1 235.335 1.510 40 0 BCABMO CC[C@H](C)[C@H]([NH3+])CN1CCN(CC)CC1 ZINC000019852491 171396576 /nfs/dbraw/zinc/39/65/76/171396576.db2.gz ACCFMNPKQCCVEF-NWDGAFQWSA-N 1 1 213.369 0.997 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@@H]1CCC[N@@H+]21 ZINC000242554643 487625155 /nfs/dbraw/zinc/62/51/55/487625155.db2.gz MQZINACZCKFGSR-YTWAJWBKSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)C(=O)[C@@H]1CCC[N@H+]21 ZINC000242554643 487625161 /nfs/dbraw/zinc/62/51/61/487625161.db2.gz MQZINACZCKFGSR-YTWAJWBKSA-N 1 1 237.299 0.991 40 0 BCABMO C[N@@H+]([C@@H]1CCS(=O)(=O)C1)[Si](C)(C)C ZINC000195819867 172944780 /nfs/dbraw/zinc/94/47/80/172944780.db2.gz QBSDUQNPRYMKRR-MRVPVSSYSA-N 1 1 221.398 0.940 40 0 BCABMO CN1CCCC[C@H]1C[N@H+](CCO)C1CC1 ZINC000079406126 173007488 /nfs/dbraw/zinc/00/74/88/173007488.db2.gz QFTNTAZVTSIJPJ-LBPRGKRZSA-N 1 1 212.337 0.927 40 0 BCABMO CN1CCCC[C@H]1C[N@@H+](CCO)C1CC1 ZINC000079406126 173007489 /nfs/dbraw/zinc/00/74/89/173007489.db2.gz QFTNTAZVTSIJPJ-LBPRGKRZSA-N 1 1 212.337 0.927 40 0 BCABMO C[N@H+]1CCCC[C@H]1CN(CCO)C1CC1 ZINC000079406126 173007485 /nfs/dbraw/zinc/00/74/85/173007485.db2.gz QFTNTAZVTSIJPJ-LBPRGKRZSA-N 1 1 212.337 0.927 40 0 BCABMO Cn1cc(N2CC[C@@]3(CCC[N@@H+](C)C3)C2=O)cn1 ZINC000096224609 173039945 /nfs/dbraw/zinc/03/99/45/173039945.db2.gz VJMLHNKFULANBL-CYBMUJFWSA-N 1 1 248.330 0.869 40 0 BCABMO C[NH+]1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 ZINC000031689393 173068636 /nfs/dbraw/zinc/06/86/36/173068636.db2.gz XIVAMOAGOYPBOS-LBPRGKRZSA-N 1 1 234.299 0.494 40 0 BCABMO CN1CCN(C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000062570175 173077039 /nfs/dbraw/zinc/07/70/39/173077039.db2.gz OKOYEHLBYYBZKI-FOSCPWQOSA-N 1 1 209.337 0.517 40 0 BCABMO CN1CCN(Cc2ccc(C(=[NH2+])NO)cc2)CC1 ZINC000019470798 173086444 /nfs/dbraw/zinc/08/64/44/173086444.db2.gz ZDMKZXIPKUOWBJ-UHFFFAOYSA-N 1 1 248.330 0.738 40 0 BCABMO C[N@@H+]1CCO[C@@](C)(C(=O)NCc2ccccn2)C1 ZINC000072379354 173106037 /nfs/dbraw/zinc/10/60/37/173106037.db2.gz XHLUFUMSOHMRGE-CYBMUJFWSA-N 1 1 249.314 0.419 40 0 BCABMO C[N@H+]1CCO[C@@](C)(C(=O)NCc2ccccn2)C1 ZINC000072379354 173106039 /nfs/dbraw/zinc/10/60/39/173106039.db2.gz XHLUFUMSOHMRGE-CYBMUJFWSA-N 1 1 249.314 0.419 40 0 BCABMO CN1c2cccnc2C[N@H+](C)CC[C@H]1CO ZINC000225496098 173118089 /nfs/dbraw/zinc/11/80/89/173118089.db2.gz FYYNAUUIYKBGFN-JTQLQIEISA-N 1 1 221.304 0.714 40 0 biogenic,in-vitro BCABMO CN1CC[C@@H]([NH3+])[C@H](Cc2cccnc2)C1 ZINC000082379346 173119284 /nfs/dbraw/zinc/11/92/84/173119284.db2.gz JVZFEGVETJRMMF-VXGBXAGGSA-N 1 1 205.305 0.903 40 0 BCABMO C[N@H+]1CC[C@](O)(c2ccccc2)[C@H](O)C1 ZINC000005496262 173164850 /nfs/dbraw/zinc/16/48/50/173164850.db2.gz HAATVDDNXGDFHD-NEPJUHHUSA-N 1 1 207.273 0.571 40 0 BCABMO C[N@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCO3)C2)C1 ZINC000247721660 173165109 /nfs/dbraw/zinc/16/51/09/173165109.db2.gz BHDHXAFKJSXGOP-YPMHNXCESA-N 1 1 238.331 0.720 40 0 BCABMO C[N@H+]1CCc2nc(-c3cccnc3)[nH]c(=O)c2C1 ZINC000139229398 173168551 /nfs/dbraw/zinc/16/85/51/173168551.db2.gz BKVSTICHODDBQW-UHFFFAOYSA-N 1 1 242.282 0.820 40 0 BCABMO CN1C[C@@H](Cc2ccccc2)[NH2+]CC1=O ZINC000035270174 173182590 /nfs/dbraw/zinc/18/25/90/173182590.db2.gz AKDJPULYWQWHOS-LLVKDONJSA-N 1 1 204.273 0.659 40 0 BCABMO C[N@H+]1C[C@@H](O)[C@H](Oc2cccc(F)c2)C1 ZINC000257282354 173189140 /nfs/dbraw/zinc/18/91/40/173189140.db2.gz OTKLDVIXGCFUBL-GHMZBOCLSA-N 1 1 211.236 0.879 40 0 BCABMO C[N@H+]1C[C@H]2C[C@H](C(=O)NC3CCC3)[C@@H](C1)O2 ZINC000096253125 173199724 /nfs/dbraw/zinc/19/97/24/173199724.db2.gz MSOQCBSJSPZYOH-OUAUKWLOSA-N 1 1 224.304 0.374 40 0 BCABMO CNC(=O)C[N@@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000257341334 173274492 /nfs/dbraw/zinc/27/44/92/173274492.db2.gz ZJXKTCNAIJEQST-NSHDSACASA-N 1 1 248.330 0.629 40 0 BCABMO CNC(=O)C[N@H+]1CC[C@H](c2nc(C)cc(C)n2)C1 ZINC000257341334 173274493 /nfs/dbraw/zinc/27/44/93/173274493.db2.gz ZJXKTCNAIJEQST-NSHDSACASA-N 1 1 248.330 0.629 40 0 BCABMO COCC(=O)N1CC[C@H]2[C@H]1CC[N@H+]2CC(C)C ZINC000096055789 174044133 /nfs/dbraw/zinc/04/41/33/174044133.db2.gz GFRRRCZVEBNDIQ-NWDGAFQWSA-N 1 1 240.347 0.964 40 0 BCABMO CO[C@@H]1CCCOC12CC[NH+](CC(N)=O)CC2 ZINC000257314949 174747656 /nfs/dbraw/zinc/74/76/56/174747656.db2.gz UZGHQKGJRGVUIA-SNVBAGLBSA-N 1 1 242.319 0.132 40 0 BCABMO COc1cccc([C@@H]([NH3+])C(N)=O)c1OC ZINC000037870621 175289242 /nfs/dbraw/zinc/28/92/42/175289242.db2.gz UHUQTTPHYYZRMH-MRVPVSSYSA-N 1 1 210.233 0.189 40 0 BCABMO COc1cccc([C@H]([NH3+])C(N)=O)c1OC ZINC000037870620 175294147 /nfs/dbraw/zinc/29/41/47/175294147.db2.gz UHUQTTPHYYZRMH-QMMMGPOBSA-N 1 1 210.233 0.189 40 0 BCABMO C[C@@H](c1cnccn1)[N@@H+](CCO)C1CC1 ZINC000079422319 176035092 /nfs/dbraw/zinc/03/50/92/176035092.db2.gz UTFVSBCUOCNZIJ-VIFPVBQESA-N 1 1 207.277 0.994 40 0 BCABMO C[C@H]1C[N@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419827 177252958 /nfs/dbraw/zinc/25/29/58/177252958.db2.gz VBEKMNXJHBOWCT-JTQLQIEISA-N 1 1 244.335 0.920 40 0 BCABMO C[C@H]1C[N@@H+](CCO)CCN1C(=O)OC(C)(C)C ZINC000079419827 177252960 /nfs/dbraw/zinc/25/29/60/177252960.db2.gz VBEKMNXJHBOWCT-JTQLQIEISA-N 1 1 244.335 0.920 40 0 BCABMO CC[N@@H+](CCO)[C@H]1CCCC[C@H]1NC(C)=O ZINC000248241114 521124385 /nfs/dbraw/zinc/12/43/85/521124385.db2.gz HCOCTCQWVBEJKU-NEPJUHHUSA-N 1 1 228.336 0.748 40 0 BCABMO CC[N@@H+](CCN)[C@H]1CC[C@H](NC(C)=O)CC1 ZINC000248260562 521046093 /nfs/dbraw/zinc/04/60/93/521046093.db2.gz QJRZGGLOIWZAMR-HAQNSBGRSA-N 1 1 227.352 0.714 40 0 BCABMO CCN(CC[NH3+])[C@H]1CC[C@H](NC(C)=O)CC1 ZINC000248260562 521046099 /nfs/dbraw/zinc/04/60/99/521046099.db2.gz QJRZGGLOIWZAMR-HAQNSBGRSA-N 1 1 227.352 0.714 40 0 BCABMO CCn1nccc1C[NH2+]Cc1cnn(C)c1 ZINC000020349844 523728955 /nfs/dbraw/zinc/72/89/55/523728955.db2.gz ISMOVGIRPRSGRJ-UHFFFAOYSA-N 1 1 219.292 0.926 40 0 BCABMO C[N@H+]1CCC[C@@H](C(=O)N2CCC[C@H](CO)C2)C1 ZINC000096629176 349444196 /nfs/dbraw/zinc/44/41/96/349444196.db2.gz HTCWKALJANRKCG-NWDGAFQWSA-N 1 1 240.347 0.559 40 0 BCABMO Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1N ZINC000020194722 178392592 /nfs/dbraw/zinc/39/25/92/178392592.db2.gz TZLMFGUGMMAAIB-UHFFFAOYSA-N 1 1 233.315 0.965 40 0 BCABMO CCC(CC)[N@H+]1CCN(C)C[C@@H](C(N)=O)C1 ZINC000257248784 168376060 /nfs/dbraw/zinc/37/60/60/168376060.db2.gz JFELCIQDRCWSCY-SNVBAGLBSA-N 1 1 227.352 0.524 40 0 BCABMO CCOC(=O)[C@H](N)[C@@H](C(C)C)[NH+]1CCOCC1 ZINC000072210531 259316755 /nfs/dbraw/zinc/31/67/55/259316755.db2.gz PMYBFVWNHFTXAD-GHMZBOCLSA-N 1 1 244.335 0.234 40 0 BCABMO COC(=O)c1cnc(N2CC[NH+](C)CC2)c(C)c1 ZINC000072222551 259320951 /nfs/dbraw/zinc/32/09/51/259320951.db2.gz IAEHWIXQWVVMAX-UHFFFAOYSA-N 1 1 249.314 0.928 40 0 BCABMO Cc1cc(N2CCN(C)CC2)ncc1C[NH3+] ZINC000072223597 259321466 /nfs/dbraw/zinc/32/14/66/259321466.db2.gz SWSGBRZNUNNVMV-UHFFFAOYSA-N 1 1 220.320 0.601 40 0 BCABMO COC(=O)c1cnc(N2CC[NH+](C)CC2)cc1C ZINC000072223593 259321614 /nfs/dbraw/zinc/32/16/14/259321614.db2.gz XRMNHOGTTAQXAO-UHFFFAOYSA-N 1 1 249.314 0.928 40 0 BCABMO CN1C(=O)[C@H]([NH3+])[C@@H]1c1ccc2c(c1)OCO2 ZINC000072228273 259322877 /nfs/dbraw/zinc/32/28/77/259322877.db2.gz KURBLQACPIAHPA-ZJUUUORDSA-N 1 1 220.228 0.256 40 0 BCABMO NS(=O)(=O)c1ccc2c(c1)C[NH2+][C@@H](CF)C2 ZINC000013517589 342867215 /nfs/dbraw/zinc/86/72/15/342867215.db2.gz JRESBJUYAQJNMA-SECBINFHSA-N 1 1 244.291 0.318 40 0 BCABMO Cc1nc(O)c(C[NH+]2CCCCC2)c(=O)[nH]1 ZINC000016363284 342909978 /nfs/dbraw/zinc/90/99/78/342909978.db2.gz PYBCHEZACIISTH-UHFFFAOYSA-N 1 1 223.276 0.770 40 0 BCABMO COC(=O)[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1O ZINC000260858472 343131607 /nfs/dbraw/zinc/13/16/07/343131607.db2.gz WYULCMDCPPGORM-HBNTYKKESA-N 1 1 243.303 0.021 40 0 BCABMO CCSC1=[NH+][C@H]2CS(=O)(=O)C[C@H]2N1C ZINC000032508592 343236448 /nfs/dbraw/zinc/23/64/48/343236448.db2.gz BMIBVIWVEFPTHR-NKWVEPMBSA-N 1 1 234.346 0.207 40 0 BCABMO C[NH2+][C@@H](CN)c1ccc(OC)c(OC)c1 ZINC000050269856 259369971 /nfs/dbraw/zinc/36/99/71/259369971.db2.gz MPHMEMJPCGSJKD-VIFPVBQESA-N 1 1 210.277 0.923 40 0 BCABMO CO[C@H]1C[NH2+][C@@H](c2nc3nccnc3c(=O)[nH]2)C1 ZINC000253536059 349852932 /nfs/dbraw/zinc/85/29/32/349852932.db2.gz FZPFWDQDIAOQCB-RNFRBKRXSA-N 1 1 247.258 0.175 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@H]1c1ccccc1OC ZINC000096526100 343760069 /nfs/dbraw/zinc/76/00/69/343760069.db2.gz YAEOYMFZXMWRBA-WDEREUQCSA-N 1 1 220.272 0.926 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CCC[C@H](CO)C1 ZINC000047916256 343782009 /nfs/dbraw/zinc/78/20/09/343782009.db2.gz IUKZTYAGGXYDIJ-LBPRGKRZSA-N 1 1 242.363 0.853 40 0 BCABMO C[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000048581011 343782049 /nfs/dbraw/zinc/78/20/49/343782049.db2.gz DIDROFKUGWAWMA-RYUDHWBXSA-N 1 1 240.347 0.844 40 0 BCABMO Nc1cc(N2CCC(O)CC2)[nH+]c(C2CC2)n1 ZINC000126874677 343786841 /nfs/dbraw/zinc/78/68/41/343786841.db2.gz DLILQLORBKLYGK-UHFFFAOYSA-N 1 1 234.303 0.897 40 0 BCABMO CC(=O)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000200724178 343791861 /nfs/dbraw/zinc/79/18/61/343791861.db2.gz DRTLSCYLPPGVPH-NSHDSACASA-N 1 1 212.293 0.064 40 0 BCABMO CC(C)C[N@H+]1CCC[C@@H]1Cn1cc(CO)nn1 ZINC000409427048 343800012 /nfs/dbraw/zinc/80/00/12/343800012.db2.gz UBSDAKBVDNOBMO-GFCCVEGCSA-N 1 1 238.335 0.891 40 0 BCABMO OCc1cn(C[C@H]2CCC[N@H+]2CC2CC2)nn1 ZINC000409427045 343800216 /nfs/dbraw/zinc/80/02/16/343800216.db2.gz UBQYDFUBLVSMNK-GFCCVEGCSA-N 1 1 236.319 0.645 40 0 BCABMO CC[N@H+]1CCC[C@H](Cn2cc(C=O)nn2)C1 ZINC000409427748 343801560 /nfs/dbraw/zinc/80/15/60/343801560.db2.gz XPLVGKPQMULJQF-JTQLQIEISA-N 1 1 222.292 0.823 40 0 BCABMO COCCn1cccc1-c1noc(C[NH3+])n1 ZINC000409422276 343813195 /nfs/dbraw/zinc/81/31/95/343813195.db2.gz DMQGMHDVSXSURR-UHFFFAOYSA-N 1 1 222.248 0.643 40 0 BCABMO CCCn1cc(-c2noc(C[NH3+])n2)cn1 ZINC000409422313 343813352 /nfs/dbraw/zinc/81/33/52/343813352.db2.gz CJCXMXNFBMHYLN-UHFFFAOYSA-N 1 1 207.237 0.802 40 0 BCABMO CCC[N@H+]1CCC[C@@H]1Cn1cc(C=O)nn1 ZINC000409423242 343814764 /nfs/dbraw/zinc/81/47/64/343814764.db2.gz AYRFXTRIJLWJMR-LLVKDONJSA-N 1 1 222.292 0.965 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CC2CC2)CC[C@@H]1O ZINC000409423753 343815915 /nfs/dbraw/zinc/81/59/15/343815915.db2.gz USQIXVGBMPVIKR-UWVGGRQHSA-N 1 1 213.277 0.252 40 0 BCABMO C[C@H](O)[C@H]1CCC[N@H+](C2CC[NH2+]CC2)C1 ZINC000409425150 343818158 /nfs/dbraw/zinc/81/81/58/343818158.db2.gz FFFIXTAJALOUFL-QWRGUYRKSA-N 1 1 212.337 0.831 40 0 BCABMO Cn1ccc(C2CCN(CCC[NH3+])CC2)n1 ZINC000409425633 343819956 /nfs/dbraw/zinc/81/99/56/343819956.db2.gz GHLWOJPAOLQYGT-UHFFFAOYSA-N 1 1 222.336 0.948 40 0 BCABMO CC(C)CC[NH+]1CC(n2cc(C=O)nn2)C1 ZINC000409425912 343820759 /nfs/dbraw/zinc/82/07/59/343820759.db2.gz NZXCBRPGPOAFAC-UHFFFAOYSA-N 1 1 222.292 0.993 40 0 BCABMO CCC[N@H+]1CCC[C@@H](Cn2cc(CO)nn2)C1 ZINC000409425910 343820911 /nfs/dbraw/zinc/82/09/11/343820911.db2.gz NZHVLQWRAVWMTJ-LLVKDONJSA-N 1 1 238.335 0.892 40 0 BCABMO CCC[N@H+]1CCC[C@H](Cn2cc(CO)nn2)C1 ZINC000409425911 343821001 /nfs/dbraw/zinc/82/10/01/343821001.db2.gz NZHVLQWRAVWMTJ-NSHDSACASA-N 1 1 238.335 0.892 40 0 BCABMO CO[C@@H]1CN(CCC[NH3+])C[C@@H]1n1cccn1 ZINC000409434325 343831470 /nfs/dbraw/zinc/83/14/70/343831470.db2.gz OPLZGDDRRLENTQ-WDEREUQCSA-N 1 1 224.308 0.104 40 0 BCABMO Cn1cnc2c1C[C@H](CNc1ncccn1)[NH2+]C2 ZINC000585094631 344129504 /nfs/dbraw/zinc/12/95/04/344129504.db2.gz GIRORMUHXFPITP-SECBINFHSA-N 1 1 244.302 0.337 40 0 BCABMO COCc1nnc2n1CC[N@H+](C)[C@@H](C)C2 ZINC000585098506 344131946 /nfs/dbraw/zinc/13/19/46/344131946.db2.gz UJQIIRQLNMVECJ-QMMMGPOBSA-N 1 1 210.281 0.301 40 0 BCABMO O=C(CO)OC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000247751756 344323807 /nfs/dbraw/zinc/32/38/07/344323807.db2.gz WIHLNPZFQPHKLF-GHMZBOCLSA-N 1 1 227.304 0.786 40 0 BCABMO COC(=O)[C@H]1CC[C@@H]2[C@@H](C1)[C@H](O)[C@H]1CCC[N@@H+]12 ZINC000085398566 344527954 /nfs/dbraw/zinc/52/79/54/344527954.db2.gz GRLNGRUGXJVCJH-KQSJRHEJSA-N 1 1 239.315 0.783 40 0 BCABMO Nc1ncc(C[NH2+]Cc2ccco2)cn1 ZINC000062717389 259406517 /nfs/dbraw/zinc/40/65/17/259406517.db2.gz ZKOMGVZVFGNLMJ-UHFFFAOYSA-N 1 1 204.233 0.942 40 0 BCABMO C[N@H+]1CC[C@H](O)[C@@H](Cc2ccccn2)C1 ZINC000169975251 490260857 /nfs/dbraw/zinc/26/08/57/490260857.db2.gz OGGWQOJFGKKYML-JQWIXIFHSA-N 1 1 206.289 0.937 40 0 BCABMO Cc1nc([C@@H]2CCC[N@H+](C)C2)ncc1C(N)=O ZINC000072351996 180042618 /nfs/dbraw/zinc/04/26/18/180042618.db2.gz MNNINYGNBHNKQQ-SECBINFHSA-N 1 1 234.303 0.693 40 0 BCABMO Cc1nn(C)c(F)c1C[NH2+]CCN(C)C ZINC000256051401 180350343 /nfs/dbraw/zinc/35/03/43/180350343.db2.gz JAMPPWVIHCMCLV-UHFFFAOYSA-N 1 1 214.288 0.519 40 0 BCABMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](O)C1 ZINC000299613124 180337527 /nfs/dbraw/zinc/33/75/27/180337527.db2.gz VGRLLPXILNRIMD-NSHDSACASA-N 1 1 223.320 0.994 40 0 BCABMO C[C@H](O)[C@H]1CCCC[N@H+]1C1CC[NH2+]CC1 ZINC000409430558 350476392 /nfs/dbraw/zinc/47/63/92/350476392.db2.gz QRNKRPGQSFSCAZ-CMPLNLGQSA-N 1 1 212.337 0.974 40 0 BCABMO CC(C)(C)OC(=O)[C@@H](N)[C@H]1C[C@H]([NH3+])C1 ZINC000602985743 351866231 /nfs/dbraw/zinc/86/62/31/351866231.db2.gz OGHGAJBVNRZRIL-FXQIFTODSA-N 1 1 200.282 0.393 40 0 BCABMO CC(=O)N1CC[N@H+](CCO)C[C@H]1c1ccccc1 ZINC000072366573 188131744 /nfs/dbraw/zinc/13/17/44/188131744.db2.gz FOAZHVQTKOMAGF-AWEZNQCLSA-N 1 1 248.326 0.884 40 0 BCABMO CC(=O)N1CC[N@@H+](CCO)C[C@H]1c1ccccc1 ZINC000072366573 188131746 /nfs/dbraw/zinc/13/17/46/188131746.db2.gz FOAZHVQTKOMAGF-AWEZNQCLSA-N 1 1 248.326 0.884 40 0 BCABMO COCCN(CCOC)c1ccc(N)c[nH+]1 ZINC000019621279 188461348 /nfs/dbraw/zinc/46/13/48/188461348.db2.gz JKFXJFVFRGSAHO-UHFFFAOYSA-N 1 1 225.292 0.763 40 0 BCABMO NC1=[NH+]NC2=C(c3cccc(Cl)c3)NNN12 ZINC000000038203 181339414 /nfs/dbraw/zinc/33/94/14/181339414.db2.gz MALNXGNLNLIYIH-UHFFFAOYSA-N 1 1 236.666 0.124 40 0 BCABMO [NH3+]C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000070451522 181343956 /nfs/dbraw/zinc/34/39/56/181343956.db2.gz JDVAONGGEMPSQL-UHFFFAOYSA-N 1 1 234.303 0.850 40 0 BCABMO C[C@]1(c2cc[nH]n2)CCC[N@@H+](CCO)C1 ZINC000205701831 368359410 /nfs/dbraw/zinc/35/94/10/368359410.db2.gz PZEYXRPYSFHTNH-NSHDSACASA-N 1 1 209.293 0.756 40 0 BCABMO CN1CC[C@@H]([NH3+])[C@H](Cc2ccccn2)C1 ZINC000074188492 369867902 /nfs/dbraw/zinc/86/79/02/369867902.db2.gz KQJHUDOKQYCDRG-ZYHUDNBSSA-N 1 1 205.305 0.903 40 0 BCABMO CCOC(=O)[C@H]1[NH2+][C@H](C)[C@@H]([C@@H](C)O)[C@@H]1C ZINC000216352383 371748170 /nfs/dbraw/zinc/74/81/70/371748170.db2.gz DCBCKPVQVGMBSL-MBXMOIHESA-N 1 1 215.293 0.543 40 0 BCABMO OCC[N@H+]1CCCC[C@H]1c1ccncn1 ZINC000072381329 183071958 /nfs/dbraw/zinc/07/19/58/183071958.db2.gz QMCBQERVKPDBMA-NSHDSACASA-N 1 1 207.277 0.996 40 0 BCABMO OCC[N@@H+]1CCCC[C@H]1c1cc(CO)n[nH]1 ZINC000072356862 183072116 /nfs/dbraw/zinc/07/21/16/183072116.db2.gz MKSQCQSQIRDXMJ-NSHDSACASA-N 1 1 225.292 0.421 40 0 BCABMO OCC[N@H+]1CCCC[C@H]1c1cc(CO)n[nH]1 ZINC000072356862 183072117 /nfs/dbraw/zinc/07/21/17/183072117.db2.gz MKSQCQSQIRDXMJ-NSHDSACASA-N 1 1 225.292 0.421 40 0 BCABMO OC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1O ZINC000035855131 183154777 /nfs/dbraw/zinc/15/47/77/183154777.db2.gz XQYUBSUGHRDQSN-NEPJUHHUSA-N 1 1 207.273 0.472 40 0 BCABMO CCN(CC)CC[NH2+]Cc1ccnn1C ZINC000036901116 383916893 /nfs/dbraw/zinc/91/68/93/383916893.db2.gz YYMJTZNGACMTPB-UHFFFAOYSA-N 1 1 210.325 0.852 40 0 BCABMO CNc1nc(C)cc(N2CC[NH2+]CC2)n1 ZINC000008731116 383929481 /nfs/dbraw/zinc/92/94/81/383929481.db2.gz ZIHATJWATHFWFO-UHFFFAOYSA-N 1 1 207.281 0.236 40 0 BCABMO CC(C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822469 383965422 /nfs/dbraw/zinc/96/54/22/383965422.db2.gz AWLKTGXMEDABLA-MNOVXSKESA-N 1 1 227.352 0.380 40 0 BCABMO CC(C)[N@@H+](CCO)C1CCN(C)CC1 ZINC000079406044 384135385 /nfs/dbraw/zinc/13/53/85/384135385.db2.gz MXPDZVIWYDOATO-UHFFFAOYSA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)[N@@H+](CCO)C[C@@H]1CCCN1C ZINC000079406018 384136012 /nfs/dbraw/zinc/13/60/12/384136012.db2.gz FPNFDPOLJJMCHI-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(CCO)C[C@@H]1CCC[N@@H+]1C ZINC000079406018 384136017 /nfs/dbraw/zinc/13/60/17/384136017.db2.gz FPNFDPOLJJMCHI-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO CC(C)N(CCO)C[C@@H]1CCC[N@H+]1C ZINC000079406018 384136018 /nfs/dbraw/zinc/13/60/18/384136018.db2.gz FPNFDPOLJJMCHI-NSHDSACASA-N 1 1 200.326 0.783 40 0 BCABMO CN1CCC[C@@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079423123 384146612 /nfs/dbraw/zinc/14/66/12/384146612.db2.gz WCDYQQFVBHDSCG-LLVKDONJSA-N 1 1 212.337 0.785 40 0 BCABMO CC(=O)N(C)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000079416390 384140411 /nfs/dbraw/zinc/14/04/11/384140411.db2.gz LEEHIHWNHMUPOB-LLVKDONJSA-N 1 1 214.309 0.169 40 0 BCABMO C[NH+]1CCN(c2cc[nH+]cc2C(=O)[O-])CC1 ZINC000088109623 384141428 /nfs/dbraw/zinc/14/14/28/384141428.db2.gz KVIVVIAWDJSBHT-UHFFFAOYSA-N 1 1 221.260 0.532 40 0 BCABMO CC(C)[N@@H+](C)C1CCN(CCO)CC1 ZINC000079418492 384145028 /nfs/dbraw/zinc/14/50/28/384145028.db2.gz UWDGJWVTAZMOIS-UHFFFAOYSA-N 1 1 200.326 0.783 40 0 BCABMO Cc1cc(C)n(C2CC[NH+](CC(N)=O)CC2)n1 ZINC000072350992 384209676 /nfs/dbraw/zinc/20/96/76/384209676.db2.gz ZEOLDRAQLFYSKT-UHFFFAOYSA-N 1 1 236.319 0.622 40 0 BCABMO Cn1cc(C[N@H+]2CCC[C@@](C)(C(N)=O)C2)cn1 ZINC000072378228 384217450 /nfs/dbraw/zinc/21/74/50/384217450.db2.gz PNTMBCBWVPFTPN-GFCCVEGCSA-N 1 1 236.319 0.508 40 0 BCABMO C[N@@H+]1CCC[C@@H](C[NH+](CC(=O)[O-])C2CC2)C1 ZINC000083318623 384290448 /nfs/dbraw/zinc/29/04/48/384290448.db2.gz OFFJJKTZDONHKX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO C[N@H+]1CCC[C@@H](C[NH+](CC(=O)[O-])C2CC2)C1 ZINC000083318623 384290453 /nfs/dbraw/zinc/29/04/53/384290453.db2.gz OFFJJKTZDONHKX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO C[NH+]1CCC[C@@H](C[N@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318623 384290457 /nfs/dbraw/zinc/29/04/57/384290457.db2.gz OFFJJKTZDONHKX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO C[NH+]1CCC[C@@H](C[N@@H+](CC(=O)[O-])C2CC2)C1 ZINC000083318623 384290462 /nfs/dbraw/zinc/29/04/62/384290462.db2.gz OFFJJKTZDONHKX-SNVBAGLBSA-N 1 1 226.320 0.877 40 0 BCABMO O=C1[C@H]2C[N@@H+](CCO)C[C@H]2CN1c1ccccc1 ZINC000096245379 384446085 /nfs/dbraw/zinc/44/60/85/384446085.db2.gz MFSSSEAVZNDALJ-AAEUAGOBSA-N 1 1 246.310 0.574 40 0 BCABMO CN1C(=O)C[C@@H]2[C@H]1CC[N@@H+]2Cc1nccs1 ZINC000096246010 384447506 /nfs/dbraw/zinc/44/75/06/384447506.db2.gz PVJXXKKCPHJZKD-RKDXNWHRSA-N 1 1 237.328 0.948 40 0 BCABMO CN1C(=O)C[C@@H]2[C@H]1CC[N@H+]2Cc1nccs1 ZINC000096246010 384447511 /nfs/dbraw/zinc/44/75/11/384447511.db2.gz PVJXXKKCPHJZKD-RKDXNWHRSA-N 1 1 237.328 0.948 40 0 BCABMO C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000242728113 384562279 /nfs/dbraw/zinc/56/22/79/384562279.db2.gz YTNRKKINRUNGCM-MGCOHNPYSA-N 1 1 214.309 0.876 40 0 BCABMO CC(C)c1nc2c(c(=O)[nH]1)C[N@@H+](C)CC2 ZINC000139228733 384607836 /nfs/dbraw/zinc/60/78/36/384607836.db2.gz WDBIXCITNJQSOX-UHFFFAOYSA-N 1 1 207.277 0.881 40 0 BCABMO CNC(=O)c1conc1[C@H]1CCCC[NH2+]1 ZINC000072208435 385061729 /nfs/dbraw/zinc/06/17/29/385061729.db2.gz LDUJFEICIWULNC-MRVPVSSYSA-N 1 1 209.249 0.849 40 0 BCABMO CC[C@](C)([C@H](CN)CO)[NH+]1CCCC1 ZINC000072210369 385068495 /nfs/dbraw/zinc/06/84/95/385068495.db2.gz SZJRGUUIIMJKGW-GHMZBOCLSA-N 1 1 200.326 0.818 40 0 BCABMO [NH3+]C[C@H](CO)C1(N2CCOCC2)CCCCC1 ZINC000072210381 385068970 /nfs/dbraw/zinc/06/89/70/385068970.db2.gz MTVARHKADDGMTF-GFCCVEGCSA-N 1 1 242.363 0.589 40 0 BCABMO CC(C)n1nnnc1CN1CC[NH+](C)CC1 ZINC000019454685 385229078 /nfs/dbraw/zinc/22/90/78/385229078.db2.gz HVDPYPBQKNDCCB-UHFFFAOYSA-N 1 1 224.312 0.001 40 0 BCABMO CC(C)(C)OC(=O)N1CC[N@H+]2C[C@@H](O)C[C@@H]2C1 ZINC000206888140 385321262 /nfs/dbraw/zinc/32/12/62/385321262.db2.gz SZLUJRHLIZAWGS-ZJUUUORDSA-N 1 1 242.319 0.672 40 0 BCABMO COC(=O)[C@H]([NH3+])[C@H](C)Sc1nccn1C ZINC000169726758 385418350 /nfs/dbraw/zinc/41/83/50/385418350.db2.gz VXAUTJVHKJCFFV-NKWVEPMBSA-N 1 1 229.305 0.401 40 0 BCABMO CN1C(=O)NC(=O)C(=C2CC[NH2+]CC2)C1=O ZINC000095098270 385490179 /nfs/dbraw/zinc/49/01/79/385490179.db2.gz WNKATTLEQMVUDM-UHFFFAOYSA-N 1 1 223.232 0.215 40 0 BCABMO C[C@@H]1CCC[N@@H+](C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950365 385591689 /nfs/dbraw/zinc/59/16/89/385591689.db2.gz ZZJQCKLQXIFZES-ZYHUDNBSSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@@H]1CCCN(C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950365 385591693 /nfs/dbraw/zinc/59/16/93/385591693.db2.gz ZZJQCKLQXIFZES-ZYHUDNBSSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@@H]1CCC[N@H+](C[C@H](O)CNC2CC2)C1 ZINC000036950365 385591698 /nfs/dbraw/zinc/59/16/98/385591698.db2.gz ZZJQCKLQXIFZES-ZYHUDNBSSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@@H]1CCC[N@@H+](C[C@H](O)CNC2CC2)C1 ZINC000036950365 385591700 /nfs/dbraw/zinc/59/17/00/385591700.db2.gz ZZJQCKLQXIFZES-ZYHUDNBSSA-N 1 1 212.337 0.831 40 0 BCABMO CC1CCN(C[C@H](O)C[NH2+]C2CC2)CC1 ZINC000036950324 385592302 /nfs/dbraw/zinc/59/23/02/385592302.db2.gz BHSQSJCFPHBYNB-GFCCVEGCSA-N 1 1 212.337 0.831 40 0 BCABMO C[N@H+](CC(=O)[O-])CC1CC[NH+](C)CC1 ZINC000063121046 385592606 /nfs/dbraw/zinc/59/26/06/385592606.db2.gz SFSZEPVAPTTWSX-UHFFFAOYSA-N 1 1 200.282 0.345 40 0 BCABMO NC[C@H](c1ccc(N)cc1)[N@H+]1CC[C@@H](C(=O)[O-])C1 ZINC000247643652 386730354 /nfs/dbraw/zinc/73/03/54/386730354.db2.gz JBCILYOMXFLHPE-ZYHUDNBSSA-N 1 1 249.314 0.675 40 0 BCABMO O=C1CCC[C@]2(CNCC[N@H+](CC3CC3)C2)N1 ZINC000096238341 387024993 /nfs/dbraw/zinc/02/49/93/387024993.db2.gz IEDRWUBZGWCTCY-CYBMUJFWSA-N 1 1 237.347 0.341 40 0 BCABMO O=C1CCC[C@]2(CNCC[N@@H+](CC3CC3)C2)N1 ZINC000096238341 387024994 /nfs/dbraw/zinc/02/49/94/387024994.db2.gz IEDRWUBZGWCTCY-CYBMUJFWSA-N 1 1 237.347 0.341 40 0 BCABMO C[N@@H+]1CCN2C(=O)N(c3ccccn3)C[C@H]2C1 ZINC000085436157 387454079 /nfs/dbraw/zinc/45/40/79/387454079.db2.gz SYLRPWSYTHOSEI-SNVBAGLBSA-N 1 1 232.287 0.638 40 0 biogenic,in-vitro BCABMO C[N@H+]1CCN2C(=O)N(c3ccccn3)C[C@H]2C1 ZINC000085436157 387454083 /nfs/dbraw/zinc/45/40/83/387454083.db2.gz SYLRPWSYTHOSEI-SNVBAGLBSA-N 1 1 232.287 0.638 40 0 biogenic,in-vitro BCABMO c1ccc(C[C@@H]2COC3(COC3)[NH2+]2)cc1 ZINC000238048549 387856800 /nfs/dbraw/zinc/85/68/00/387856800.db2.gz ULISANSRFYERCR-LLVKDONJSA-N 1 1 205.257 0.944 40 0 BCABMO [NH3+][C@H]1CCN(C(=O)c2[nH]nc3ccccc32)C1 ZINC000050228818 387926651 /nfs/dbraw/zinc/92/66/51/387926651.db2.gz SYSFPFIDYKKQNP-QMMMGPOBSA-N 1 1 230.271 0.736 40 0 BCABMO CN1C(=O)CO[C@H]2C[N@@H+](Cc3ccncc3)C[C@H]21 ZINC000067897256 388408545 /nfs/dbraw/zinc/40/85/45/388408545.db2.gz BDUDPUPCEZEDTG-NEPJUHHUSA-N 1 1 247.298 0.123 40 0 biogenic,in-vitro BCABMO CN1C(=O)CO[C@H]2C[N@H+](Cc3ccncc3)C[C@H]21 ZINC000067897256 388408548 /nfs/dbraw/zinc/40/85/48/388408548.db2.gz BDUDPUPCEZEDTG-NEPJUHHUSA-N 1 1 247.298 0.123 40 0 biogenic,in-vitro BCABMO CNc1cc(C)nc(N2CC[NH+](C)CC2)n1 ZINC000050848600 132359423 /nfs/dbraw/zinc/35/94/23/132359423.db2.gz ITTQVZXMHCLXEC-UHFFFAOYSA-N 1 1 221.308 0.579 40 0 BCABMO CC1CCN(C(=O)C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000061707728 168172207 /nfs/dbraw/zinc/17/22/07/168172207.db2.gz WHUCNOYQADPYQA-LLVKDONJSA-N 1 1 226.320 0.312 40 0 BCABMO CCN1CCN(C[C@H]([NH3+])CCSC)CC1 ZINC000096523853 169993435 /nfs/dbraw/zinc/99/34/35/169993435.db2.gz IRXYRJDFAWHKHL-LLVKDONJSA-N 1 1 231.409 0.704 40 0 BCABMO CCOC(=O)[C@H]([NH3+])CSCSC ZINC000031949373 170275105 /nfs/dbraw/zinc/27/51/05/170275105.db2.gz RTAKRSNDYUMTIF-ZCFIWIBFSA-N 1 1 209.336 0.931 40 0 BCABMO CC[C@H](C)[C@@H]([NH3+])CN1CCN(CC)CC1 ZINC000020073837 171372567 /nfs/dbraw/zinc/37/25/67/171372567.db2.gz ACCFMNPKQCCVEF-RYUDHWBXSA-N 1 1 213.369 0.997 40 0 BCABMO CN1CCC[C@H](C[N@@H+](CCO)C2CC2)C1 ZINC000079423116 173042050 /nfs/dbraw/zinc/04/20/50/173042050.db2.gz WCDYQQFVBHDSCG-NSHDSACASA-N 1 1 212.337 0.785 40 0 BCABMO CN1CC[N@H+](C2CCCCC2)C[C@H](C(N)=O)C1 ZINC000257275085 173075710 /nfs/dbraw/zinc/07/57/10/173075710.db2.gz NNVUHMLZOAWCHH-LLVKDONJSA-N 1 1 239.363 0.668 40 0 BCABMO C[NH+]1CCN(C[C@H](O)COC2CCCC2)CC1 ZINC000022917957 173085860 /nfs/dbraw/zinc/08/58/60/173085860.db2.gz RNBYIGKRDGOGHG-LBPRGKRZSA-N 1 1 242.363 0.554 40 0 BCABMO C[N@H+]1CC[C@@H]2[C@@H]1CCN2C(=O)c1cnccn1 ZINC000096184227 173135220 /nfs/dbraw/zinc/13/52/20/173135220.db2.gz KREXOWWBOVVWSM-WDEREUQCSA-N 1 1 232.287 0.395 40 0 BCABMO C[N@H+]1CC[C@@H]2[C@H]1CCN2C(=O)Cc1ccccn1 ZINC000096184234 173135952 /nfs/dbraw/zinc/13/59/52/173135952.db2.gz ZAJRZGQTONVSQU-CHWSQXEVSA-N 1 1 245.326 0.929 40 0 BCABMO Cn1cncc1-c1nnc([C@H]2CC[N@@H+](C)C2)o1 ZINC000049170460 173158846 /nfs/dbraw/zinc/15/88/46/173158846.db2.gz BFPURLSTLJZCIS-QMMMGPOBSA-N 1 1 233.275 0.889 40 0 biogenic,in-vitro BCABMO C[N@H+]1CC[C@@H]2[C@H](CNc3ncccn3)OC[C@@H]2C1 ZINC000096187355 173162085 /nfs/dbraw/zinc/16/20/85/173162085.db2.gz JHZDIEJSTQOKLO-SRVKXCTJSA-N 1 1 248.330 0.855 40 0 BCABMO C[N@@H+]1C[C@@H](c2cccc(N)c2)[C@H](C(N)=O)C1 ZINC000217663205 173181727 /nfs/dbraw/zinc/18/17/27/173181727.db2.gz YYQJHLUTPAHBPX-WDEREUQCSA-N 1 1 219.288 0.399 40 0 BCABMO C[N@H+]1C[C@@H]2COC[C@]2(CC(=O)N2CCCO2)C1 ZINC000096209519 173190816 /nfs/dbraw/zinc/19/08/16/173190816.db2.gz CGDGPHVFTOIEHM-PWSUYJOCSA-N 1 1 240.303 0.119 40 0 BCABMO C[N@H+]1C[C@@H]2c3ccccc3N[C@@H]2[C@@H](O)C1 ZINC000226327424 173195995 /nfs/dbraw/zinc/19/59/95/173195995.db2.gz LZVSIYWYYWXNDN-USWWRNFRSA-N 1 1 204.273 0.871 40 0 BCABMO CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1c1cccc(N)c1 ZINC000217663429 173308009 /nfs/dbraw/zinc/30/80/09/173308009.db2.gz XHOWJGGBNYPPDR-NEPJUHHUSA-N 1 1 233.315 0.660 40 0 BCABMO [NH3+]CC(=O)c1cc2ccccc2[n+]([O-])c1 ZINC000035939860 487675478 /nfs/dbraw/zinc/67/54/78/487675478.db2.gz OYGIFRIQRYNUFN-UHFFFAOYSA-N 1 1 202.213 0.615 40 0 BCABMO COc1ccc(N2C(=N)NC(=[NH2+])NC2(C)C)cc1 ZINC000001842830 536666200 /nfs/dbraw/zinc/66/62/00/536666200.db2.gz KLCSZLKQTXQCTD-UHFFFAOYSA-N 1 1 247.302 0.881 40 0 BCABMO COc1ccc(N2C(=[NH2+])NC(=N)NC2(C)C)cc1 ZINC000001842830 536666205 /nfs/dbraw/zinc/66/62/05/536666205.db2.gz KLCSZLKQTXQCTD-UHFFFAOYSA-N 1 1 247.302 0.881 40 0 BCABMO COC(=O)[C@@]1(O)C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000003901845 342739297 /nfs/dbraw/zinc/73/92/97/342739297.db2.gz FVNFPDGQPQTTTR-KHQFGBGNSA-N 1 1 201.266 0.251 40 0 BCABMO C[NH+](C)[C@H]1[C@@H]2[C@@H](CS2(=O)=O)C1(C)C ZINC000004973139 342755362 /nfs/dbraw/zinc/75/53/62/342755362.db2.gz VHRSZSAZGRYGHC-CSMHCCOUSA-N 1 1 203.307 0.370 40 0 BCABMO C[NH2+]Cc1ccc(N2CCN(C)CC2)nc1C ZINC000072224659 259321875 /nfs/dbraw/zinc/32/18/75/259321875.db2.gz XPQBMQJHTWGPRT-UHFFFAOYSA-N 1 1 234.347 0.861 40 0 BCABMO CC(C)N(CCO)CC[N@@H+](CCO)C(C)C ZINC000019365087 342946840 /nfs/dbraw/zinc/94/68/40/342946840.db2.gz QHURQHXIFXSXKU-UHFFFAOYSA-N 1 1 232.368 0.392 40 0 BCABMO CCCCC[N@@H+](C)C12CN3CN(CN(C3)C1)C2 ZINC000019319040 342945388 /nfs/dbraw/zinc/94/53/88/342945388.db2.gz IICUVYCGIGZGBO-UHFFFAOYSA-N 1 1 238.379 0.667 40 0 BCABMO CCCC[N@@H+](C)C12CN3CN(CN(C3)C1)C2 ZINC000019319030 342945591 /nfs/dbraw/zinc/94/55/91/342945591.db2.gz ICDKARPLHDZECC-UHFFFAOYSA-N 1 1 224.352 0.276 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CC(C)C)CC[C@H]1O ZINC000259667102 343137831 /nfs/dbraw/zinc/13/78/31/343137831.db2.gz ALKTVBNPPKMOSL-VHSXEESVSA-N 1 1 215.293 0.498 40 0 BCABMO [NH3+][C@H]1CS[C@H](CCCCC(=O)[O-])[C@@H]1[NH3+] ZINC000032560782 343237842 /nfs/dbraw/zinc/23/78/42/343237842.db2.gz JKNCSZDPWAVQAI-LKEWCRSYSA-N 1 1 218.322 0.401 40 0 BCABMO COC(=O)[C@@H]([NH3+])Cc1ccc(OCCO)cc1 ZINC000041041608 343413627 /nfs/dbraw/zinc/41/36/27/343413627.db2.gz NJRQWAULJRSGEN-NSHDSACASA-N 1 1 239.271 0.101 40 0 BCABMO CCN1C(=O)[C@H]([NH3+])[C@H]1c1ccc(OC)cc1 ZINC000096525965 343759448 /nfs/dbraw/zinc/75/94/48/343759448.db2.gz BZKNPULKHGDIRV-GHMZBOCLSA-N 1 1 220.272 0.926 40 0 BCABMO CC(C)CCNC(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000042975617 343780418 /nfs/dbraw/zinc/78/04/18/343780418.db2.gz XKNLZKYQLVMQAZ-LLVKDONJSA-N 1 1 228.336 0.605 40 0 BCABMO CC(C)CCNC(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000042975617 343780419 /nfs/dbraw/zinc/78/04/19/343780419.db2.gz XKNLZKYQLVMQAZ-LLVKDONJSA-N 1 1 228.336 0.605 40 0 BCABMO O=C([O-])C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000107214422 343785636 /nfs/dbraw/zinc/78/56/36/343785636.db2.gz UJHKODAFGCFRJE-UHFFFAOYSA-N 1 1 212.293 0.631 40 0 BCABMO Nc1cc(N2CCC[C@H](O)C2)[nH+]c(C2CC2)n1 ZINC000126981991 343787524 /nfs/dbraw/zinc/78/75/24/343787524.db2.gz RTGGTKMMFFDFSX-VIFPVBQESA-N 1 1 234.303 0.897 40 0 BCABMO CC(=O)N1CCC([N@H+]2CC[C@H](CO)C2)CC1 ZINC000309297429 343790827 /nfs/dbraw/zinc/79/08/27/343790827.db2.gz LHZJJTFXNDUOLP-NSHDSACASA-N 1 1 226.320 0.312 40 0 BCABMO CO[C@@H]1CN(c2[nH+]cccc2N)C[C@@H]1OC ZINC000234766525 343795014 /nfs/dbraw/zinc/79/50/14/343795014.db2.gz DOQVBFXRCXORON-AOOOYVTPSA-N 1 1 223.276 0.514 40 0 BCABMO CO[C@H]1CN(c2[nH+]cccc2N)C[C@@H]1OC ZINC000234884903 343795083 /nfs/dbraw/zinc/79/50/83/343795083.db2.gz DOQVBFXRCXORON-UWVGGRQHSA-N 1 1 223.276 0.514 40 0 BCABMO CC[N@H+]1CC[C@@H](Cn2cc(C=O)nn2)C1 ZINC000409426877 343799385 /nfs/dbraw/zinc/79/93/85/343799385.db2.gz STVPHHRICXOKRC-SECBINFHSA-N 1 1 208.265 0.432 40 0 BCABMO O=Cc1cn([C@H]2CC[N@@H+](CC3CC3)C2)nn1 ZINC000409427262 343800573 /nfs/dbraw/zinc/80/05/73/343800573.db2.gz VMOJWDMIGHJZGS-NSHDSACASA-N 1 1 220.276 0.747 40 0 BCABMO CCC[N@H+]1CC[C@H](n2cc(CO)nn2)C1 ZINC000409427709 343801627 /nfs/dbraw/zinc/80/16/27/343801627.db2.gz XKJCBYDGAMEUDG-JTQLQIEISA-N 1 1 210.281 0.427 40 0 BCABMO OCc1cn(C[C@@H]2CCC[N@@H+](CCF)C2)nn1 ZINC000409427764 343801781 /nfs/dbraw/zinc/80/17/81/343801781.db2.gz XQELXTXZUDTTJN-SNVBAGLBSA-N 1 1 242.298 0.452 40 0 BCABMO OCc1cn([C@@H]2CC[N@H+](C3CCC3)C2)nn1 ZINC000409423360 343815238 /nfs/dbraw/zinc/81/52/38/343815238.db2.gz BLIPLTGUKAFVIJ-LLVKDONJSA-N 1 1 222.292 0.570 40 0 BCABMO C[C@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1CO ZINC000409426132 343821450 /nfs/dbraw/zinc/82/14/50/343821450.db2.gz HNYMMANAGANPPE-DTWKUNHWSA-N 1 1 207.277 0.728 40 0 BCABMO CC[N@H+]1CCCC[C@H]1Cn1cc(CO)nn1 ZINC000409426350 343822271 /nfs/dbraw/zinc/82/22/71/343822271.db2.gz QMNHEIJTBQRLOV-NSHDSACASA-N 1 1 224.308 0.645 40 0 BCABMO C[N@@H+]1C[C@H]2CN(c3cc(N)ncn3)C[C@H]2C1 ZINC000409432030 343824922 /nfs/dbraw/zinc/82/49/22/343824922.db2.gz SQSGUNWPRZUINH-DTORHVGOSA-N 1 1 219.292 0.057 40 0 BCABMO Cn1ccc([C@@H]2CCCN(CCC[NH3+])C2)n1 ZINC000409430220 343807789 /nfs/dbraw/zinc/80/77/89/343807789.db2.gz QCIXHYQSGDANLA-LLVKDONJSA-N 1 1 222.336 0.948 40 0 BCABMO CCOC[C@@H]1C[N@@H+](CCO)CC1(C)C ZINC000409430770 343809325 /nfs/dbraw/zinc/80/93/25/343809325.db2.gz IZOOCWNILIMTGF-JTQLQIEISA-N 1 1 201.310 0.973 40 0 BCABMO CCC[C@H]1CN(CCC[NH3+])CC[C@@H]1O ZINC000409435090 343836024 /nfs/dbraw/zinc/83/60/24/343836024.db2.gz SHABCNHOKJBKPS-QWRGUYRKSA-N 1 1 200.326 0.818 40 0 BCABMO CCC[C@H]1CN(CCC[NH3+])CC[C@H]1O ZINC000409435091 343836312 /nfs/dbraw/zinc/83/63/12/343836312.db2.gz SHABCNHOKJBKPS-WDEREUQCSA-N 1 1 200.326 0.818 40 0 BCABMO CCO[C@H]1CN(c2ccc(N)c[nH+]2)C[C@@H]1O ZINC000409436228 343838111 /nfs/dbraw/zinc/83/81/11/343838111.db2.gz YTRRTXFWAQGDER-UWVGGRQHSA-N 1 1 223.276 0.250 40 0 BCABMO [NH2+]=C(NO)[C@H](c1ccccn1)N1CCOCC1 ZINC000409441533 343859721 /nfs/dbraw/zinc/85/97/21/343859721.db2.gz PIPCGKRKDCPCJO-JTQLQIEISA-N 1 1 236.275 0.411 40 0 BCABMO C[NH+](C)CCNCC(=O)NCc1ccco1 ZINC000022586140 344102762 /nfs/dbraw/zinc/10/27/62/344102762.db2.gz ZVLSXSIBNUPUSW-UHFFFAOYSA-N 1 1 225.292 0.047 40 0 BCABMO CCOC[C@H]1CC[N@@H+](C)C2(CN(C(C)=O)C2)C1 ZINC000585103743 344133295 /nfs/dbraw/zinc/13/32/95/344133295.db2.gz ZRVPIVPCIWAZJR-LBPRGKRZSA-N 1 1 240.347 0.966 40 0 BCABMO CCN1CCN(C(=O)[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000082304290 344153459 /nfs/dbraw/zinc/15/34/59/344153459.db2.gz LLZYMMYCHZFZDC-GFCCVEGCSA-N 1 1 239.363 0.492 40 0 BCABMO C[C@@H]1C[C@](C(=O)[O-])([NH+](C)C)CC[N@@H+]1C ZINC000057354490 259374370 /nfs/dbraw/zinc/37/43/70/259374370.db2.gz UCUMLWQVHMBOFH-PSASIEDQSA-N 1 1 200.282 0.486 40 0 BCABMO C[C@@H]1C[C@](C(=O)[O-])([NH+](C)C)CC[N@H+]1C ZINC000057354490 259374372 /nfs/dbraw/zinc/37/43/72/259374372.db2.gz UCUMLWQVHMBOFH-PSASIEDQSA-N 1 1 200.282 0.486 40 0 BCABMO COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398561 344527740 /nfs/dbraw/zinc/52/77/40/344527740.db2.gz MQZINACZCKFGSR-CHWFTXMASA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@@H]1CC[C@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398561 344527743 /nfs/dbraw/zinc/52/77/43/344527743.db2.gz MQZINACZCKFGSR-CHWFTXMASA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@H+]12 ZINC000085398558 344527794 /nfs/dbraw/zinc/52/77/94/344527794.db2.gz MQZINACZCKFGSR-LNFKQOIKSA-N 1 1 237.299 0.991 40 0 BCABMO COC(=O)[C@H]1CC[C@@H]2[C@@H](C1)C(=O)[C@H]1CCC[N@@H+]12 ZINC000085398558 344527797 /nfs/dbraw/zinc/52/77/97/344527797.db2.gz MQZINACZCKFGSR-LNFKQOIKSA-N 1 1 237.299 0.991 40 0 BCABMO O=C([C@H]1CC[NH2+]C1)N1CCN(C2CCC2)CC1 ZINC000140586252 345696679 /nfs/dbraw/zinc/69/66/79/345696679.db2.gz SAHSDNAJOZLPGR-NSHDSACASA-N 1 1 237.347 0.293 40 0 BCABMO C[C@@H]1CN(c2cc(N)[nH+]cn2)C[C@@H](C)O1 ZINC000082426424 345909563 /nfs/dbraw/zinc/90/95/63/345909563.db2.gz NTZHFLPLSCSVIC-HTQZYQBOSA-N 1 1 208.265 0.672 40 0 BCABMO Cc1nc(N)cc(NC[C@H]2CCCO2)[nH+]1 ZINC000087808357 345941909 /nfs/dbraw/zinc/94/19/09/345941909.db2.gz VUFVGBDIDCWSOD-MRVPVSSYSA-N 1 1 208.265 0.958 40 0 BCABMO Cc1cccc(CO[C@H]2C[C@H]3CNCC[N@@H+]3C2)n1 ZINC000107359676 179103352 /nfs/dbraw/zinc/10/33/52/179103352.db2.gz PKHHPUDIVMQSLL-KBPBESRZSA-N 1 1 247.342 0.953 40 0 BCABMO Cc1cccc(CO[C@H]2C[C@H]3CNCC[N@H+]3C2)n1 ZINC000107359676 179103354 /nfs/dbraw/zinc/10/33/54/179103354.db2.gz PKHHPUDIVMQSLL-KBPBESRZSA-N 1 1 247.342 0.953 40 0 BCABMO CC(C)C[C@H]([NH3+])[C@](O)(Cc1cnc[nH]1)C(=O)[O-] ZINC000003873096 187391857 /nfs/dbraw/zinc/39/18/57/187391857.db2.gz WZFDNGAENBEYMA-GXSJLCMTSA-N 1 1 241.291 0.141 40 0 BCABMO Cc1nc([C@H]2CCC[N@H+](C)C2)ncc1C(N)=O ZINC000072351997 180056269 /nfs/dbraw/zinc/05/62/69/180056269.db2.gz MNNINYGNBHNKQQ-VIFPVBQESA-N 1 1 234.303 0.693 40 0 BCABMO Cc1nccc([C@H]2CCC[N@H+]2CCO)n1 ZINC000072381336 180208766 /nfs/dbraw/zinc/20/87/66/180208766.db2.gz BGBRCZBRRBVCHE-LLVKDONJSA-N 1 1 207.277 0.914 40 0 BCABMO NC(=O)c1cccc([C@H]2CCC[N@@H+](CCO)C2)n1 ZINC000072356859 187442260 /nfs/dbraw/zinc/44/22/60/187442260.db2.gz BPKGIIOBCUBKFP-JTQLQIEISA-N 1 1 249.314 0.352 40 0 BCABMO COC(=O)[C@H]1C[N@@H+](CCOC(C)C)CC[C@@H]1O ZINC000409422279 350474416 /nfs/dbraw/zinc/47/44/16/350474416.db2.gz DNKBNBCGOHSDBG-QWRGUYRKSA-N 1 1 245.319 0.267 40 0 BCABMO C[N@H+]1CCC[C@H](C(=O)N2CC[C@@H](CO)C2)C1 ZINC000409422069 350474434 /nfs/dbraw/zinc/47/44/34/350474434.db2.gz AFQDMHBTDBHETB-MNOVXSKESA-N 1 1 226.320 0.169 40 0 BCABMO NC(=O)C[N@H+]1CC[C@H]2C(=O)CCCC[C@@H]21 ZINC000095951331 181233586 /nfs/dbraw/zinc/23/35/86/181233586.db2.gz KTLMRGGRQUYCKQ-BDAKNGLRSA-N 1 1 210.277 0.305 40 0 BCABMO NC(=O)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000049813171 181265898 /nfs/dbraw/zinc/26/58/98/181265898.db2.gz LFSGCEMSZBMVRO-SNVBAGLBSA-N 1 1 205.261 0.704 40 0 BCABMO CC(C)CN1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000019687863 356484439 /nfs/dbraw/zinc/48/44/39/356484439.db2.gz XKKRDNRDNFQFOS-LBPRGKRZSA-N 1 1 239.363 0.539 40 0 BCABMO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)OCO2 ZINC000001701511 181282632 /nfs/dbraw/zinc/28/26/32/181282632.db2.gz WIPQZIQVKUKTSH-SNVBAGLBSA-N 1 1 248.282 0.865 40 0 in-vitro BCABMO NC(=O)[C@H]1CCC[N@H+]1Cc1ccc2c(c1)OCO2 ZINC000001701511 181282633 /nfs/dbraw/zinc/28/26/33/181282633.db2.gz WIPQZIQVKUKTSH-SNVBAGLBSA-N 1 1 248.282 0.865 40 0 in-vitro BCABMO Cc1cc(N2CC[NH2+]CC2)nc(N(C)C)n1 ZINC000084495433 359809576 /nfs/dbraw/zinc/80/95/76/359809576.db2.gz YDMGAIBUWWPBSS-UHFFFAOYSA-N 1 1 221.308 0.261 40 0 BCABMO NCC1(C[NH3+])C[C@H]1S(=O)(=O)c1ccccc1 ZINC000217976795 181359020 /nfs/dbraw/zinc/35/90/20/181359020.db2.gz XCFDOUZWKJUFBR-SNVBAGLBSA-N 1 1 240.328 0.136 40 0 BCABMO [NH3+]CC1CCN(Cc2cnccn2)CC1 ZINC000044513818 181364736 /nfs/dbraw/zinc/36/47/36/181364736.db2.gz VJMQDFCYFOHAIT-UHFFFAOYSA-N 1 1 206.293 0.647 40 0 BCABMO [NH3+]CCCN1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000011919735 181380877 /nfs/dbraw/zinc/38/08/77/181380877.db2.gz QKNHBHAWXBIPFZ-NEPJUHHUSA-N 1 1 247.342 0.616 40 0 BCABMO CNC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000048190500 368332300 /nfs/dbraw/zinc/33/23/00/368332300.db2.gz BQKNYMGMGTVQBS-UHFFFAOYSA-N 1 1 236.319 0.378 40 0 BCABMO CC(C)(C)CC[N@H+]1CCO[C@](C)(C(N)=O)C1 ZINC000205679035 368357048 /nfs/dbraw/zinc/35/70/48/368357048.db2.gz DAEXEFXVLOPUSX-LBPRGKRZSA-N 1 1 228.336 0.999 40 0 BCABMO COC(=O)[C@@H]1CC[C@@H]2[C@H](C1)[C@H](O)[C@H]1CCC[N@@H+]12 ZINC000242495880 259544576 /nfs/dbraw/zinc/54/45/76/259544576.db2.gz GRLNGRUGXJVCJH-ROHXPCBUSA-N 1 1 239.315 0.783 40 0 BCABMO CCN1CCN(C[C@@H]([NH3+])CC(C)C)CC1 ZINC000019852550 371194427 /nfs/dbraw/zinc/19/44/27/371194427.db2.gz JVDZCBVHFVLYCR-LBPRGKRZSA-N 1 1 213.369 0.997 40 0 BCABMO Nc1n[nH]c([C@H]([NH3+])c2ccc(F)cc2)n1 ZINC000095533361 181790064 /nfs/dbraw/zinc/79/00/64/181790064.db2.gz JKGYPNWFPOMWJG-SSDOTTSWSA-N 1 1 207.212 0.574 40 0 BCABMO CNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccc(N)cc1 ZINC000252516170 259548322 /nfs/dbraw/zinc/54/83/22/259548322.db2.gz QKLQLSZZCQLFTP-NWDGAFQWSA-N 1 1 233.315 0.660 40 0 BCABMO O=C(NCc1ccccc1)[C@H]1COCC[NH2+]1 ZINC000083871995 182257531 /nfs/dbraw/zinc/25/75/31/182257531.db2.gz OFNJDQKFZCYBOB-LLVKDONJSA-N 1 1 220.272 0.291 40 0 BCABMO O[C@@H]1CCC[C@H]2C[N@H+]([C@H]3CCOC3)C[C@H]21 ZINC000306138529 183198467 /nfs/dbraw/zinc/19/84/67/183198467.db2.gz RZWNLQCBKAWVHP-NNYUYHANSA-N 1 1 211.305 0.868 40 0 BCABMO O[C@H]1CC[N@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257273645 183238841 /nfs/dbraw/zinc/23/88/41/183238841.db2.gz NHNQXFGYTZHXQO-STQMWFEESA-N 1 1 249.314 0.592 40 0 BCABMO O[C@H]1CC[N@@H+](Cc2cnccn2)C[C@@]12CCCO2 ZINC000257273645 183238843 /nfs/dbraw/zinc/23/88/43/183238843.db2.gz NHNQXFGYTZHXQO-STQMWFEESA-N 1 1 249.314 0.592 40 0 BCABMO c1c(-c2ccccn2)n[nH]c1N1CC[NH2+]CC1 ZINC000062669869 183379404 /nfs/dbraw/zinc/37/94/04/183379404.db2.gz MACLUUOSEGXCIM-UHFFFAOYSA-N 1 1 229.287 0.881 40 0 BCABMO CC[N@@H+](CCO)C[C@@H]1CCCN1C(C)=O ZINC000079405330 384133390 /nfs/dbraw/zinc/13/33/90/384133390.db2.gz ODHACJVWSDKCHO-NSHDSACASA-N 1 1 214.309 0.312 40 0 BCABMO CC(=O)N1CCC(C[N@@H+](C)CCO)CC1 ZINC000079405303 384134149 /nfs/dbraw/zinc/13/41/49/384134149.db2.gz HIFINWUXIPEGPG-UHFFFAOYSA-N 1 1 214.309 0.169 40 0 BCABMO CC(C)[N@@H+](CCO)[C@@H]1CCCN(C)C1 ZINC000079406035 384135292 /nfs/dbraw/zinc/13/52/92/384135292.db2.gz OJEXMPXWAAGCRO-LLVKDONJSA-N 1 1 200.326 0.783 40 0 BCABMO CC[N@H+](CCO)C[C@H]1CCCN(C)C1 ZINC000079405975 384137467 /nfs/dbraw/zinc/13/74/67/384137467.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 1 1 200.326 0.642 40 0 BCABMO CC[N@@H+](CCO)C[C@H]1CCCN(C)C1 ZINC000079405975 384137473 /nfs/dbraw/zinc/13/74/73/384137473.db2.gz SMIDHRVTQIJRDY-NSHDSACASA-N 1 1 200.326 0.642 40 0 BCABMO CC(=O)N1CCC[C@@H]1C[N@@H+](CCO)C1CC1 ZINC000079405463 384133063 /nfs/dbraw/zinc/13/30/63/384133063.db2.gz USHOFHQECCKRLF-GFCCVEGCSA-N 1 1 226.320 0.454 40 0 BCABMO CC(C)[N@H+](C)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079419738 384141902 /nfs/dbraw/zinc/14/19/02/384141902.db2.gz CQVPNMZIJGXDSP-UHFFFAOYSA-N 1 1 214.309 0.876 40 0 BCABMO CC(C)[N@@H+](C)C1CC[NH+](CC(=O)[O-])CC1 ZINC000079419738 384141906 /nfs/dbraw/zinc/14/19/06/384141906.db2.gz CQVPNMZIJGXDSP-UHFFFAOYSA-N 1 1 214.309 0.876 40 0 BCABMO CC(C)[N@@H+](C)C[C@@H]1CCN(CCO)C1 ZINC000079418480 384145431 /nfs/dbraw/zinc/14/54/31/384145431.db2.gz QKWWEANSYDPMCM-NSHDSACASA-N 1 1 200.326 0.641 40 0 BCABMO CN(C)c1nccc([C@@H]2CCC[N@H+]2CCO)n1 ZINC000072359875 384212543 /nfs/dbraw/zinc/21/25/43/384212543.db2.gz MDEDUTZBFWQJRQ-NSHDSACASA-N 1 1 236.319 0.672 40 0 BCABMO CC[N@H+](CC(=O)[O-])C1CC[NH+](C)CC1 ZINC000083318543 384287785 /nfs/dbraw/zinc/28/77/85/384287785.db2.gz ICNTYEDAJGPAKE-UHFFFAOYSA-N 1 1 200.282 0.487 40 0 BCABMO CC[N@@H+](CC(=O)[O-])C1CC[NH+](C)CC1 ZINC000083318543 384287789 /nfs/dbraw/zinc/28/77/89/384287789.db2.gz ICNTYEDAJGPAKE-UHFFFAOYSA-N 1 1 200.282 0.487 40 0 BCABMO O=C(C[N@H+]1CC[C@@H](O)C1)NC1CCCCC1 ZINC000061709096 384398613 /nfs/dbraw/zinc/39/86/13/384398613.db2.gz FDGYODDXPIBZPN-LLVKDONJSA-N 1 1 226.320 0.502 40 0 BCABMO O=C(C[N@@H+]1CC[C@@H](O)C1)NC1CCCCC1 ZINC000061709096 384398617 /nfs/dbraw/zinc/39/86/17/384398617.db2.gz FDGYODDXPIBZPN-LLVKDONJSA-N 1 1 226.320 0.502 40 0 BCABMO Cn1ccnc1C[N@H+]1CCC[C@]2(CCNC2=O)C1 ZINC000096073914 384431483 /nfs/dbraw/zinc/43/14/83/384431483.db2.gz QDDSYKZMMMYYJN-ZDUSSCGKSA-N 1 1 248.330 0.522 40 0 BCABMO CC(=O)N1C[C@H]2C[C@@]2([NH2+]Cc2nccs2)C1 ZINC000096099917 384435571 /nfs/dbraw/zinc/43/55/71/384435571.db2.gz YJSFKEYXGGWYMD-MWLCHTKSSA-N 1 1 237.328 0.854 40 0 BCABMO Cc1noc(C)c1Cc1nc(C[NH3+])no1 ZINC000083287691 384475196 /nfs/dbraw/zinc/47/51/96/384475196.db2.gz MIQTVANLFKMYGT-UHFFFAOYSA-N 1 1 208.221 0.724 40 0 BCABMO Cc1n[nH]c(C)c1CC[NH+]1CCOCC1 ZINC000019419631 384521406 /nfs/dbraw/zinc/52/14/06/384521406.db2.gz VIKAMQNWLXTIFK-UHFFFAOYSA-N 1 1 209.293 0.901 40 0 BCABMO C[NH2+]CC(=O)N1CCN(C2CCCCC2)CC1 ZINC000083960772 384757306 /nfs/dbraw/zinc/75/73/06/384757306.db2.gz BKUDWXFQFBYCNE-UHFFFAOYSA-N 1 1 239.363 0.683 40 0 BCABMO O=CN1CC[NH+](Cc2ccccc2)CC1 ZINC000023993729 384807356 /nfs/dbraw/zinc/80/73/56/384807356.db2.gz UPRPMAXKKSSVTD-UHFFFAOYSA-N 1 1 204.273 0.961 40 0 BCABMO CCCCNC(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051887324 385034649 /nfs/dbraw/zinc/03/46/49/385034649.db2.gz BBVWPONMZZDOKN-JTQLQIEISA-N 1 1 214.309 0.217 40 0 BCABMO COc1ccc([C@@H]2[C@@H]([NH3+])C(=O)N2C)cc1 ZINC000072228252 385128709 /nfs/dbraw/zinc/12/87/09/385128709.db2.gz BHDWLHBPHVMIAX-NXEZZACHSA-N 1 1 206.245 0.536 40 0 BCABMO COc1cccc([C@H]2[C@H]([NH3+])C(=O)N2C)c1 ZINC000072228267 385128750 /nfs/dbraw/zinc/12/87/50/385128750.db2.gz SJYFTWUELWMCBE-UWVGGRQHSA-N 1 1 206.245 0.536 40 0 BCABMO c1ccc(CO[C@@H]2C[C@@H]3CNCC[N@@H+]3C2)nc1 ZINC000096511344 385253636 /nfs/dbraw/zinc/25/36/36/385253636.db2.gz YXALGSVNSOJVBJ-CHWSQXEVSA-N 1 1 233.315 0.644 40 0 BCABMO c1ccc(CO[C@@H]2C[C@@H]3CNCC[N@H+]3C2)nc1 ZINC000096511344 385253645 /nfs/dbraw/zinc/25/36/45/385253645.db2.gz YXALGSVNSOJVBJ-CHWSQXEVSA-N 1 1 233.315 0.644 40 0 BCABMO CS(=O)(=O)[C@H](CO)[C@H]([NH3+])c1cccc(F)c1 ZINC000096525092 385277771 /nfs/dbraw/zinc/27/77/71/385277771.db2.gz MXRGMZBGNJMDJR-NXEZZACHSA-N 1 1 247.291 0.231 40 0 BCABMO C([C@H]1CCCO1)N1CCOC2(CC[NH2+]CC2)C1 ZINC000096531574 385282092 /nfs/dbraw/zinc/28/20/92/385282092.db2.gz NOZCQDCYRYNLRI-GFCCVEGCSA-N 1 1 240.347 0.620 40 0 BCABMO COC(CN(C)c1cc(N)[nH+]cn1)OC ZINC000409431018 385329621 /nfs/dbraw/zinc/32/96/21/385329621.db2.gz PJSXLFMTVATRMD-UHFFFAOYSA-N 1 1 212.253 0.114 40 0 BCABMO CCCC[N@H+](C)C[C@H](O)CNC1CC1 ZINC000036950511 385591386 /nfs/dbraw/zinc/59/13/86/385591386.db2.gz AKPFGQOYJACEGZ-LLVKDONJSA-N 1 1 200.326 0.831 40 0 BCABMO CCCC[N@@H+](C)C[C@H](O)CNC1CC1 ZINC000036950511 385591387 /nfs/dbraw/zinc/59/13/87/385591387.db2.gz AKPFGQOYJACEGZ-LLVKDONJSA-N 1 1 200.326 0.831 40 0 BCABMO CCCCN(C)C[C@H](O)C[NH2+]C1CC1 ZINC000036950511 385591393 /nfs/dbraw/zinc/59/13/93/385591393.db2.gz AKPFGQOYJACEGZ-LLVKDONJSA-N 1 1 200.326 0.831 40 0 BCABMO CC1CCN(C[C@@H](O)C[NH2+]C2CC2)CC1 ZINC000036950325 385591404 /nfs/dbraw/zinc/59/14/04/385591404.db2.gz BHSQSJCFPHBYNB-LBPRGKRZSA-N 1 1 212.337 0.831 40 0 BCABMO CCCC[N@H+](C)C[C@@H](O)CNC1CC1 ZINC000036950512 385592284 /nfs/dbraw/zinc/59/22/84/385592284.db2.gz AKPFGQOYJACEGZ-NSHDSACASA-N 1 1 200.326 0.831 40 0 BCABMO CCCC[N@@H+](C)C[C@@H](O)CNC1CC1 ZINC000036950512 385592288 /nfs/dbraw/zinc/59/22/88/385592288.db2.gz AKPFGQOYJACEGZ-NSHDSACASA-N 1 1 200.326 0.831 40 0 BCABMO CCCCN(C)C[C@@H](O)C[NH2+]C1CC1 ZINC000036950512 385592290 /nfs/dbraw/zinc/59/22/90/385592290.db2.gz AKPFGQOYJACEGZ-NSHDSACASA-N 1 1 200.326 0.831 40 0 BCABMO CC[N@@H+]1CCC[C@@H]1CNCc1cnc(N)nc1 ZINC000062718383 385727459 /nfs/dbraw/zinc/72/74/59/385727459.db2.gz HYGBMHISQSDIIO-LLVKDONJSA-N 1 1 235.335 0.633 40 0 BCABMO CC[N@H+]1CCC[C@@H]1CNCc1cnc(N)nc1 ZINC000062718383 385727462 /nfs/dbraw/zinc/72/74/62/385727462.db2.gz HYGBMHISQSDIIO-LLVKDONJSA-N 1 1 235.335 0.633 40 0 BCABMO C[C@H]1CCCN(C[C@H](O)C[NH2+]C2CC2)C1 ZINC000036950366 385825576 /nfs/dbraw/zinc/82/55/76/385825576.db2.gz ZZJQCKLQXIFZES-CMPLNLGQSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@H]1CCC[N@H+](C[C@H](O)CNC2CC2)C1 ZINC000036950366 385825579 /nfs/dbraw/zinc/82/55/79/385825579.db2.gz ZZJQCKLQXIFZES-CMPLNLGQSA-N 1 1 212.337 0.831 40 0 BCABMO C[C@H]1CCC[N@@H+](C[C@H](O)CNC2CC2)C1 ZINC000036950366 385825581 /nfs/dbraw/zinc/82/55/81/385825581.db2.gz ZZJQCKLQXIFZES-CMPLNLGQSA-N 1 1 212.337 0.831 40 0 BCABMO c1nc2n(c1CN1CCCC1)CC[NH2+]CC2 ZINC000306140652 385991702 /nfs/dbraw/zinc/99/17/02/385991702.db2.gz UZQXGKNBAIGJAT-UHFFFAOYSA-N 1 1 220.320 0.625 40 0 BCABMO C[NH2+][C@H](C(N)=O)c1ccc(F)cc1F ZINC000037869911 386105692 /nfs/dbraw/zinc/10/56/92/386105692.db2.gz PXQBNBCUGKFBEM-QMMMGPOBSA-N 1 1 200.188 0.711 40 0 BCABMO CC(C)(C)OC(=O)[C@H]([NH3+])[C@H]1C[C@@H](O)C1 ZINC000575419620 387027385 /nfs/dbraw/zinc/02/73/85/387027385.db2.gz CDMWSIUZIIAWBF-GJMOJQLCSA-N 1 1 201.266 0.426 40 0 BCABMO CC(C)(C)OC(=O)[C@@H]([NH3+])[C@H]1C[C@H](O)C1 ZINC000575419619 387027530 /nfs/dbraw/zinc/02/75/30/387027530.db2.gz CDMWSIUZIIAWBF-FXQIFTODSA-N 1 1 201.266 0.426 40 0 BCABMO CS(=O)(=O)C[C@H]([NH3+])c1ccccc1F ZINC000052898376 387498633 /nfs/dbraw/zinc/49/86/33/387498633.db2.gz ZYVJPJRBSTURHP-VIFPVBQESA-N 1 1 217.265 0.870 40 0 BCABMO CC/C=C/CC[N@@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000248895259 387484662 /nfs/dbraw/zinc/48/46/62/387484662.db2.gz JLKCZFUJVHNBGG-NNOMMRTBSA-N 1 1 227.304 0.951 40 0 BCABMO CC/C=C/CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000248895259 387484666 /nfs/dbraw/zinc/48/46/66/387484666.db2.gz JLKCZFUJVHNBGG-NNOMMRTBSA-N 1 1 227.304 0.951 40 0 BCABMO COC(=O)[C@H]1CC[C@@H]2[C@@H](C1)[C@@H](O)[C@@H]1CCC[N@H+]21 ZINC000216526425 388356805 /nfs/dbraw/zinc/35/68/05/388356805.db2.gz GRLNGRUGXJVCJH-MTVMDMGHSA-N 1 1 239.315 0.783 40 0 BCABMO CN1CC[C@@H]([NH3+])[C@@H](Cc2ccncc2)C1 ZINC000242463780 388742461 /nfs/dbraw/zinc/74/24/61/388742461.db2.gz DLDOHIRLUOCARN-NWDGAFQWSA-N 1 1 205.305 0.903 40 0 BCABMO C[C@H]1C[N@H+]2C[C@H](O)C[C@@H]2CN1C[C@H]1CCOC1 ZINC000249680611 388732138 /nfs/dbraw/zinc/73/21/38/388732138.db2.gz AVBPYSFSAZVIET-UMSGYPCISA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@@H+]1C[C@H]1CCOC1 ZINC000249680611 388732140 /nfs/dbraw/zinc/73/21/40/388732140.db2.gz AVBPYSFSAZVIET-UMSGYPCISA-N 1 1 240.347 0.162 40 0 BCABMO C[C@H]1CN2C[C@H](O)C[C@@H]2C[N@H+]1C[C@H]1CCOC1 ZINC000249680611 388732143 /nfs/dbraw/zinc/73/21/43/388732143.db2.gz AVBPYSFSAZVIET-UMSGYPCISA-N 1 1 240.347 0.162 40 0 BCABMO Cc1c(C[C@H]([NH3+])C(=O)OC(C)(C)C)cnn1C ZINC000253186523 388809200 /nfs/dbraw/zinc/80/92/00/388809200.db2.gz RZXXXVMRNRKICQ-JTQLQIEISA-N 1 1 239.319 0.940 40 0 BCABMO COc1ccc([C@@H]([NH3+])c2nc(N)n[nH]2)cc1OC ZINC000095533911 388777366 /nfs/dbraw/zinc/77/73/66/388777366.db2.gz LTWIUBXEBFROES-SECBINFHSA-N 1 1 249.274 0.452 40 0 BCABMO CN1CCN(c2cc(C[NH3+])ccc2O)CC1 ZINC000089212467 132311321 /nfs/dbraw/zinc/31/13/21/132311321.db2.gz CYPZCHKPNLZHMF-UHFFFAOYSA-N 1 1 221.304 0.603 40 0 BCABMO CCN1CCN(c2cc[nH+]cc2N)CC1 ZINC000019763631 132326991 /nfs/dbraw/zinc/32/69/91/132326991.db2.gz OAGRNXJDBHSOFO-UHFFFAOYSA-N 1 1 206.293 0.806 40 0 BCABMO CSc1nc(N)cc(N2CCOCC2)[nH+]1 ZINC000034117209 132336447 /nfs/dbraw/zinc/33/64/47/132336447.db2.gz BBBKIKSBNJXVPV-UHFFFAOYSA-N 1 1 226.305 0.617 40 0 BCABMO CSc1nc(N2CCOCC2)cc(N)[nH+]1 ZINC000034117209 132336446 /nfs/dbraw/zinc/33/64/46/132336446.db2.gz BBBKIKSBNJXVPV-UHFFFAOYSA-N 1 1 226.305 0.617 40 0 BCABMO [NH3+]CCCCCN1CCN(c2ncccn2)CC1 ZINC000037039540 132343483 /nfs/dbraw/zinc/34/34/83/132343483.db2.gz BXEPDVCFYSDDEQ-UHFFFAOYSA-N 1 1 249.362 0.728 40 0 BCABMO C[C@@H]1CCCCN1C(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000225969707 134357954 /nfs/dbraw/zinc/35/79/54/134357954.db2.gz VVUJJALLIWPADH-VXGBXAGGSA-N 1 1 240.347 0.702 40 0 BCABMO CC1CCN(C(=O)C[N@H+]2CCC[C@@H](O)C2)CC1 ZINC000047915758 168172893 /nfs/dbraw/zinc/17/28/93/168172893.db2.gz ODTKKYVRQFHFTB-GFCCVEGCSA-N 1 1 240.347 0.702 40 0 BCABMO CC1CCN(C(=O)[C@@H]2COCC[NH2+]2)CC1 ZINC000083871860 168174488 /nfs/dbraw/zinc/17/44/88/168174488.db2.gz RJWMPTCGMLDMOZ-JTQLQIEISA-N 1 1 212.293 0.233 40 0 BCABMO CCN1C(=O)[C@@H]([NH3+])[C@@H]1c1cccc(OC)c1 ZINC000096526006 169947714 /nfs/dbraw/zinc/94/77/14/169947714.db2.gz OLWCOHJZPIYRCQ-QWRGUYRKSA-N 1 1 220.272 0.926 40 0 BCABMO CC[N@H+]1C[C@H]2C[C@H](C(=O)NCC(C)C)[C@@H](C1)O2 ZINC000096252959 170041127 /nfs/dbraw/zinc/04/11/27/170041127.db2.gz BKHLUABHLIMRDA-GRYCIOLGSA-N 1 1 240.347 0.868 40 0 BCABMO CCNc1nc(NCC)[nH+]c(NCCO)n1 ZINC000004976925 170177437 /nfs/dbraw/zinc/17/74/37/170177437.db2.gz PWMAUNCPDJKPMM-UHFFFAOYSA-N 1 1 226.284 0.139 40 0 BCABMO CCOC(=O)CC[NH2+]CCCN(C)C ZINC000036667767 170209344 /nfs/dbraw/zinc/20/93/44/170209344.db2.gz PQKVRAZVLWHBNS-UHFFFAOYSA-N 1 1 202.298 0.481 40 0 BCABMO CC[C@@](C)(C(=O)OC)N1CC[NH+](C)CC1 ZINC000022123529 171163812 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/nfs/dbraw/zinc/38/35/63/172383563.db2.gz DTXOORRWVWFXPO-SNVBAGLBSA-N 1 1 236.319 0.710 40 0 BCABMO CN(C)C(=O)[C@@H]1CCC[N@@H+](Cc2ncc[nH]2)C1 ZINC000072368017 172383565 /nfs/dbraw/zinc/38/35/65/172383565.db2.gz DTXOORRWVWFXPO-SNVBAGLBSA-N 1 1 236.319 0.710 40 0 BCABMO CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000072379445 172386053 /nfs/dbraw/zinc/38/60/53/172386053.db2.gz ANMCCFCXMRZTKZ-LBPRGKRZSA-N 1 1 233.315 0.992 40 0 BCABMO Cn1nc([C@H]2CCC[N@@H+](C)C2)cc1CCO ZINC000072382175 173047548 /nfs/dbraw/zinc/04/75/48/173047548.db2.gz YEGITIBOSYHBHD-JTQLQIEISA-N 1 1 223.320 0.764 40 0 BCABMO CN1CC[N@@H+](C)C[C@@H](Cc2ccccn2)C1=O ZINC000072352753 173073155 /nfs/dbraw/zinc/07/31/55/173073155.db2.gz OWFXAYCCZOERPO-LLVKDONJSA-N 1 1 233.315 0.644 40 0 BCABMO CN1C[C@H]2C[N@H+](C3CCOCC3)CCN2C1=O ZINC000077266755 173197957 /nfs/dbraw/zinc/19/79/57/173197957.db2.gz GXPUFYQOVREDFK-NSHDSACASA-N 1 1 239.319 0.217 40 0 biogenic,in-vitro BCABMO CNC(=O)[C@H]1CC[C@@H]2[C@@H](CC[N@H+]2C2CCC2)O1 ZINC000096187259 173308408 /nfs/dbraw/zinc/30/84/08/173308408.db2.gz WNGQHORMINIIFJ-IJLUTSLNSA-N 1 1 238.331 0.907 40 0 BCABMO C[NH2+]Cc1nc(-c2ccc[nH]c2=O)no1 ZINC000328579685 173395859 /nfs/dbraw/zinc/39/58/59/173395859.db2.gz WHDUQGMDIWWNEG-UHFFFAOYSA-N 1 1 206.205 0.557 40 0 BCABMO COc1cccc([C@@H]([NH3+])c2ncn(C)n2)c1 ZINC000095533636 175289115 /nfs/dbraw/zinc/28/91/15/175289115.db2.gz UQAMHVGWXFOFNV-SNVBAGLBSA-N 1 1 218.260 0.872 40 0 BCABMO C[C@@H]1C[N@H+]2C[C@H](O)C[C@H]2CN1Cc1ccncc1 ZINC000072397647 176324521 /nfs/dbraw/zinc/32/45/21/176324521.db2.gz ZVBFTPDSRCSROH-KWCYVHTRSA-N 1 1 247.342 0.721 40 0 BCABMO C[C@H]([C@@H]1CCC[N@@H+]1CCN)n1cccn1 ZINC000022763104 177030863 /nfs/dbraw/zinc/03/08/63/177030863.db2.gz MPSQJZDDRRZRKC-MNOVXSKESA-N 1 1 208.309 0.867 40 0 BCABMO C[C@H]([C@@H]1CCC[N@H+]1CCN)n1cccn1 ZINC000022763104 177030865 /nfs/dbraw/zinc/03/08/65/177030865.db2.gz MPSQJZDDRRZRKC-MNOVXSKESA-N 1 1 208.309 0.867 40 0 BCABMO C[C@H](c1cnccn1)[N@H+]1CCC[C@H](O)C1 ZINC000072203879 177051835 /nfs/dbraw/zinc/05/18/35/177051835.db2.gz BABHTXOUBDXBPZ-ZJUUUORDSA-N 1 1 207.277 0.994 40 0 BCABMO C[C@H]1CN(S(=O)(=O)c2cccs2)CC[NH2+]1 ZINC000062621874 177273679 /nfs/dbraw/zinc/27/36/79/177273679.db2.gz JOIBOXBEEZDBJD-QMMMGPOBSA-N 1 1 246.357 0.731 40 0 BCABMO Cc1cc(C(=O)N2CC[NH+](C)CC2)ccc1N ZINC000020220627 487752863 /nfs/dbraw/zinc/75/28/63/487752863.db2.gz UUDRIQVPMFATFL-UHFFFAOYSA-N 1 1 233.315 0.965 40 0 BCABMO C[N@H+]1CC[C@@H](O)[C@@H](Cc2cccnc2)C1 ZINC000169975262 487793978 /nfs/dbraw/zinc/79/39/78/487793978.db2.gz NTKKSPNSFJHPJY-NWDGAFQWSA-N 1 1 206.289 0.937 40 0 BCABMO