smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006085780 204164595 /nfs/dbraw/zinc/16/45/95/204164595.db2.gz FFZPOJBEZXPEIS-OAQYLSRUSA-N 2 1 384.520 3.079 10 0 GGAEMP C[N@H+]1CCCN(C(=O)[C@H]2CC23CC[NH+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)CC1 ZINC000012154920 204376617 /nfs/dbraw/zinc/37/66/17/204376617.db2.gz YLQFJIKUFTUGAG-PCCBWWKXSA-N 2 1 385.596 3.245 10 0 GGAEMP CC(C)n1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)c2ccccc21 ZINC000039442982 205042617 /nfs/dbraw/zinc/04/26/17/205042617.db2.gz PVTDDJFDXCTTHR-JOCHJYFZSA-N 2 1 398.595 3.185 10 0 GGAEMP CCc1cc(N2CCC([N@@H+](C)Cc3ccccn3)CC2)nc(N2CCCC2)[nH+]1 ZINC000095528885 536144668 /nfs/dbraw/zinc/14/46/68/536144668.db2.gz XIYUZMUFDQEDNH-UHFFFAOYSA-N 2 1 380.540 3.135 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121358415 564365688 /nfs/dbraw/zinc/36/56/88/564365688.db2.gz JAAIGMXCYLNFGF-IEBWSBKVSA-N 2 1 383.989 3.276 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121358415 564365692 /nfs/dbraw/zinc/36/56/92/564365692.db2.gz JAAIGMXCYLNFGF-IEBWSBKVSA-N 2 1 383.989 3.276 10 0 GGAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000123855475 564463150 /nfs/dbraw/zinc/46/31/50/564463150.db2.gz FHYIVOMQUNBRJC-GXTWGEPZSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@H+]1C ZINC000123855475 564463157 /nfs/dbraw/zinc/46/31/57/564463157.db2.gz FHYIVOMQUNBRJC-GXTWGEPZSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855475 564463161 /nfs/dbraw/zinc/46/31/61/564463161.db2.gz FHYIVOMQUNBRJC-GXTWGEPZSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855475 564463167 /nfs/dbraw/zinc/46/31/67/564463167.db2.gz FHYIVOMQUNBRJC-GXTWGEPZSA-N 2 1 386.309 3.331 10 0 GGAEMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000057847014 564676687 /nfs/dbraw/zinc/67/66/87/564676687.db2.gz PHZXRAXZEMSPQN-UHFFFAOYSA-N 2 1 382.346 3.441 10 0 GGAEMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000076004036 564863083 /nfs/dbraw/zinc/86/30/83/564863083.db2.gz JQLACCSRLXKSNR-CABCVRRESA-N 2 1 375.340 3.397 10 0 GGAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000076004036 564863085 /nfs/dbraw/zinc/86/30/85/564863085.db2.gz JQLACCSRLXKSNR-CABCVRRESA-N 2 1 375.340 3.397 10 0 GGAEMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275420686 565409056 /nfs/dbraw/zinc/40/90/56/565409056.db2.gz DPSZDXQCQKYBCS-UONOGXRCSA-N 2 1 391.313 3.215 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)c1C ZINC000301687362 565504876 /nfs/dbraw/zinc/50/48/76/565504876.db2.gz XHUVYFQNNIASBI-SJORKVTESA-N 2 1 376.298 3.133 10 0 GGAEMP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715803 565507332 /nfs/dbraw/zinc/50/73/32/565507332.db2.gz JVIGMJYGRJWGDQ-CVEARBPZSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715803 565507336 /nfs/dbraw/zinc/50/73/36/565507336.db2.gz JVIGMJYGRJWGDQ-CVEARBPZSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727128 565508548 /nfs/dbraw/zinc/50/85/48/565508548.db2.gz QPSSEWYJLCJEMM-HZPDHXFCSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727128 565508554 /nfs/dbraw/zinc/50/85/54/565508554.db2.gz QPSSEWYJLCJEMM-HZPDHXFCSA-N 2 1 390.325 3.423 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000302443737 565542592 /nfs/dbraw/zinc/54/25/92/565542592.db2.gz QZKYJRQRSOJKGY-LBPRGKRZSA-N 2 1 378.314 3.117 10 0 GGAEMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2c(Br)cnn2C)cc1 ZINC000278416864 565558053 /nfs/dbraw/zinc/55/80/53/565558053.db2.gz QCXPJMFSSYITTO-UHFFFAOYSA-N 2 1 395.345 3.193 10 0 GGAEMP C[C@@H](NCc1c(Br)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710258 565574469 /nfs/dbraw/zinc/57/44/69/565574469.db2.gz KHXCKBVAJKUZAB-GDBMZVCRSA-N 2 1 377.330 3.183 10 0 GGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693912 565622022 /nfs/dbraw/zinc/62/20/22/565622022.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693912 565622026 /nfs/dbraw/zinc/62/20/26/565622026.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693912 565622030 /nfs/dbraw/zinc/62/20/30/565622030.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000191693912 565622035 /nfs/dbraw/zinc/62/20/35/565622035.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693912 565622041 /nfs/dbraw/zinc/62/20/41/565622041.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693912 565622047 /nfs/dbraw/zinc/62/20/47/565622047.db2.gz BMWSIHLWECTPML-MAUKXSAKSA-N 2 1 396.373 3.200 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770701 565657560 /nfs/dbraw/zinc/65/75/60/565657560.db2.gz NFIQGSGXGGCEPJ-PBHICJAKSA-N 2 1 382.346 3.358 10 0 GGAEMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284454 565761909 /nfs/dbraw/zinc/76/19/09/565761909.db2.gz SEFDYYQNANMIAB-CABCVRRESA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284454 565761916 /nfs/dbraw/zinc/76/19/16/565761916.db2.gz SEFDYYQNANMIAB-CABCVRRESA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284454 565761923 /nfs/dbraw/zinc/76/19/23/565761923.db2.gz SEFDYYQNANMIAB-CABCVRRESA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284454 565761927 /nfs/dbraw/zinc/76/19/27/565761927.db2.gz SEFDYYQNANMIAB-CABCVRRESA-N 2 1 375.340 3.397 10 0 GGAEMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000414074317 565892414 /nfs/dbraw/zinc/89/24/14/565892414.db2.gz OALXWNVEKOFHJO-JKSUJKDBSA-N 2 1 384.362 3.244 10 0 GGAEMP C[NH+](CCOCC[N@H+](C)Cc1ccc(Cl)nc1)Cc1ccc(Cl)nc1 ZINC000178710331 565934071 /nfs/dbraw/zinc/93/40/71/565934071.db2.gz PWXAITKAPVVYED-UHFFFAOYSA-N 2 1 383.323 3.364 10 0 GGAEMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000414754785 565959020 /nfs/dbraw/zinc/95/90/20/565959020.db2.gz YKVVBZXETQPWKT-INIZCTEOSA-N 2 1 382.346 3.473 10 0 GGAEMP Brc1cc2c(c(C[NH2+]CCC[NH2+]Cc3cccnc3)c1)OCC2 ZINC000414888961 565964382 /nfs/dbraw/zinc/96/43/82/565964382.db2.gz YJJSUTXTJGRAMI-UHFFFAOYSA-N 2 1 376.298 3.049 10 0 GGAEMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060370 565971952 /nfs/dbraw/zinc/97/19/52/565971952.db2.gz WNABASSLPGKDGS-MNNVXMFVSA-N 2 1 380.374 3.186 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415107784 565973350 /nfs/dbraw/zinc/97/33/50/565973350.db2.gz LQEWGPJQGIPKMO-SJLPKXTDSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122644 565974825 /nfs/dbraw/zinc/97/48/25/565974825.db2.gz KCDXRRBVFRYJGV-SJLPKXTDSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1sc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1Br ZINC000179515786 565986772 /nfs/dbraw/zinc/98/67/72/565986772.db2.gz GCICOSASYXKXLU-GFCCVEGCSA-N 2 1 391.375 3.044 10 0 GGAEMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247475519 566061995 /nfs/dbraw/zinc/06/19/95/566061995.db2.gz JQLACCSRLXKSNR-LSDHHAIUSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247475519 566061997 /nfs/dbraw/zinc/06/19/97/566061997.db2.gz JQLACCSRLXKSNR-LSDHHAIUSA-N 2 1 375.340 3.397 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261878825 566139001 /nfs/dbraw/zinc/13/90/01/566139001.db2.gz FCLYGFVJDKWTKV-RCCFBDPRSA-N 2 1 381.358 3.473 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261875955 566139160 /nfs/dbraw/zinc/13/91/60/566139160.db2.gz DSKFZPCEJGDRFK-KURKYZTESA-N 2 1 381.358 3.473 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381827 566275470 /nfs/dbraw/zinc/27/54/70/566275470.db2.gz CTFLKXBYRMIMSL-PBHICJAKSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395589 566275919 /nfs/dbraw/zinc/27/59/19/566275919.db2.gz LKCNFCKQLQWJPT-SUMWQHHRSA-N 2 1 398.320 3.381 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420400275 566276485 /nfs/dbraw/zinc/27/64/85/566276485.db2.gz OOSNCPIIWUZTCM-MAUKXSAKSA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420400275 566276494 /nfs/dbraw/zinc/27/64/94/566276494.db2.gz OOSNCPIIWUZTCM-MAUKXSAKSA-N 2 1 384.351 3.416 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381834 566276759 /nfs/dbraw/zinc/27/67/59/566276759.db2.gz CTFLKXBYRMIMSL-YOEHRIQHSA-N 2 1 380.330 3.242 10 0 GGAEMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000625277808 566302290 /nfs/dbraw/zinc/30/22/90/566302290.db2.gz UGQJRUAJFCZDHJ-UHFFFAOYSA-N 2 1 384.362 3.415 10 0 GGAEMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000625277808 566302292 /nfs/dbraw/zinc/30/22/92/566302292.db2.gz UGQJRUAJFCZDHJ-UHFFFAOYSA-N 2 1 384.362 3.415 10 0 GGAEMP CN(C(=O)c1csc(C(F)(F)F)c1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625502683 566329994 /nfs/dbraw/zinc/32/99/94/566329994.db2.gz CWFOUWRXPNDQRD-AWEZNQCLSA-N 2 1 375.460 3.007 10 0 GGAEMP CN(C(=O)c1csc(C(F)(F)F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625502683 566330002 /nfs/dbraw/zinc/33/00/02/566330002.db2.gz CWFOUWRXPNDQRD-AWEZNQCLSA-N 2 1 375.460 3.007 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@H]43)nc12 ZINC000556891186 566341063 /nfs/dbraw/zinc/34/10/63/566341063.db2.gz BSSJIZPRLVENRO-GVDBMIGSSA-N 2 1 377.330 3.368 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)nc12 ZINC000556891186 566341068 /nfs/dbraw/zinc/34/10/68/566341068.db2.gz BSSJIZPRLVENRO-GVDBMIGSSA-N 2 1 377.330 3.368 10 0 GGAEMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796163 566360473 /nfs/dbraw/zinc/36/04/73/566360473.db2.gz HGQPJKPEBLBNMD-IBGZPJMESA-N 2 1 392.341 3.244 10 0 GGAEMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3nn(C)c(C)c3Cl)CC2)cs1 ZINC000421363672 566367868 /nfs/dbraw/zinc/36/78/68/566367868.db2.gz LWOFKFFVIFIBLQ-UHFFFAOYSA-N 2 1 381.977 3.403 10 0 GGAEMP CC[C@@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873116 566462869 /nfs/dbraw/zinc/46/28/69/566462869.db2.gz KBAXIXRBQDHFHK-CFVMTHIKSA-N 2 1 376.854 3.453 10 0 GGAEMP C[C@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000422902199 566465453 /nfs/dbraw/zinc/46/54/53/566465453.db2.gz UADYYMBPFWEIBF-UONOGXRCSA-N 2 1 375.314 3.434 10 0 GGAEMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422941499 566467266 /nfs/dbraw/zinc/46/72/66/566467266.db2.gz JIVYPNYJTBXJBG-KBPBESRZSA-N 2 1 375.314 3.434 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722098 566473310 /nfs/dbraw/zinc/47/33/10/566473310.db2.gz KSDXIHYFBPCVSE-BMFZPTHFSA-N 2 1 397.313 3.039 10 0 GGAEMP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721828 566473350 /nfs/dbraw/zinc/47/33/50/566473350.db2.gz CJJLYHTWZVYDPH-LZLYRXPVSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650722562 566474110 /nfs/dbraw/zinc/47/41/10/566474110.db2.gz WOFOVEVWFAENRA-KYJSFNMBSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650722563 566474132 /nfs/dbraw/zinc/47/41/32/566474132.db2.gz WOFOVEVWFAENRA-LESCRADOSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723353 566474380 /nfs/dbraw/zinc/47/43/80/566474380.db2.gz MHMNJWPCWKOCRH-DJIMGWMZSA-N 2 1 383.330 3.319 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723018 566474452 /nfs/dbraw/zinc/47/44/52/566474452.db2.gz GHPRSYSNNNDSDP-SQNIBIBYSA-N 2 1 395.341 3.245 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723016 566474484 /nfs/dbraw/zinc/47/44/84/566474484.db2.gz GHPRSYSNNNDSDP-KURKYZTESA-N 2 1 395.341 3.245 10 0 GGAEMP COc1sc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650723071 566474503 /nfs/dbraw/zinc/47/45/03/566474503.db2.gz HBYXCBNDCDHGGT-KCPJHIHWSA-N 2 1 389.359 3.380 10 0 GGAEMP COc1sc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650723071 566474509 /nfs/dbraw/zinc/47/45/09/566474509.db2.gz HBYXCBNDCDHGGT-KCPJHIHWSA-N 2 1 389.359 3.380 10 0 GGAEMP Cc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423161646 566479855 /nfs/dbraw/zinc/47/98/55/566479855.db2.gz NYBKYQCQIMTFQJ-HIFRSBDPSA-N 2 1 378.314 3.067 10 0 GGAEMP Brc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423505209 566489793 /nfs/dbraw/zinc/48/97/93/566489793.db2.gz GRRVTZPHOUJHKS-FAFZWHIHSA-N 2 1 378.358 3.242 10 0 GGAEMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423507951 566490300 /nfs/dbraw/zinc/49/03/00/566490300.db2.gz KFLSCJXSUJZUAC-JRSKDTKFSA-N 2 1 396.348 3.382 10 0 GGAEMP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Br)c1 ZINC000423506395 566490574 /nfs/dbraw/zinc/49/05/74/566490574.db2.gz IQNLSZSVRXWSCB-QQFBHYJXSA-N 2 1 396.373 3.325 10 0 GGAEMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1F ZINC000423509789 566491054 /nfs/dbraw/zinc/49/10/54/566491054.db2.gz MRWMNSYCUBQHGC-JEYLPNPQSA-N 2 1 384.337 3.455 10 0 GGAEMP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423517257 566492773 /nfs/dbraw/zinc/49/27/73/566492773.db2.gz XPYLBMSYCHXYQL-SSDMNJCBSA-N 2 1 384.387 3.304 10 0 GGAEMP Brc1cccc2c1C[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423516753 566492845 /nfs/dbraw/zinc/49/28/45/566492845.db2.gz XJLKIEZFHXEWSI-ADKAHSJRSA-N 2 1 392.385 3.112 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C3CC3)CC2)cc1Br ZINC000559038558 566520856 /nfs/dbraw/zinc/52/08/56/566520856.db2.gz HNGMRYAWACNIOQ-UHFFFAOYSA-N 2 1 380.330 3.324 10 0 GGAEMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449150493 566533170 /nfs/dbraw/zinc/53/31/70/566533170.db2.gz RLGROFQLSZKZLJ-CXAGYDPISA-N 2 1 385.321 3.402 10 0 GGAEMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578985821 566570611 /nfs/dbraw/zinc/57/06/11/566570611.db2.gz VSWICSRNCHJGCF-IJEWVQPXSA-N 2 1 377.838 3.102 10 0 GGAEMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578985821 566570616 /nfs/dbraw/zinc/57/06/16/566570616.db2.gz VSWICSRNCHJGCF-IJEWVQPXSA-N 2 1 377.838 3.102 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149463 566583198 /nfs/dbraw/zinc/58/31/98/566583198.db2.gz LAXWBGNTKLBISH-SJLPKXTDSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000513149463 566583212 /nfs/dbraw/zinc/58/32/12/566583212.db2.gz LAXWBGNTKLBISH-SJLPKXTDSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000513158990 566584546 /nfs/dbraw/zinc/58/45/46/566584546.db2.gz JLSUZNVFAUDIMK-QGZVFWFLSA-N 2 1 380.286 3.022 10 0 GGAEMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344171 566601074 /nfs/dbraw/zinc/60/10/74/566601074.db2.gz VEOGPUQFUDINDK-GJZGRUSLSA-N 2 1 375.340 3.301 10 0 GGAEMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969844 566602559 /nfs/dbraw/zinc/60/25/59/566602559.db2.gz ZNEPRKYFVZPFQN-XJKSGUPXSA-N 2 1 390.380 3.150 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360195 566605446 /nfs/dbraw/zinc/60/54/46/566605446.db2.gz CLPHRPCBHHNLBD-NJAFHUGGSA-N 2 1 383.330 3.189 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2Br)C1 ZINC000652364012 566605901 /nfs/dbraw/zinc/60/59/01/566605901.db2.gz VCNHZXABEWIWIE-HFTRVMKXSA-N 2 1 383.330 3.189 10 0 GGAEMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300123 566642219 /nfs/dbraw/zinc/64/22/19/566642219.db2.gz YYTWWNIFZRWQII-WMZOPIPTSA-N 2 1 394.357 3.077 10 0 GGAEMP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccc(Br)cc3)s2)CCOCC1 ZINC000629388615 566653060 /nfs/dbraw/zinc/65/30/60/566653060.db2.gz QITTUAAMPRFGRN-UHFFFAOYSA-N 2 1 382.327 3.170 10 0 GGAEMP Brc1ccc(S[C@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547211 566664777 /nfs/dbraw/zinc/66/47/77/566664777.db2.gz FIZXSXSBCFUQOB-ZBFHGGJFSA-N 2 1 383.355 3.137 10 0 GGAEMP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629558180 566666339 /nfs/dbraw/zinc/66/63/39/566666339.db2.gz CJVOWLHEWQRJNM-HOCLYGCPSA-N 2 1 381.314 3.116 10 0 GGAEMP C[NH2+]CCOCC[N@@H+](C)Cc1c(-c2ccc(Cl)cc2)nc2sccn21 ZINC000629572498 566667001 /nfs/dbraw/zinc/66/70/01/566667001.db2.gz UZQWTKAIPJUQAQ-UHFFFAOYSA-N 2 1 378.929 3.384 10 0 GGAEMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649894 566775137 /nfs/dbraw/zinc/77/51/37/566775137.db2.gz BCXNWZJTRBCCBK-UONOGXRCSA-N 2 1 380.323 3.396 10 0 GGAEMP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241806 566844184 /nfs/dbraw/zinc/84/41/84/566844184.db2.gz KMPCMNWBTFGRHR-BARDWOONSA-N 2 1 384.351 3.491 10 0 GGAEMP C[NH+](C)Cc1ccc(NC2CC[NH+]([C@H]3CCOC3)CC2)cc1Br ZINC000655758270 566845145 /nfs/dbraw/zinc/84/51/45/566845145.db2.gz VBDYHERQWZXIFB-KRWDZBQOSA-N 2 1 382.346 3.176 10 0 GGAEMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507243 567032311 /nfs/dbraw/zinc/03/23/11/567032311.db2.gz ULTLRDWEPDHHLR-JKSUJKDBSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507243 567032315 /nfs/dbraw/zinc/03/23/15/567032315.db2.gz ULTLRDWEPDHHLR-JKSUJKDBSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507243 567032322 /nfs/dbraw/zinc/03/23/22/567032322.db2.gz ULTLRDWEPDHHLR-JKSUJKDBSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507243 567032326 /nfs/dbraw/zinc/03/23/26/567032326.db2.gz ULTLRDWEPDHHLR-JKSUJKDBSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507238 567032736 /nfs/dbraw/zinc/03/27/36/567032736.db2.gz ULTLRDWEPDHHLR-HOTGVXAUSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507238 567032741 /nfs/dbraw/zinc/03/27/41/567032741.db2.gz ULTLRDWEPDHHLR-HOTGVXAUSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507238 567032752 /nfs/dbraw/zinc/03/27/52/567032752.db2.gz ULTLRDWEPDHHLR-HOTGVXAUSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507238 567032757 /nfs/dbraw/zinc/03/27/57/567032757.db2.gz ULTLRDWEPDHHLR-HOTGVXAUSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000565263348 567051814 /nfs/dbraw/zinc/05/18/14/567051814.db2.gz WFPHDVLQFMELLJ-FGTMMUONSA-N 2 1 394.357 3.031 10 0 GGAEMP Oc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000657597300 567074738 /nfs/dbraw/zinc/07/47/38/567074738.db2.gz SPAYTBYUXZBRAE-KRWDZBQOSA-N 2 1 391.309 3.011 10 0 GGAEMP Oc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1Br ZINC000657597300 567074744 /nfs/dbraw/zinc/07/47/44/567074744.db2.gz SPAYTBYUXZBRAE-KRWDZBQOSA-N 2 1 391.309 3.011 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@H]2CCC[C@@H]21 ZINC000453367419 567080560 /nfs/dbraw/zinc/08/05/60/567080560.db2.gz MMFZCPKHVCFETQ-OLQIXAPSSA-N 2 1 399.348 3.202 10 0 GGAEMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000522011094 567093441 /nfs/dbraw/zinc/09/34/41/567093441.db2.gz MUVNGYYCPUXORN-UHFFFAOYSA-N 2 1 378.314 3.411 10 0 GGAEMP CC[C@@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061469 567118441 /nfs/dbraw/zinc/11/84/41/567118441.db2.gz OKKBJUBVTZDMEM-GDBMZVCRSA-N 2 1 387.977 3.162 10 0 GGAEMP CC[C@@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061469 567118442 /nfs/dbraw/zinc/11/84/42/567118442.db2.gz OKKBJUBVTZDMEM-GDBMZVCRSA-N 2 1 387.977 3.162 10 0 GGAEMP CC[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061475 567119345 /nfs/dbraw/zinc/11/93/45/567119345.db2.gz OKKBJUBVTZDMEM-ZBFHGGJFSA-N 2 1 387.977 3.162 10 0 GGAEMP CC[C@H](NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061475 567119352 /nfs/dbraw/zinc/11/93/52/567119352.db2.gz OKKBJUBVTZDMEM-ZBFHGGJFSA-N 2 1 387.977 3.162 10 0 GGAEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108917 567126334 /nfs/dbraw/zinc/12/63/34/567126334.db2.gz IWNOBJRQYMXLRZ-LSDHHAIUSA-N 2 1 375.340 3.443 10 0 GGAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108916 567126807 /nfs/dbraw/zinc/12/68/07/567126807.db2.gz IWNOBJRQYMXLRZ-HUUCEWRRSA-N 2 1 375.340 3.443 10 0 GGAEMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCCC[C@H]1C ZINC000659292352 567200239 /nfs/dbraw/zinc/20/02/39/567200239.db2.gz OSDWOQLKBLYYNN-MNOVXSKESA-N 2 1 386.359 3.107 10 0 GGAEMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCCC[C@H]1C ZINC000659292352 567200241 /nfs/dbraw/zinc/20/02/41/567200241.db2.gz OSDWOQLKBLYYNN-MNOVXSKESA-N 2 1 386.359 3.107 10 0 GGAEMP O=C(NCC[NH2+]C1CCCCCC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000659294479 567201679 /nfs/dbraw/zinc/20/16/79/567201679.db2.gz NTDJHDIYCLHWIR-UHFFFAOYSA-N 2 1 386.359 3.156 10 0 GGAEMP C[NH+](C)CC[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)C(C)(C)C ZINC000659293677 567201838 /nfs/dbraw/zinc/20/18/38/567201838.db2.gz XWHBTLLETLCRAQ-LBPRGKRZSA-N 2 1 388.375 3.210 10 0 GGAEMP CC[NH2+]Cc1ccccc1NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659302040 567202444 /nfs/dbraw/zinc/20/24/44/567202444.db2.gz BQOGHVHMWOAAFM-UHFFFAOYSA-N 2 1 380.311 3.476 10 0 GGAEMP C[C@@H]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H]1CCC[NH3+] ZINC000659376113 567211568 /nfs/dbraw/zinc/21/15/68/567211568.db2.gz SWNKUOKDOSWTOQ-ZYHUDNBSSA-N 2 1 386.359 3.093 10 0 GGAEMP COc1cc(Br)ccc1CN(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457721 567275526 /nfs/dbraw/zinc/27/55/26/567275526.db2.gz KQTLHRZEWMQKEE-SFHVURJKSA-N 2 1 396.373 3.058 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457721 567275529 /nfs/dbraw/zinc/27/55/29/567275529.db2.gz KQTLHRZEWMQKEE-SFHVURJKSA-N 2 1 396.373 3.058 10 0 GGAEMP COc1cc(Br)ccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457721 567275534 /nfs/dbraw/zinc/27/55/34/567275534.db2.gz KQTLHRZEWMQKEE-SFHVURJKSA-N 2 1 396.373 3.058 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617504687 567316539 /nfs/dbraw/zinc/31/65/39/567316539.db2.gz FXIVUWXZYJVWAL-HNNXBMFYSA-N 2 1 398.389 3.115 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccc(Br)cc1 ZINC000617504687 567316544 /nfs/dbraw/zinc/31/65/44/567316544.db2.gz FXIVUWXZYJVWAL-HNNXBMFYSA-N 2 1 398.389 3.115 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617504923 567317075 /nfs/dbraw/zinc/31/70/75/567317075.db2.gz PJUCBAUAAHWTLA-HNNXBMFYSA-N 2 1 398.389 3.115 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1cccc(Br)c1 ZINC000617504923 567317082 /nfs/dbraw/zinc/31/70/82/567317082.db2.gz PJUCBAUAAHWTLA-HNNXBMFYSA-N 2 1 398.389 3.115 10 0 GGAEMP CC[C@@H]1C[N@@H+](CCCOc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592427604 567338247 /nfs/dbraw/zinc/33/82/47/567338247.db2.gz HAJIJCRIPVPUOU-CZUORRHYSA-N 2 1 388.293 3.119 10 0 GGAEMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccsc3Br)cn2)CC1 ZINC000527638494 567355404 /nfs/dbraw/zinc/35/54/04/567355404.db2.gz KDBXOZXOZOOXEB-UHFFFAOYSA-N 2 1 395.370 3.337 10 0 GGAEMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Br)C1 ZINC000527691168 567361923 /nfs/dbraw/zinc/36/19/23/567361923.db2.gz LMJGMMFCSICWNZ-INIZCTEOSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Br)C1 ZINC000527691168 567361926 /nfs/dbraw/zinc/36/19/26/567361926.db2.gz LMJGMMFCSICWNZ-INIZCTEOSA-N 2 1 381.339 3.367 10 0 GGAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632995 567418360 /nfs/dbraw/zinc/41/83/60/567418360.db2.gz XJQJSNDCVRLGPT-OAHLLOKOSA-N 2 1 392.341 3.241 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662295877 567425278 /nfs/dbraw/zinc/42/52/78/567425278.db2.gz INRAZBHEZNAGDD-INIZCTEOSA-N 2 1 394.357 3.489 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000662321868 567427458 /nfs/dbraw/zinc/42/74/58/567427458.db2.gz FHOXHPNPCMXGFW-SFHVURJKSA-N 2 1 397.357 3.455 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000662321868 567427460 /nfs/dbraw/zinc/42/74/60/567427460.db2.gz FHOXHPNPCMXGFW-SFHVURJKSA-N 2 1 397.357 3.455 10 0 GGAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000569752511 567430098 /nfs/dbraw/zinc/43/00/98/567430098.db2.gz DLYXRLUKYIPZDC-AWEZNQCLSA-N 2 1 382.961 3.371 10 0 GGAEMP CC[NH2+]Cc1cccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662399568 567433859 /nfs/dbraw/zinc/43/38/59/567433859.db2.gz WDNHQNBXUIPPNF-UHFFFAOYSA-N 2 1 380.311 3.476 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662477410 567439580 /nfs/dbraw/zinc/43/95/80/567439580.db2.gz DGWLDJPGGHNZGN-LBPRGKRZSA-N 2 1 398.370 3.062 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662468795 567439877 /nfs/dbraw/zinc/43/98/77/567439877.db2.gz SQPMWCAMIVFXGU-UHFFFAOYSA-N 2 1 398.370 3.204 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[N@H+](C2CCCC2)CC1 ZINC000662468795 567439882 /nfs/dbraw/zinc/43/98/82/567439882.db2.gz SQPMWCAMIVFXGU-UHFFFAOYSA-N 2 1 398.370 3.204 10 0 GGAEMP [NH3+]CCCN(CC1CCCC1)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662563145 567449770 /nfs/dbraw/zinc/44/97/70/567449770.db2.gz MXHADCASWIIYCO-UHFFFAOYSA-N 2 1 386.359 3.095 10 0 GGAEMP C[NH2+][C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588425 567450853 /nfs/dbraw/zinc/45/08/53/567450853.db2.gz BSDFTEZSVQIRHM-KSSFIOAISA-N 2 1 384.351 3.492 10 0 GGAEMP CC(C)[NH+]1CCC(N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662673917 567455857 /nfs/dbraw/zinc/45/58/57/567455857.db2.gz SLPNCZPENXCRCX-UHFFFAOYSA-N 2 1 386.359 3.059 10 0 GGAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1sc2c(c1Br)CNC2 ZINC000662745240 567460999 /nfs/dbraw/zinc/46/09/99/567460999.db2.gz KORQPMYUMOEFCR-LLVKDONJSA-N 2 1 386.359 3.060 10 0 GGAEMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662745240 567461005 /nfs/dbraw/zinc/46/10/05/567461005.db2.gz KORQPMYUMOEFCR-LLVKDONJSA-N 2 1 386.359 3.060 10 0 GGAEMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662745240 567461010 /nfs/dbraw/zinc/46/10/10/567461010.db2.gz KORQPMYUMOEFCR-LLVKDONJSA-N 2 1 386.359 3.060 10 0 GGAEMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000550890856 567468551 /nfs/dbraw/zinc/46/85/51/567468551.db2.gz IUIBUHSGYXENFS-HOTGVXAUSA-N 2 1 384.362 3.101 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000570553179 567494482 /nfs/dbraw/zinc/49/44/82/567494482.db2.gz ARUMOWKNSHGURA-OQIJWPOYSA-N 2 1 381.358 3.063 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000570553181 567495656 /nfs/dbraw/zinc/49/56/56/567495656.db2.gz ARUMOWKNSHGURA-YSHGAJCASA-N 2 1 381.358 3.063 10 0 GGAEMP C[C@@H](NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442228 567509135 /nfs/dbraw/zinc/50/91/35/567509135.db2.gz FZDHEJWIYKAFOI-LSDHHAIUSA-N 2 1 399.377 3.081 10 0 GGAEMP C[C@@H](NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000663442228 567509139 /nfs/dbraw/zinc/50/91/39/567509139.db2.gz FZDHEJWIYKAFOI-LSDHHAIUSA-N 2 1 399.377 3.081 10 0 GGAEMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497362 567512125 /nfs/dbraw/zinc/51/21/25/567512125.db2.gz FUMTYUATHFIHIE-VHTNMKBUSA-N 2 1 375.822 3.418 10 0 GGAEMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc(I)cc1 ZINC000594995938 567532891 /nfs/dbraw/zinc/53/28/91/567532891.db2.gz MFZVJLWKVCHVDZ-UHFFFAOYSA-N 2 1 381.261 3.085 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552064018 567554588 /nfs/dbraw/zinc/55/45/88/567554588.db2.gz UYZQFRDBYPYOLV-XGXHKWSGSA-N 2 1 378.358 3.490 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3ccnc4ccc(Br)cc43)CC2)C1 ZINC000664599808 567577497 /nfs/dbraw/zinc/57/74/97/567577497.db2.gz BHUPJZFFMRFQIY-HNNXBMFYSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)C1 ZINC000664599808 567577503 /nfs/dbraw/zinc/57/75/03/567577503.db2.gz BHUPJZFFMRFQIY-HNNXBMFYSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)C1 ZINC000664599808 567577511 /nfs/dbraw/zinc/57/75/11/567577511.db2.gz BHUPJZFFMRFQIY-HNNXBMFYSA-N 2 1 376.298 3.033 10 0 GGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340003 567578632 /nfs/dbraw/zinc/57/86/32/567578632.db2.gz ITCMHOSIQCEJMP-CRAIPNDOSA-N 2 1 377.330 3.146 10 0 GGAEMP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000530238367 567586125 /nfs/dbraw/zinc/58/61/25/567586125.db2.gz MOIBDTBTONXCRR-OAHLLOKOSA-N 2 1 386.323 3.022 10 0 GGAEMP COc1ccc(Br)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238785 567586462 /nfs/dbraw/zinc/58/64/62/567586462.db2.gz CENINYPRFUJOQS-QGZVFWFLSA-N 2 1 383.330 3.048 10 0 GGAEMP COc1c(Br)cccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249274 567587802 /nfs/dbraw/zinc/58/78/02/567587802.db2.gz UNGBKZYHXDHVSY-INIZCTEOSA-N 2 1 383.330 3.048 10 0 GGAEMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000665172940 567612136 /nfs/dbraw/zinc/61/21/36/567612136.db2.gz NNTYGCNZYYCUGP-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000665172940 567612141 /nfs/dbraw/zinc/61/21/41/567612141.db2.gz NNTYGCNZYYCUGP-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665601075 567630323 /nfs/dbraw/zinc/63/03/23/567630323.db2.gz PSTDDLXOLOPMES-HNNXBMFYSA-N 2 1 399.377 3.459 10 0 GGAEMP Cc1cc(Br)cc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665601075 567630326 /nfs/dbraw/zinc/63/03/26/567630326.db2.gz PSTDDLXOLOPMES-HNNXBMFYSA-N 2 1 399.377 3.459 10 0 GGAEMP Cc1ccc(Br)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665628022 567631270 /nfs/dbraw/zinc/63/12/70/567631270.db2.gz CRRJEJHRQHSFHK-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP Cc1ccc(Br)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665628022 567631275 /nfs/dbraw/zinc/63/12/75/567631275.db2.gz CRRJEJHRQHSFHK-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701206 567640639 /nfs/dbraw/zinc/64/06/39/567640639.db2.gz IKVKTLNUSODBHI-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701206 567640644 /nfs/dbraw/zinc/64/06/44/567640644.db2.gz IKVKTLNUSODBHI-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701206 567640650 /nfs/dbraw/zinc/64/06/50/567640650.db2.gz IKVKTLNUSODBHI-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701202 567641232 /nfs/dbraw/zinc/64/12/32/567641232.db2.gz IKVKTLNUSODBHI-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701202 567641239 /nfs/dbraw/zinc/64/12/39/567641239.db2.gz IKVKTLNUSODBHI-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701202 567641244 /nfs/dbraw/zinc/64/12/44/567641244.db2.gz IKVKTLNUSODBHI-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596651412 567646885 /nfs/dbraw/zinc/64/68/85/567646885.db2.gz PIYONIVNXZBQMC-QMTHXVAHSA-N 2 1 378.685 3.422 10 0 GGAEMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454345 567712012 /nfs/dbraw/zinc/71/20/12/567712012.db2.gz ANZYZTSOLBHGAN-KRWDZBQOSA-N 2 1 396.373 3.248 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454345 567712017 /nfs/dbraw/zinc/71/20/17/567712017.db2.gz ANZYZTSOLBHGAN-KRWDZBQOSA-N 2 1 396.373 3.248 10 0 GGAEMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454346 567712085 /nfs/dbraw/zinc/71/20/85/567712085.db2.gz ANZYZTSOLBHGAN-QGZVFWFLSA-N 2 1 396.373 3.248 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1(C)C ZINC000623454346 567712089 /nfs/dbraw/zinc/71/20/89/567712089.db2.gz ANZYZTSOLBHGAN-QGZVFWFLSA-N 2 1 396.373 3.248 10 0 GGAEMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623491184 567714834 /nfs/dbraw/zinc/71/48/34/567714834.db2.gz IKLNNPNDIBPDRD-OAHLLOKOSA-N 2 1 379.346 3.410 10 0 GGAEMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871379 567714900 /nfs/dbraw/zinc/71/49/00/567714900.db2.gz FWBOETMFEUNVCQ-AWEZNQCLSA-N 2 1 386.353 3.135 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542339 567720456 /nfs/dbraw/zinc/72/04/56/567720456.db2.gz WKHYSAZGQSOVJL-HUUCEWRRSA-N 2 1 387.337 3.202 10 0 GGAEMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541408 567720887 /nfs/dbraw/zinc/72/08/87/567720887.db2.gz HYXJNBMQWVENKH-JKSUJKDBSA-N 2 1 399.373 3.071 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541803 567720909 /nfs/dbraw/zinc/72/09/09/567720909.db2.gz YQKDOESWHFJELP-CZUORRHYSA-N 2 1 387.337 3.202 10 0 GGAEMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541901 567721094 /nfs/dbraw/zinc/72/10/94/567721094.db2.gz CPXHZEQFBCBFMA-WBVHZDCISA-N 2 1 383.374 3.371 10 0 GGAEMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541899 567721157 /nfs/dbraw/zinc/72/11/57/567721157.db2.gz CPXHZEQFBCBFMA-NVXWUHKLSA-N 2 1 383.374 3.371 10 0 GGAEMP COc1ncc(Br)cc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000623664808 567728988 /nfs/dbraw/zinc/72/89/88/567728988.db2.gz PADNGNMNHCWUHY-UHFFFAOYSA-N 2 1 394.313 3.083 10 0 GGAEMP CN(C)c1cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)ncc1Br ZINC000667203464 567733978 /nfs/dbraw/zinc/73/39/78/567733978.db2.gz OVSSNLFWAKQMIM-LBPRGKRZSA-N 2 1 398.349 3.152 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313514 567770834 /nfs/dbraw/zinc/77/08/34/567770834.db2.gz UYVYLGGZBILOJL-USXIJHARSA-N 2 1 376.488 3.402 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313514 567770841 /nfs/dbraw/zinc/77/08/41/567770841.db2.gz UYVYLGGZBILOJL-USXIJHARSA-N 2 1 376.488 3.402 10 0 GGAEMP Brc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCCCO2 ZINC000647544514 567791031 /nfs/dbraw/zinc/79/10/31/567791031.db2.gz CBNXHFLIABJURO-GASCZTMLSA-N 2 1 381.314 3.042 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901815 567805628 /nfs/dbraw/zinc/80/56/28/567805628.db2.gz VVFAOLQFLJAJQT-YOEHRIQHSA-N 2 1 380.330 3.242 10 0 GGAEMP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000647955090 567807991 /nfs/dbraw/zinc/80/79/91/567807991.db2.gz UBOBKWWHQRJLPP-LJQANCHMSA-N 2 1 387.325 3.482 10 0 GGAEMP Brc1ccc(-c2nccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000647955090 567808000 /nfs/dbraw/zinc/80/80/00/567808000.db2.gz UBOBKWWHQRJLPP-LJQANCHMSA-N 2 1 387.325 3.482 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975763 567809165 /nfs/dbraw/zinc/80/91/65/567809165.db2.gz FPXQMGXSNCDFDJ-OWCLPIDISA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975763 567809166 /nfs/dbraw/zinc/80/91/66/567809166.db2.gz FPXQMGXSNCDFDJ-OWCLPIDISA-N 2 1 394.357 3.488 10 0 GGAEMP C[NH+]1CCC2(CC1)C[N@H+](CC1=Cc3cc(Br)ccc3OC1)CCO2 ZINC000648071701 567812764 /nfs/dbraw/zinc/81/27/64/567812764.db2.gz PKXZOATWEAVERR-UHFFFAOYSA-N 2 1 393.325 3.022 10 0 GGAEMP C[NH+]1CCC2(CC1)C[N@@H+](CC1=Cc3cc(Br)ccc3OC1)CCO2 ZINC000648071701 567812766 /nfs/dbraw/zinc/81/27/66/567812766.db2.gz PKXZOATWEAVERR-UHFFFAOYSA-N 2 1 393.325 3.022 10 0 GGAEMP CCOc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccccc1Cl ZINC000013733336 570783655 /nfs/dbraw/zinc/78/36/55/570783655.db2.gz MKHOZSZKMPNDNA-UHFFFAOYSA-N 2 1 392.927 3.379 10 0 GGAEMP Cc1oc2c(c1C(=O)NCC[NH+]1CCCC1)C[N@@H+](Cc1ccc(C)cc1)CC2 ZINC000065289690 570785204 /nfs/dbraw/zinc/78/52/04/570785204.db2.gz ZGHKWLCKGGIASE-UHFFFAOYSA-N 2 1 381.520 3.280 10 0 GGAEMP Cc1oc2c(c1C(=O)NCC[NH+]1CCCC1)C[N@H+](Cc1ccc(C)cc1)CC2 ZINC000065289690 570785207 /nfs/dbraw/zinc/78/52/07/570785207.db2.gz ZGHKWLCKGGIASE-UHFFFAOYSA-N 2 1 381.520 3.280 10 0 GGAEMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(OC)cc(OC)c3)cc2)CC1 ZINC000061070073 1408073758 /nfs/dbraw/zinc/07/37/58/1408073758.db2.gz DQFJDKVZRZGZRM-UHFFFAOYSA-N 2 1 383.536 3.131 10 0 GGAEMP CCOc1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)ccc1C ZINC000077203610 1409895164 /nfs/dbraw/zinc/89/51/64/1409895164.db2.gz GPWZHRFODSMORJ-LJQANCHMSA-N 2 1 376.545 3.274 10 0 GGAEMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)Nc2cccc3nsnc32)cc1 ZINC000095462675 1410312407 /nfs/dbraw/zinc/31/24/07/1410312407.db2.gz QPIJNJRBPGSOHQ-CYBMUJFWSA-N 2 1 392.488 3.475 10 0 GGAEMP COc1ccc2nc(CCC[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)[nH]c2n1 ZINC000095996063 1410319713 /nfs/dbraw/zinc/31/97/13/1410319713.db2.gz XGHLYQCGNKZLIZ-MRXNPFEDSA-N 2 1 380.496 3.037 10 0 GGAEMP COc1ccc2nc(CCC[N@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)[nH]c2n1 ZINC000095996063 1410319721 /nfs/dbraw/zinc/31/97/21/1410319721.db2.gz XGHLYQCGNKZLIZ-MRXNPFEDSA-N 2 1 380.496 3.037 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000105451188 1411067498 /nfs/dbraw/zinc/06/74/98/1411067498.db2.gz ATXKJHLNTOGETQ-UHFFFAOYSA-N 2 1 382.552 3.024 10 0 GGAEMP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396442 1412854709 /nfs/dbraw/zinc/85/47/09/1412854709.db2.gz CCFVNXAUKOPHQS-MAUKXSAKSA-N 2 1 377.529 3.065 10 0 GGAEMP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000122309038 1414419810 /nfs/dbraw/zinc/41/98/10/1414419810.db2.gz BYTOOCDFXYFUDS-UHFFFAOYSA-N 2 1 381.564 3.424 10 0 GGAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000130703697 1416429160 /nfs/dbraw/zinc/42/91/60/1416429160.db2.gz FRMUIVODFVBGMN-AWEZNQCLSA-N 2 1 380.895 3.353 10 0 GGAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000130703697 1416429166 /nfs/dbraw/zinc/42/91/66/1416429166.db2.gz FRMUIVODFVBGMN-AWEZNQCLSA-N 2 1 380.895 3.353 10 0 GGAEMP CCN1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000131196412 1416522167 /nfs/dbraw/zinc/52/21/67/1416522167.db2.gz FQAGXFGASXKKSV-UHFFFAOYSA-N 2 1 393.579 3.109 10 0 GGAEMP COc1ccc(OC)c([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000133525256 1416898221 /nfs/dbraw/zinc/89/82/21/1416898221.db2.gz AXMIBMQGYLSUHX-JOCHJYFZSA-N 2 1 384.520 3.034 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](c3ccccc3F)C3CCCC3)cn2)CC1 ZINC000134405195 1417065273 /nfs/dbraw/zinc/06/52/73/1417065273.db2.gz CCNNMYXGLFWUMK-NRFANRHFSA-N 2 1 383.515 3.389 10 0 GGAEMP Cn1nc(-c2ccccc2)c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1Cl ZINC000136220693 1417302117 /nfs/dbraw/zinc/30/21/17/1417302117.db2.gz DXPVITUKNANGSX-UHFFFAOYSA-N 2 1 399.926 3.366 10 0 GGAEMP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc(Br)ccc2F)ccn1 ZINC000136230125 1417303200 /nfs/dbraw/zinc/30/32/00/1417303200.db2.gz AKBBCSTWBKGKLB-UHFFFAOYSA-N 2 1 382.277 3.213 10 0 GGAEMP COC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000169782604 1425255769 /nfs/dbraw/zinc/25/57/69/1425255769.db2.gz CLXQBKFNRLBOFH-LJQANCHMSA-N 2 1 388.552 3.417 10 0 GGAEMP NC(=O)c1cc[nH]c1[C@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000169789308 1425257599 /nfs/dbraw/zinc/25/75/99/1425257599.db2.gz HOFSAFXNFWZNCY-IBGZPJMESA-N 2 1 380.536 3.000 10 0 GGAEMP NC(=O)c1cc[nH]c1[C@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000169789308 1425257606 /nfs/dbraw/zinc/25/76/06/1425257606.db2.gz HOFSAFXNFWZNCY-IBGZPJMESA-N 2 1 380.536 3.000 10 0 GGAEMP Cc1ccc(N2CCC(NC(=O)NC3CC[NH+](C4CCCC4)CC3)CC2)[nH+]c1 ZINC000175806605 1427900814 /nfs/dbraw/zinc/90/08/14/1427900814.db2.gz OCEYKXJODWHLBV-UHFFFAOYSA-N 2 1 385.556 3.065 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000186309228 1431378401 /nfs/dbraw/zinc/37/84/01/1431378401.db2.gz CDHPNSATNGYRDU-QGZVFWFLSA-N 2 1 384.524 3.119 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000186309228 1431378406 /nfs/dbraw/zinc/37/84/06/1431378406.db2.gz CDHPNSATNGYRDU-QGZVFWFLSA-N 2 1 384.524 3.119 10 0 GGAEMP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2cccs2)CC1 ZINC000236727949 1433377244 /nfs/dbraw/zinc/37/72/44/1433377244.db2.gz CMMJCEUMRGWZLR-PMACEKPBSA-N 2 1 383.561 3.352 10 0 GGAEMP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c2cccs2)CC1 ZINC000236728238 1433377261 /nfs/dbraw/zinc/37/72/61/1433377261.db2.gz CMMJCEUMRGWZLR-UXHICEINSA-N 2 1 383.561 3.352 10 0 GGAEMP COc1ccc([C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237320944 1433397099 /nfs/dbraw/zinc/39/70/99/1433397099.db2.gz CEXNWWCOMMSGCJ-DHIUTWEWSA-N 2 1 393.531 3.053 10 0 GGAEMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686858 1433499395 /nfs/dbraw/zinc/49/93/95/1433499395.db2.gz JREBFTMWWGENCC-YUMYIRISSA-N 2 1 384.495 3.351 10 0 GGAEMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686846 1433499416 /nfs/dbraw/zinc/49/94/16/1433499416.db2.gz JREBFTMWWGENCC-KJJMTIBFSA-N 2 1 384.495 3.351 10 0 GGAEMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686853 1433499690 /nfs/dbraw/zinc/49/96/90/1433499690.db2.gz JREBFTMWWGENCC-LRSLUSHPSA-N 2 1 384.495 3.351 10 0 GGAEMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245744702 1433509787 /nfs/dbraw/zinc/50/97/87/1433509787.db2.gz SJSXNMRNYUJXTL-WBDAEOGXSA-N 2 1 377.532 3.430 10 0 GGAEMP CN(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245744702 1433509792 /nfs/dbraw/zinc/50/97/92/1433509792.db2.gz SJSXNMRNYUJXTL-WBDAEOGXSA-N 2 1 377.532 3.430 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@H]5[C@@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000246608828 1433639119 /nfs/dbraw/zinc/63/91/19/1433639119.db2.gz DKSYMJAITZOEGE-VYDXJSESSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H]5[C@@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000246608828 1433639124 /nfs/dbraw/zinc/63/91/24/1433639124.db2.gz DKSYMJAITZOEGE-VYDXJSESSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H]5[C@@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000246608828 1433639127 /nfs/dbraw/zinc/63/91/27/1433639127.db2.gz DKSYMJAITZOEGE-VYDXJSESSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H]5[C@@H](CCC[N@H+]5C)C4)nc(N)c23)C1 ZINC000246608828 1433639129 /nfs/dbraw/zinc/63/91/29/1433639129.db2.gz DKSYMJAITZOEGE-VYDXJSESSA-N 2 1 399.608 3.357 10 0 GGAEMP COCc1nnc([C@@H]2C[N@@H+](Cc3cccc(Cl)c3)CC23CC[NH+](C)CC3)o1 ZINC000257178312 1433893580 /nfs/dbraw/zinc/89/35/80/1433893580.db2.gz ZWSGISQQUHGSAZ-KRWDZBQOSA-N 2 1 390.915 3.181 10 0 GGAEMP O=C1[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000271433933 1434824522 /nfs/dbraw/zinc/82/45/22/1434824522.db2.gz FCWXEQYEZVYMBP-QHCPKHFHSA-N 2 1 377.532 3.084 10 0 GGAEMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000275440642 1435139546 /nfs/dbraw/zinc/13/95/46/1435139546.db2.gz FUYNPFVZAWIDRW-RCCFBDPRSA-N 2 1 392.503 3.033 10 0 GGAEMP CC[N@H+]1CCC[C@H]1CN(Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794727 207163628 /nfs/dbraw/zinc/16/36/28/207163628.db2.gz QVXCJSMTDZQFGW-QHCPKHFHSA-N 2 1 388.600 3.035 10 0 GGAEMP CCN1CCC[C@H]1C[N@@H+](Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794727 207163631 /nfs/dbraw/zinc/16/36/31/207163631.db2.gz QVXCJSMTDZQFGW-QHCPKHFHSA-N 2 1 388.600 3.035 10 0 GGAEMP CCN1CCC[C@H]1C[N@H+](Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794727 207163634 /nfs/dbraw/zinc/16/36/34/207163634.db2.gz QVXCJSMTDZQFGW-QHCPKHFHSA-N 2 1 388.600 3.035 10 0 GGAEMP CSc1ccc([C@@H]2C[C@H]3CN(C4CC[NH+](C)CC4)C(=O)[C@]34CCC[N@@H+]24)cc1 ZINC000020784854 207215591 /nfs/dbraw/zinc/21/55/91/207215591.db2.gz DSUKXLRCFJHVGR-XJABCFGWSA-N 2 1 385.577 3.241 10 0 GGAEMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC1)CC(C)C ZINC000095459633 208186030 /nfs/dbraw/zinc/18/60/30/208186030.db2.gz ILFRHZAUNRJZFD-JOCHJYFZSA-N 2 1 393.616 3.236 10 0 GGAEMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1)CC(C)C ZINC000095459633 208186037 /nfs/dbraw/zinc/18/60/37/208186037.db2.gz ILFRHZAUNRJZFD-JOCHJYFZSA-N 2 1 393.616 3.236 10 0 GGAEMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCOCC2)CC1)CC(C)C ZINC000095459633 208186043 /nfs/dbraw/zinc/18/60/43/208186043.db2.gz ILFRHZAUNRJZFD-JOCHJYFZSA-N 2 1 393.616 3.236 10 0 GGAEMP C[N@@H+](CCc1ccccn1)Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1 ZINC000095528559 208224957 /nfs/dbraw/zinc/22/49/57/208224957.db2.gz NZTSMHLXVGISIW-QHCPKHFHSA-N 2 1 397.563 3.372 10 0 GGAEMP C[N@@H+](CCc1ccccn1)Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1 ZINC000095528558 208225771 /nfs/dbraw/zinc/22/57/71/208225771.db2.gz NZTSMHLXVGISIW-HSZRJFAPSA-N 2 1 397.563 3.372 10 0 GGAEMP Cc1cnccc1C[N@@H+](C)Cc1ccc(OC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000096835296 208322695 /nfs/dbraw/zinc/32/26/95/208322695.db2.gz VXLKCGGFNCZGTP-QFIPXVFZSA-N 2 1 383.536 3.248 10 0 GGAEMP Clc1cc(I)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414831055 565962701 /nfs/dbraw/zinc/96/27/01/565962701.db2.gz PHRRAXFNJRWHKR-FUNVUKJBSA-N 2 1 376.669 3.317 10 0 GGAEMP Brc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2c1 ZINC000051907763 564566891 /nfs/dbraw/zinc/56/68/91/564566891.db2.gz IYRKJIKFGIRNIS-UHFFFAOYSA-N 2 1 377.330 3.405 10 0 GGAEMP COCCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281726 564912998 /nfs/dbraw/zinc/91/29/98/564912998.db2.gz ATBZOWFJOGVAEZ-RBUKOAKNSA-N 2 1 399.373 3.353 10 0 GGAEMP COCCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281833 564913197 /nfs/dbraw/zinc/91/31/97/564913197.db2.gz ATBZOWFJOGVAEZ-RTBURBONSA-N 2 1 399.373 3.353 10 0 GGAEMP COCCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281669 564913234 /nfs/dbraw/zinc/91/32/34/564913234.db2.gz ATBZOWFJOGVAEZ-OALUTQOASA-N 2 1 399.373 3.353 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000154565816 565045155 /nfs/dbraw/zinc/04/51/55/565045155.db2.gz YGBQNPZOQABFFG-HNNXBMFYSA-N 2 1 391.313 3.447 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000154565816 565045158 /nfs/dbraw/zinc/04/51/58/565045158.db2.gz YGBQNPZOQABFFG-HNNXBMFYSA-N 2 1 391.313 3.447 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369927544 565118974 /nfs/dbraw/zinc/11/89/74/565118974.db2.gz NDLJWDJVZDSRQI-APWZRJJASA-N 2 1 383.627 3.322 10 0 GGAEMP C[N@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859574 565185115 /nfs/dbraw/zinc/18/51/15/565185115.db2.gz HGNBHXMGGAGPOE-BBRMVZONSA-N 2 1 391.313 3.415 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720003 565426633 /nfs/dbraw/zinc/42/66/33/565426633.db2.gz UPHFFYXPJHWYCX-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720003 565426636 /nfs/dbraw/zinc/42/66/36/565426636.db2.gz UPHFFYXPJHWYCX-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720003 565426641 /nfs/dbraw/zinc/42/66/41/565426641.db2.gz UPHFFYXPJHWYCX-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP Brc1ccccc1CN1CCC([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000377780201 565498143 /nfs/dbraw/zinc/49/81/43/565498143.db2.gz LVJSYQOSTLNONS-MRXNPFEDSA-N 2 1 389.341 3.284 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000301687359 565504722 /nfs/dbraw/zinc/50/47/22/565504722.db2.gz XHUVYFQNNIASBI-IAGOWNOFSA-N 2 1 376.298 3.133 10 0 GGAEMP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715805 565507186 /nfs/dbraw/zinc/50/71/86/565507186.db2.gz JVIGMJYGRJWGDQ-HZPDHXFCSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715805 565507189 /nfs/dbraw/zinc/50/71/89/565507189.db2.gz JVIGMJYGRJWGDQ-HZPDHXFCSA-N 2 1 390.325 3.423 10 0 GGAEMP CCc1nn(C)c(Cl)c1CN1CC[C@@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190464362 565534483 /nfs/dbraw/zinc/53/44/83/565534483.db2.gz KUHLJJPOVOWBPB-AWEZNQCLSA-N 2 1 381.977 3.355 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CCC[N@@H+](CCO)CC2)c1C ZINC000174729582 565654746 /nfs/dbraw/zinc/65/47/46/565654746.db2.gz INBXKRRQDHSJMA-UHFFFAOYSA-N 2 1 378.314 3.119 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769604 565657164 /nfs/dbraw/zinc/65/71/64/565657164.db2.gz RMVFVLCDBXLXOJ-WBMJQRKESA-N 2 1 386.309 3.189 10 0 GGAEMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178777144 565936613 /nfs/dbraw/zinc/93/66/13/565936613.db2.gz NFRMSKRRZUECBQ-GOSISDBHSA-N 2 1 396.373 3.280 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000178753964 565936964 /nfs/dbraw/zinc/93/69/64/565936964.db2.gz QLBWELXQWNNGMM-QGZVFWFLSA-N 2 1 391.313 3.447 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000178753964 565936968 /nfs/dbraw/zinc/93/69/68/565936968.db2.gz QLBWELXQWNNGMM-QGZVFWFLSA-N 2 1 391.313 3.447 10 0 GGAEMP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414951658 565966413 /nfs/dbraw/zinc/96/64/13/565966413.db2.gz HWXPQGORNDFHNR-RNCFNFMXSA-N 2 1 392.135 3.308 10 0 GGAEMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC(F)F ZINC000414964978 565966750 /nfs/dbraw/zinc/96/67/50/565966750.db2.gz VEEAJVFXGWANQC-SKDRFNHKSA-N 2 1 379.245 3.147 10 0 GGAEMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060373 565971919 /nfs/dbraw/zinc/97/19/19/565971919.db2.gz WNABASSLPGKDGS-VNCLNFNDSA-N 2 1 380.374 3.186 10 0 GGAEMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCOc1cccc(I)c1 ZINC000415055277 565971942 /nfs/dbraw/zinc/97/19/42/565971942.db2.gz OARMBBADHFLBMU-CQSZACIVSA-N 2 1 376.282 3.023 10 0 GGAEMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058667 565972024 /nfs/dbraw/zinc/97/20/24/565972024.db2.gz UIKHXGISAODPSO-ODIFPOPNSA-N 2 1 398.364 3.325 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416070 565988542 /nfs/dbraw/zinc/98/85/42/565988542.db2.gz DVTMKHMTYHIZGS-YOEHRIQHSA-N 2 1 382.346 3.358 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731941 566002973 /nfs/dbraw/zinc/00/29/73/566002973.db2.gz JYKNAUJWKSNOOT-BBRMVZONSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731941 566002977 /nfs/dbraw/zinc/00/29/77/566002977.db2.gz JYKNAUJWKSNOOT-BBRMVZONSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731941 566002980 /nfs/dbraw/zinc/00/29/80/566002980.db2.gz JYKNAUJWKSNOOT-BBRMVZONSA-N 2 1 383.330 3.382 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000245953204 566011954 /nfs/dbraw/zinc/01/19/54/566011954.db2.gz PTTFGFTXXSWINK-CXAGYDPISA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000245953204 566011958 /nfs/dbraw/zinc/01/19/58/566011958.db2.gz PTTFGFTXXSWINK-CXAGYDPISA-N 2 1 391.313 3.446 10 0 GGAEMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244920 566022777 /nfs/dbraw/zinc/02/27/77/566022777.db2.gz SEFDYYQNANMIAB-LSDHHAIUSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244920 566022783 /nfs/dbraw/zinc/02/27/83/566022783.db2.gz SEFDYYQNANMIAB-LSDHHAIUSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244920 566022786 /nfs/dbraw/zinc/02/27/86/566022786.db2.gz SEFDYYQNANMIAB-LSDHHAIUSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244920 566022788 /nfs/dbraw/zinc/02/27/88/566022788.db2.gz SEFDYYQNANMIAB-LSDHHAIUSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[N@H+]1CC[C@@H](NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000246273181 566024010 /nfs/dbraw/zinc/02/40/10/566024010.db2.gz AVJNMBBBYDLCFF-SWLSCSKDSA-N 2 1 378.318 3.054 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000246412984 566028215 /nfs/dbraw/zinc/02/82/15/566028215.db2.gz BICXPHPBYFEANY-VBQJREDUSA-N 2 1 375.340 3.395 10 0 GGAEMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936810 566047129 /nfs/dbraw/zinc/04/71/29/566047129.db2.gz HJDAQPBIPPDKAB-HZPDHXFCSA-N 2 1 384.307 3.403 10 0 GGAEMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000247026112 566050254 /nfs/dbraw/zinc/05/02/54/566050254.db2.gz NFRMSKRRZUECBQ-SFHVURJKSA-N 2 1 396.373 3.280 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050562 566051087 /nfs/dbraw/zinc/05/10/87/566051087.db2.gz OHYYOFVYIVYFCS-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050562 566051096 /nfs/dbraw/zinc/05/10/96/566051096.db2.gz OHYYOFVYIVYFCS-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050562 566051102 /nfs/dbraw/zinc/05/11/02/566051102.db2.gz OHYYOFVYIVYFCS-WMLDXEAASA-N 2 1 382.346 3.440 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000247056185 566051557 /nfs/dbraw/zinc/05/15/57/566051557.db2.gz NUKTYOULGOBBEG-CXAGYDPISA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000247056185 566051562 /nfs/dbraw/zinc/05/15/62/566051562.db2.gz NUKTYOULGOBBEG-CXAGYDPISA-N 2 1 391.313 3.446 10 0 GGAEMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247475505 566061156 /nfs/dbraw/zinc/06/11/56/566061156.db2.gz JQLACCSRLXKSNR-HUUCEWRRSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000247475505 566061163 /nfs/dbraw/zinc/06/11/63/566061163.db2.gz JQLACCSRLXKSNR-HUUCEWRRSA-N 2 1 375.340 3.397 10 0 GGAEMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)s2)cs1 ZINC000261907985 566140205 /nfs/dbraw/zinc/14/02/05/566140205.db2.gz IORWCQDGHPQSBE-GVDBMIGSSA-N 2 1 377.579 3.469 10 0 GGAEMP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000261948877 566141695 /nfs/dbraw/zinc/14/16/95/566141695.db2.gz NXFWKSOYMVWTOE-KZNAEPCWSA-N 2 1 379.342 3.227 10 0 GGAEMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181720937 566161947 /nfs/dbraw/zinc/16/19/47/566161947.db2.gz WYBAZQOCXCZFGR-UONOGXRCSA-N 2 1 380.330 3.482 10 0 GGAEMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000182211037 566189784 /nfs/dbraw/zinc/18/97/84/566189784.db2.gz XMTHAOQUFIGCMD-LJQANCHMSA-N 2 1 394.401 3.484 10 0 GGAEMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCc3ccccc3Br)C2)CC1 ZINC000182211037 566189791 /nfs/dbraw/zinc/18/97/91/566189791.db2.gz XMTHAOQUFIGCMD-LJQANCHMSA-N 2 1 394.401 3.484 10 0 GGAEMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCCOCC(F)(F)F)CC2 ZINC000367251765 566193184 /nfs/dbraw/zinc/19/31/84/566193184.db2.gz ICGJTBBAWBWKRB-CQSZACIVSA-N 2 1 377.476 3.398 10 0 GGAEMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCCOCC(F)(F)F)CC2 ZINC000367251765 566193190 /nfs/dbraw/zinc/19/31/90/566193190.db2.gz ICGJTBBAWBWKRB-CQSZACIVSA-N 2 1 377.476 3.398 10 0 GGAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625024010 566267023 /nfs/dbraw/zinc/26/70/23/566267023.db2.gz HRVGJQCVJYXBSA-CQSZACIVSA-N 2 1 377.476 3.255 10 0 GGAEMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376065 566274665 /nfs/dbraw/zinc/27/46/65/566274665.db2.gz AETZMTVWUYMZAY-ZVZYQTTQSA-N 2 1 394.357 3.090 10 0 GGAEMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376065 566274670 /nfs/dbraw/zinc/27/46/70/566274670.db2.gz AETZMTVWUYMZAY-ZVZYQTTQSA-N 2 1 394.357 3.090 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397119 566276259 /nfs/dbraw/zinc/27/62/59/566276259.db2.gz MNBKHEFAOYLBGT-MAUKXSAKSA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397119 566276266 /nfs/dbraw/zinc/27/62/66/566276266.db2.gz MNBKHEFAOYLBGT-MAUKXSAKSA-N 2 1 384.351 3.416 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395587 566276794 /nfs/dbraw/zinc/27/67/94/566276794.db2.gz LKCNFCKQLQWJPT-GUYCJALGSA-N 2 1 398.320 3.381 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381830 566277078 /nfs/dbraw/zinc/27/70/78/566277078.db2.gz CTFLKXBYRMIMSL-WMLDXEAASA-N 2 1 380.330 3.242 10 0 GGAEMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000556237116 566277639 /nfs/dbraw/zinc/27/76/39/566277639.db2.gz SMKQTVPGAMQIQV-INIZCTEOSA-N 2 1 392.341 3.111 10 0 GGAEMP Cc1[nH+]ccn1CCC[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000535668729 566319091 /nfs/dbraw/zinc/31/90/91/566319091.db2.gz YDZZQTGDAZOGBW-UHFFFAOYSA-N 2 1 377.330 3.162 10 0 GGAEMP Brc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577372815 566430680 /nfs/dbraw/zinc/43/06/80/566430680.db2.gz SZLYXJCGFRMWSA-SFHVURJKSA-N 2 1 389.341 3.432 10 0 GGAEMP Brc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577372815 566430684 /nfs/dbraw/zinc/43/06/84/566430684.db2.gz SZLYXJCGFRMWSA-SFHVURJKSA-N 2 1 389.341 3.432 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000577638099 566452348 /nfs/dbraw/zinc/45/23/48/566452348.db2.gz IGUICWIYFPZAEX-TWKWOARYSA-N 2 1 381.358 3.063 10 0 GGAEMP CC[C@H]([NH2+][C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873117 566462455 /nfs/dbraw/zinc/46/24/55/566462455.db2.gz KBAXIXRBQDHFHK-QEJZJMRPSA-N 2 1 376.854 3.453 10 0 GGAEMP C[C@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000422902197 566465535 /nfs/dbraw/zinc/46/55/35/566465535.db2.gz UADYYMBPFWEIBF-KBPBESRZSA-N 2 1 375.314 3.434 10 0 GGAEMP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422941501 566466605 /nfs/dbraw/zinc/46/66/05/566466605.db2.gz JIVYPNYJTBXJBG-KGLIPLIRSA-N 2 1 375.314 3.434 10 0 GGAEMP FC(F)(F)c1cc(Br)ccc1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423020661 566469602 /nfs/dbraw/zinc/46/96/02/566469602.db2.gz CMWHWLLVDVIQRX-HUUCEWRRSA-N 2 1 393.247 3.325 10 0 GGAEMP CCO[C@@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C[NH3+] ZINC000650714467 566471442 /nfs/dbraw/zinc/47/14/42/566471442.db2.gz GVZBCEXKBNOYMW-CZUORRHYSA-N 2 1 396.354 3.368 10 0 GGAEMP CCO[C@@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@H]1C[NH3+] ZINC000650714467 566471451 /nfs/dbraw/zinc/47/14/51/566471451.db2.gz GVZBCEXKBNOYMW-CZUORRHYSA-N 2 1 396.354 3.368 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707265 566471626 /nfs/dbraw/zinc/47/16/26/566471626.db2.gz BXOJEPJTXTVDSR-FDQGKXFDSA-N 2 1 383.330 3.176 10 0 GGAEMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423149042 566479254 /nfs/dbraw/zinc/47/92/54/566479254.db2.gz AESRZJSPQTZSNG-KGLIPLIRSA-N 2 1 378.314 3.067 10 0 GGAEMP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423161645 566480889 /nfs/dbraw/zinc/48/08/89/566480889.db2.gz NYBKYQCQIMTFQJ-DZGCQCFKSA-N 2 1 378.314 3.067 10 0 GGAEMP Brc1ccc(-c2c[nH]c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000578070502 566489468 /nfs/dbraw/zinc/48/94/68/566489468.db2.gz VSDWMDJPUOPJFY-GASCZTMLSA-N 2 1 375.314 3.271 10 0 GGAEMP COc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Br)c1 ZINC000423506394 566489900 /nfs/dbraw/zinc/48/99/00/566489900.db2.gz IQNLSZSVRXWSCB-FHERZECASA-N 2 1 396.373 3.325 10 0 GGAEMP Brc1ccc2c(c1)CC[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)C2 ZINC000423499454 566489966 /nfs/dbraw/zinc/48/99/66/566489966.db2.gz AYFNAKBBKZYJTB-IOJLRTSASA-N 2 1 392.385 3.112 10 0 GGAEMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423505210 566490200 /nfs/dbraw/zinc/49/02/00/566490200.db2.gz GRRVTZPHOUJHKS-TVPLGVNVSA-N 2 1 378.358 3.242 10 0 GGAEMP COc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000423500492 566491389 /nfs/dbraw/zinc/49/13/89/566491389.db2.gz CBRBHZUOBHRVAH-OOHWJJMZSA-N 2 1 396.373 3.325 10 0 GGAEMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423509510 566491407 /nfs/dbraw/zinc/49/14/07/566491407.db2.gz MMAODAMGKHZUPJ-RWBZWWBESA-N 2 1 398.364 3.325 10 0 GGAEMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423517253 566492864 /nfs/dbraw/zinc/49/28/64/566492864.db2.gz XPYLBMSYCHXYQL-PIMMBPRGSA-N 2 1 384.387 3.304 10 0 GGAEMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Br)ccc1F ZINC000423525741 566493084 /nfs/dbraw/zinc/49/30/84/566493084.db2.gz YNVOTPYZXIMWBM-IUDNXUCKSA-N 2 1 384.337 3.455 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449150495 566533477 /nfs/dbraw/zinc/53/34/77/566533477.db2.gz RLGROFQLSZKZLJ-GUYCJALGSA-N 2 1 385.321 3.402 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000513133282 566582633 /nfs/dbraw/zinc/58/26/33/566582633.db2.gz GCSVLJGVQZNJCV-GOSISDBHSA-N 2 1 394.313 3.412 10 0 GGAEMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969843 566602043 /nfs/dbraw/zinc/60/20/43/566602043.db2.gz ZNEPRKYFVZPFQN-CZUORRHYSA-N 2 1 390.380 3.150 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2Br)C1 ZINC000652364015 566604713 /nfs/dbraw/zinc/60/47/13/566604713.db2.gz VCNHZXABEWIWIE-UWWQBHOKSA-N 2 1 383.330 3.189 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2Br)C1 ZINC000652364014 566605157 /nfs/dbraw/zinc/60/51/57/566605157.db2.gz VCNHZXABEWIWIE-QGPMSJSTSA-N 2 1 383.330 3.189 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000513661372 566615846 /nfs/dbraw/zinc/61/58/46/566615846.db2.gz OMBJYUJNAQYMTG-FVQBIDKESA-N 2 1 383.330 3.429 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000513661372 566615853 /nfs/dbraw/zinc/61/58/53/566615853.db2.gz OMBJYUJNAQYMTG-FVQBIDKESA-N 2 1 383.330 3.429 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000513713697 566619216 /nfs/dbraw/zinc/61/92/16/566619216.db2.gz RWONHAOKMPEPNJ-VNQPRFMTSA-N 2 1 381.314 3.183 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000513713696 566619764 /nfs/dbraw/zinc/61/97/64/566619764.db2.gz RWONHAOKMPEPNJ-KBMXLJTQSA-N 2 1 381.314 3.183 10 0 GGAEMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708564 566619993 /nfs/dbraw/zinc/61/99/93/566619993.db2.gz TZJUHBAEWKMBNP-NUEKZKHPSA-N 2 1 383.330 3.429 10 0 GGAEMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300120 566641892 /nfs/dbraw/zinc/64/18/92/566641892.db2.gz YYTWWNIFZRWQII-AEFFLSMTSA-N 2 1 394.357 3.077 10 0 GGAEMP Brc1ccc(S[C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547206 566664272 /nfs/dbraw/zinc/66/42/72/566664272.db2.gz FIZXSXSBCFUQOB-GOEBONIOSA-N 2 1 383.355 3.137 10 0 GGAEMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629542775 566664576 /nfs/dbraw/zinc/66/45/76/566664576.db2.gz LNDAMKYMDMDWCW-PBHICJAKSA-N 2 1 394.357 3.092 10 0 GGAEMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000629654382 566677252 /nfs/dbraw/zinc/67/72/52/566677252.db2.gz QGWLSTOKLLRLMC-UHFFFAOYSA-N 2 1 385.224 3.016 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703706 566704355 /nfs/dbraw/zinc/70/43/55/566704355.db2.gz TYVBBHIGBDQXJD-GLJUWKHASA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703706 566704361 /nfs/dbraw/zinc/70/43/61/566704361.db2.gz TYVBBHIGBDQXJD-GLJUWKHASA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703706 566704369 /nfs/dbraw/zinc/70/43/69/566704369.db2.gz TYVBBHIGBDQXJD-GLJUWKHASA-N 2 1 375.340 3.395 10 0 GGAEMP CS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)s1 ZINC000468813569 566733340 /nfs/dbraw/zinc/73/33/40/566733340.db2.gz DGLUMVZLAKWZCL-UHFFFAOYSA-N 2 1 378.563 3.427 10 0 GGAEMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631114745 566779398 /nfs/dbraw/zinc/77/93/98/566779398.db2.gz XXANXWFVWUXFQZ-UHFFFAOYSA-N 2 1 389.769 3.003 10 0 GGAEMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000563149871 566859587 /nfs/dbraw/zinc/85/95/87/566859587.db2.gz LYSFNEGIIFCDBX-TXEJJXNPSA-N 2 1 375.822 3.229 10 0 GGAEMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)c1ccc(Br)cc1 ZINC000544175751 566947150 /nfs/dbraw/zinc/94/71/50/566947150.db2.gz DUDOXUDAFZGKOB-SFHVURJKSA-N 2 1 387.281 3.161 10 0 GGAEMP COc1cc(Br)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656782410 566950165 /nfs/dbraw/zinc/95/01/65/566950165.db2.gz GELAMZWWOLPUHW-CQSZACIVSA-N 2 1 383.330 3.375 10 0 GGAEMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507242 567032426 /nfs/dbraw/zinc/03/24/26/567032426.db2.gz ULTLRDWEPDHHLR-HZPDHXFCSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507242 567032431 /nfs/dbraw/zinc/03/24/31/567032431.db2.gz ULTLRDWEPDHHLR-HZPDHXFCSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507242 567032440 /nfs/dbraw/zinc/03/24/40/567032440.db2.gz ULTLRDWEPDHHLR-HZPDHXFCSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507242 567032445 /nfs/dbraw/zinc/03/24/45/567032445.db2.gz ULTLRDWEPDHHLR-HZPDHXFCSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507225 567033291 /nfs/dbraw/zinc/03/32/91/567033291.db2.gz ULTLRDWEPDHHLR-CVEARBPZSA-N 2 1 387.351 3.397 10 0 GGAEMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507225 567033297 /nfs/dbraw/zinc/03/32/97/567033297.db2.gz ULTLRDWEPDHHLR-CVEARBPZSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507225 567033305 /nfs/dbraw/zinc/03/33/05/567033305.db2.gz ULTLRDWEPDHHLR-CVEARBPZSA-N 2 1 387.351 3.397 10 0 GGAEMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000472507225 567033312 /nfs/dbraw/zinc/03/33/12/567033312.db2.gz ULTLRDWEPDHHLR-CVEARBPZSA-N 2 1 387.351 3.397 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)C1 ZINC000657594616 567073922 /nfs/dbraw/zinc/07/39/22/567073922.db2.gz JBLPZGYQWJOLFE-MRXNPFEDSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)C1 ZINC000657593775 567073955 /nfs/dbraw/zinc/07/39/55/567073955.db2.gz KRFPFOMOQVNPAU-IBGZPJMESA-N 2 1 375.310 3.306 10 0 GGAEMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3Br)cc2)C1 ZINC000657595726 567074513 /nfs/dbraw/zinc/07/45/13/567074513.db2.gz JOBWLMCOELPYAQ-QGZVFWFLSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3Br)cc2)C1 ZINC000657595726 567074519 /nfs/dbraw/zinc/07/45/19/567074519.db2.gz JOBWLMCOELPYAQ-QGZVFWFLSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595121 567074826 /nfs/dbraw/zinc/07/48/26/567074826.db2.gz FKTXHMXZOWLXGE-LJQANCHMSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3F)cc2)C1 ZINC000657596455 567074895 /nfs/dbraw/zinc/07/48/95/567074895.db2.gz NHQURHJYFDLQAD-KRWDZBQOSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594597 567075348 /nfs/dbraw/zinc/07/53/48/567075348.db2.gz CAEUHIXVUKBQQG-QGZVFWFLSA-N 2 1 393.300 3.445 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000453337212 567076474 /nfs/dbraw/zinc/07/64/74/567076474.db2.gz ASGAZJVNAXVXEL-PDWMJMLSSA-N 2 1 399.348 3.202 10 0 GGAEMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000565775030 567098311 /nfs/dbraw/zinc/09/83/11/567098311.db2.gz CRXLIKNSKGNOMJ-TXEJJXNPSA-N 2 1 375.822 3.229 10 0 GGAEMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000565775030 567098317 /nfs/dbraw/zinc/09/83/17/567098317.db2.gz CRXLIKNSKGNOMJ-TXEJJXNPSA-N 2 1 375.822 3.229 10 0 GGAEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140621 567124410 /nfs/dbraw/zinc/12/44/10/567124410.db2.gz VNODHFDKAYLBER-KUHUBIRLSA-N 2 1 390.325 3.262 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])Cc2ccccc2)cc1Br ZINC000566101376 567126284 /nfs/dbraw/zinc/12/62/84/567126284.db2.gz LLQHRARCKHTYPJ-KRWDZBQOSA-N 2 1 376.298 3.019 10 0 GGAEMP C[NH+](C)CC[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)C(C)(C)C ZINC000659293676 567202585 /nfs/dbraw/zinc/20/25/85/567202585.db2.gz XWHBTLLETLCRAQ-GFCCVEGCSA-N 2 1 388.375 3.210 10 0 GGAEMP CN1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638838391 567274817 /nfs/dbraw/zinc/27/48/17/567274817.db2.gz HVKLIPRAHZADJM-RBUKOAKNSA-N 2 1 378.358 3.436 10 0 GGAEMP COc1cc(Br)ccc1CN(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000685457720 567275092 /nfs/dbraw/zinc/27/50/92/567275092.db2.gz KQTLHRZEWMQKEE-GOSISDBHSA-N 2 1 396.373 3.058 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457720 567275099 /nfs/dbraw/zinc/27/50/99/567275099.db2.gz KQTLHRZEWMQKEE-GOSISDBHSA-N 2 1 396.373 3.058 10 0 GGAEMP COc1cc(Br)ccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457720 567275105 /nfs/dbraw/zinc/27/51/05/567275105.db2.gz KQTLHRZEWMQKEE-GOSISDBHSA-N 2 1 396.373 3.058 10 0 GGAEMP Brc1cccc(-c2c[nH]c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000567871130 567286465 /nfs/dbraw/zinc/28/64/65/567286465.db2.gz RNWMURJULYMURZ-GASCZTMLSA-N 2 1 375.314 3.271 10 0 GGAEMP C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617506540 567316430 /nfs/dbraw/zinc/31/64/30/567316430.db2.gz RUHUXFZHXXTYRZ-CVEARBPZSA-N 2 1 398.389 3.016 10 0 GGAEMP C[C@H](Cc1ccc(Br)cc1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617506540 567316434 /nfs/dbraw/zinc/31/64/34/567316434.db2.gz RUHUXFZHXXTYRZ-CVEARBPZSA-N 2 1 398.389 3.016 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000617507332 567316503 /nfs/dbraw/zinc/31/65/03/567316503.db2.gz RVIPMZAVPKHZQG-LBPRGKRZSA-N 2 1 379.854 3.361 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000617507332 567316510 /nfs/dbraw/zinc/31/65/10/567316510.db2.gz RVIPMZAVPKHZQG-LBPRGKRZSA-N 2 1 379.854 3.361 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Br)cc1Cl ZINC000617504754 567317213 /nfs/dbraw/zinc/31/72/13/567317213.db2.gz IXQCOQGGCPLATO-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Br)cc1Cl ZINC000617504754 567317217 /nfs/dbraw/zinc/31/72/17/567317217.db2.gz IXQCOQGGCPLATO-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccccc1Br ZINC000617507158 567317562 /nfs/dbraw/zinc/31/75/62/567317562.db2.gz KRMSYWYCEUHNAW-HNNXBMFYSA-N 2 1 398.389 3.115 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)c1ccccc1Br ZINC000617507158 567317564 /nfs/dbraw/zinc/31/75/64/567317564.db2.gz KRMSYWYCEUHNAW-HNNXBMFYSA-N 2 1 398.389 3.115 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1Br ZINC000617506176 567317646 /nfs/dbraw/zinc/31/76/46/567317646.db2.gz DNRJAZHDOJMAKU-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Cl)cc1Br ZINC000617506176 567317653 /nfs/dbraw/zinc/31/76/53/567317653.db2.gz DNRJAZHDOJMAKU-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507712 567317683 /nfs/dbraw/zinc/31/76/83/567317683.db2.gz GUFSRIDEWBBLAZ-AWEZNQCLSA-N 2 1 384.362 3.068 10 0 GGAEMP Cc1ccc(Br)c(C)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507712 567317693 /nfs/dbraw/zinc/31/76/93/567317693.db2.gz GUFSRIDEWBBLAZ-AWEZNQCLSA-N 2 1 384.362 3.068 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000617504962 567317774 /nfs/dbraw/zinc/31/77/74/567317774.db2.gz RDLXEAGFIPVSNJ-ZDUSSCGKSA-N 2 1 382.961 3.398 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]cc1-c1ccc(Cl)s1 ZINC000617504962 567317782 /nfs/dbraw/zinc/31/77/82/567317782.db2.gz RDLXEAGFIPVSNJ-ZDUSSCGKSA-N 2 1 382.961 3.398 10 0 GGAEMP CC[C@H]1C[N@@H+](CCCOc2cccc(I)c2)CC[C@H]1[NH3+] ZINC000592427605 567338036 /nfs/dbraw/zinc/33/80/36/567338036.db2.gz HAJIJCRIPVPUOU-XJKSGUPXSA-N 2 1 388.293 3.119 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000568765019 567355222 /nfs/dbraw/zinc/35/52/22/567355222.db2.gz ZNEILYAVYUGBLM-SFHVURJKSA-N 2 1 394.313 3.183 10 0 GGAEMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)c1 ZINC000569632994 567418570 /nfs/dbraw/zinc/41/85/70/567418570.db2.gz XJQJSNDCVRLGPT-HNNXBMFYSA-N 2 1 392.341 3.241 10 0 GGAEMP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255202 567422038 /nfs/dbraw/zinc/42/20/38/567422038.db2.gz BCPVBNADHVJMPG-GOEBONIOSA-N 2 1 381.314 3.116 10 0 GGAEMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000662258907 567422105 /nfs/dbraw/zinc/42/21/05/567422105.db2.gz XXIYKWCYTAVHLB-ZFWWWQNUSA-N 2 1 383.355 3.439 10 0 GGAEMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000662295286 567425381 /nfs/dbraw/zinc/42/53/81/567425381.db2.gz PBPKLMJGATVKDT-CQSZACIVSA-N 2 1 398.320 3.238 10 0 GGAEMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000662295286 567425385 /nfs/dbraw/zinc/42/53/85/567425385.db2.gz PBPKLMJGATVKDT-CQSZACIVSA-N 2 1 398.320 3.238 10 0 GGAEMP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297561 567426071 /nfs/dbraw/zinc/42/60/71/567426071.db2.gz RHFPBSZPEYDBJX-INIZCTEOSA-N 2 1 394.357 3.408 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000662324037 567427157 /nfs/dbraw/zinc/42/71/57/567427157.db2.gz WNDVPMLFXFSVPG-CQSZACIVSA-N 2 1 388.339 3.365 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000662324037 567427161 /nfs/dbraw/zinc/42/71/61/567427161.db2.gz WNDVPMLFXFSVPG-CQSZACIVSA-N 2 1 388.339 3.365 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000662324036 567427773 /nfs/dbraw/zinc/42/77/73/567427773.db2.gz WNDVPMLFXFSVPG-AWEZNQCLSA-N 2 1 388.339 3.365 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CCO1 ZINC000662324036 567427777 /nfs/dbraw/zinc/42/77/77/567427777.db2.gz WNDVPMLFXFSVPG-AWEZNQCLSA-N 2 1 388.339 3.365 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000662442293 567436673 /nfs/dbraw/zinc/43/66/73/567436673.db2.gz ZUGPBEGWUKXMKX-LBPRGKRZSA-N 2 1 398.370 3.204 10 0 GGAEMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662450227 567437956 /nfs/dbraw/zinc/43/79/56/567437956.db2.gz LFXDIWBJZOBTOY-PHIMTYICSA-N 2 1 386.359 3.107 10 0 GGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662450227 567437960 /nfs/dbraw/zinc/43/79/60/567437960.db2.gz LFXDIWBJZOBTOY-PHIMTYICSA-N 2 1 386.359 3.107 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662477409 567439732 /nfs/dbraw/zinc/43/97/32/567439732.db2.gz DGWLDJPGGHNZGN-GFCCVEGCSA-N 2 1 398.370 3.062 10 0 GGAEMP CC(C)[NH+](CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2)C(C)C ZINC000662487596 567441245 /nfs/dbraw/zinc/44/12/45/567441245.db2.gz YXBNKMKRGKJKFY-UHFFFAOYSA-N 2 1 388.375 3.353 10 0 GGAEMP C[NH2+][C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588426 567450666 /nfs/dbraw/zinc/45/06/66/567450666.db2.gz BSDFTEZSVQIRHM-RDTXWAMCSA-N 2 1 384.351 3.492 10 0 GGAEMP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662668361 567455230 /nfs/dbraw/zinc/45/52/30/567455230.db2.gz LHUMUQVTOCHCLD-LLVKDONJSA-N 2 1 398.370 3.251 10 0 GGAEMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662668361 567455234 /nfs/dbraw/zinc/45/52/34/567455234.db2.gz LHUMUQVTOCHCLD-LLVKDONJSA-N 2 1 398.370 3.251 10 0 GGAEMP Cc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000641773103 567455460 /nfs/dbraw/zinc/45/54/60/567455460.db2.gz DXRYRJSTJVRCLY-HNNXBMFYSA-N 2 1 396.373 3.351 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000550890857 567467403 /nfs/dbraw/zinc/46/74/03/567467403.db2.gz IUIBUHSGYXENFS-HZPDHXFCSA-N 2 1 384.362 3.101 10 0 GGAEMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000550890855 567468124 /nfs/dbraw/zinc/46/81/24/567468124.db2.gz IUIBUHSGYXENFS-CVEARBPZSA-N 2 1 384.362 3.101 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000570553178 567495454 /nfs/dbraw/zinc/49/54/54/567495454.db2.gz ARUMOWKNSHGURA-BVBHFADKSA-N 2 1 381.358 3.063 10 0 GGAEMP Cc1cc(Br)cn2cc(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)nc12 ZINC000504941801 567552984 /nfs/dbraw/zinc/55/29/84/567552984.db2.gz GMZSRCCUQJJJBP-INIZCTEOSA-N 2 1 393.329 3.286 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552049117 567553469 /nfs/dbraw/zinc/55/34/69/567553469.db2.gz LTQSQZPIEKZSAM-SQNIBIBYSA-N 2 1 394.357 3.031 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552064019 567555294 /nfs/dbraw/zinc/55/52/94/567555294.db2.gz UYZQFRDBYPYOLV-YSHGAJCASA-N 2 1 378.358 3.490 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3ccnc4c(Br)ccc(F)c34)CC2)C1 ZINC000664599165 567577121 /nfs/dbraw/zinc/57/71/21/567577121.db2.gz YKZAVRQCNUIUPV-ZDUSSCGKSA-N 2 1 394.288 3.172 10 0 GGAEMP COc1ccc(Br)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238784 567586599 /nfs/dbraw/zinc/58/65/99/567586599.db2.gz CENINYPRFUJOQS-KRWDZBQOSA-N 2 1 383.330 3.048 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247958 567587478 /nfs/dbraw/zinc/58/74/78/567587478.db2.gz FIUNOVVECJTTAB-KRWDZBQOSA-N 2 1 383.330 3.048 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247959 567587880 /nfs/dbraw/zinc/58/78/80/567587880.db2.gz FIUNOVVECJTTAB-QGZVFWFLSA-N 2 1 383.330 3.048 10 0 GGAEMP CC[C@H](c1ccc(Br)cc1)N1CCN(CCc2cncn2C)CC1 ZINC000459344872 567616968 /nfs/dbraw/zinc/61/69/68/567616968.db2.gz VFGUJLZQAXMANA-LJQANCHMSA-N 2 1 391.357 3.494 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000665636782 567631748 /nfs/dbraw/zinc/63/17/48/567631748.db2.gz JPMVNHLVXCHJGD-AWEZNQCLSA-N 2 1 389.371 3.407 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Cl)c(Cl)c1 ZINC000665636782 567631750 /nfs/dbraw/zinc/63/17/50/567631750.db2.gz JPMVNHLVXCHJGD-AWEZNQCLSA-N 2 1 389.371 3.407 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701207 567641378 /nfs/dbraw/zinc/64/13/78/567641378.db2.gz IKVKTLNUSODBHI-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701207 567641383 /nfs/dbraw/zinc/64/13/83/567641383.db2.gz IKVKTLNUSODBHI-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@@H](C)C1 ZINC000440701207 567641385 /nfs/dbraw/zinc/64/13/85/567641385.db2.gz IKVKTLNUSODBHI-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP C[C@@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705951 567674458 /nfs/dbraw/zinc/67/44/58/567674458.db2.gz DZBFKBPPKHUTOO-TZMCWYRMSA-N 2 1 388.375 3.104 10 0 GGAEMP C[C@@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705951 567674459 /nfs/dbraw/zinc/67/44/59/567674459.db2.gz DZBFKBPPKHUTOO-TZMCWYRMSA-N 2 1 388.375 3.104 10 0 GGAEMP C[N@H+]1CC[C@@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351283 567702866 /nfs/dbraw/zinc/70/28/66/567702866.db2.gz KLQFTCGDWWFRKJ-LLVKDONJSA-N 2 1 375.826 3.364 10 0 GGAEMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871380 567714093 /nfs/dbraw/zinc/71/40/93/567714093.db2.gz FWBOETMFEUNVCQ-CQSZACIVSA-N 2 1 386.353 3.135 10 0 GGAEMP Cc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541630 567720321 /nfs/dbraw/zinc/72/03/21/567720321.db2.gz RCLGUWASVPMXIN-IRXDYDNUSA-N 2 1 383.374 3.371 10 0 GGAEMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541900 567720576 /nfs/dbraw/zinc/72/05/76/567720576.db2.gz CPXHZEQFBCBFMA-RDJZCZTQSA-N 2 1 383.374 3.371 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542337 567721008 /nfs/dbraw/zinc/72/10/08/567721008.db2.gz WKHYSAZGQSOVJL-CABCVRRESA-N 2 1 387.337 3.202 10 0 GGAEMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542230 567721034 /nfs/dbraw/zinc/72/10/34/567721034.db2.gz SCSNILHNECWLNA-YOEHRIQHSA-N 2 1 399.373 3.071 10 0 GGAEMP COc1ccc(C[C@@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541405 567721049 /nfs/dbraw/zinc/72/10/49/567721049.db2.gz HYXJNBMQWVENKH-CVEARBPZSA-N 2 1 399.373 3.071 10 0 GGAEMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542227 567721069 /nfs/dbraw/zinc/72/10/69/567721069.db2.gz SCSNILHNECWLNA-PBHICJAKSA-N 2 1 399.373 3.071 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(CNCc3ccsc3Br)cc2)C1 ZINC000623564204 567722473 /nfs/dbraw/zinc/72/24/73/567722473.db2.gz VRUXSWCKEGEKLS-INIZCTEOSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccsc3Br)cc2)C1 ZINC000623564204 567722480 /nfs/dbraw/zinc/72/24/80/567722480.db2.gz VRUXSWCKEGEKLS-INIZCTEOSA-N 2 1 381.339 3.367 10 0 GGAEMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000623894023 567745673 /nfs/dbraw/zinc/74/56/73/567745673.db2.gz HCFAHDZFBILTQS-GFCCVEGCSA-N 2 1 379.854 3.385 10 0 GGAEMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000623894024 567745679 /nfs/dbraw/zinc/74/56/79/567745679.db2.gz HCFAHDZFBILTQS-LBPRGKRZSA-N 2 1 379.854 3.385 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901618 567805513 /nfs/dbraw/zinc/80/55/13/567805513.db2.gz RPERTQDCSYWEQN-ZBFHGGJFSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902025 567806184 /nfs/dbraw/zinc/80/61/84/567806184.db2.gz YUGZVIJDBMKWKX-CZUORRHYSA-N 2 1 398.320 3.381 10 0 GGAEMP Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000444712312 567811476 /nfs/dbraw/zinc/81/14/76/567811476.db2.gz YUBGOLISWUUXBN-UHFFFAOYSA-N 2 1 396.373 3.178 10 0 GGAEMP Cc1cc(Br)ccc1C[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000444712312 567811481 /nfs/dbraw/zinc/81/14/81/567811481.db2.gz YUBGOLISWUUXBN-UHFFFAOYSA-N 2 1 396.373 3.178 10 0 GGAEMP CCOc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000006085782 570240383 /nfs/dbraw/zinc/24/03/83/570240383.db2.gz FFZPOJBEZXPEIS-NRFANRHFSA-N 2 1 384.520 3.079 10 0 GGAEMP CCN(CC(=O)NCc1ccccc1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305033 570515467 /nfs/dbraw/zinc/51/54/67/570515467.db2.gz VAOCFFBPLOCPMN-QFIPXVFZSA-N 2 1 379.548 3.455 10 0 GGAEMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252495563 570975294 /nfs/dbraw/zinc/97/52/94/570975294.db2.gz OTRIQIZUEWQZBC-FQEVSTJZSA-N 2 1 399.583 3.133 10 0 GGAEMP Cc1ccc([C@H](CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)[NH+](C)C)cc1 ZINC000065467329 1408673060 /nfs/dbraw/zinc/67/30/60/1408673060.db2.gz CLESMZCOLFAMRZ-QFIPXVFZSA-N 2 1 380.536 3.125 10 0 GGAEMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120760 1409013178 /nfs/dbraw/zinc/01/31/78/1409013178.db2.gz HLJWWXUGGCPELQ-SFHVURJKSA-N 2 1 381.520 3.215 10 0 GGAEMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067120848 1409013413 /nfs/dbraw/zinc/01/34/13/1409013413.db2.gz DVTYRSDOXYPNAP-SFHVURJKSA-N 2 1 381.520 3.215 10 0 GGAEMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)CC1 ZINC000069785260 1409698148 /nfs/dbraw/zinc/69/81/48/1409698148.db2.gz FZRPDUFBNIUABW-UHFFFAOYSA-N 2 1 388.353 3.486 10 0 GGAEMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccccc3N3CCOCC3)CC2)oc1C ZINC000111412153 1411945170 /nfs/dbraw/zinc/94/51/70/1411945170.db2.gz CHTQREHLKJNPQR-UHFFFAOYSA-N 2 1 398.551 3.130 10 0 GGAEMP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396434 1412854567 /nfs/dbraw/zinc/85/45/67/1412854567.db2.gz CCFVNXAUKOPHQS-QAPCUYQASA-N 2 1 377.529 3.065 10 0 GGAEMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000128284958 1415954998 /nfs/dbraw/zinc/95/49/98/1415954998.db2.gz STNUIPXGIPHKOI-HNNXBMFYSA-N 2 1 397.445 3.307 10 0 GGAEMP CCOc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1OC(F)F ZINC000130388795 1416369548 /nfs/dbraw/zinc/36/95/48/1416369548.db2.gz IALNHQOLYZPAHM-MRXNPFEDSA-N 2 1 384.467 3.277 10 0 GGAEMP COc1cc(OC)cc([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000130918710 1416480917 /nfs/dbraw/zinc/48/09/17/1416480917.db2.gz HMTWEESFYVEYEW-QHCPKHFHSA-N 2 1 384.520 3.034 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000133596964 1416915231 /nfs/dbraw/zinc/91/52/31/1416915231.db2.gz BKZGAEFKBMDEPJ-HSZRJFAPSA-N 2 1 387.531 3.302 10 0 GGAEMP C[C@@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1c(Cl)cccc1Cl ZINC000134267803 1417046885 /nfs/dbraw/zinc/04/68/85/1417046885.db2.gz FEHDJCXSHJSTLD-AWEZNQCLSA-N 2 1 394.350 3.429 10 0 GGAEMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1OCC ZINC000136572989 1417327202 /nfs/dbraw/zinc/32/72/02/1417327202.db2.gz BFNKIVJIPNDLGX-UXHICEINSA-N 2 1 376.541 3.342 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000136567420 1417327281 /nfs/dbraw/zinc/32/72/81/1417327281.db2.gz DOFNIKQERUSHER-IRXDYDNUSA-N 2 1 384.467 3.154 10 0 GGAEMP COC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782609 1425255821 /nfs/dbraw/zinc/25/58/21/1425255821.db2.gz IZVZFMVGMHRTPQ-IBGZPJMESA-N 2 1 388.552 3.417 10 0 GGAEMP COC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccc(OC)c(OC)c1)CC2 ZINC000169782610 1425255906 /nfs/dbraw/zinc/25/59/06/1425255906.db2.gz IZVZFMVGMHRTPQ-LJQANCHMSA-N 2 1 388.552 3.417 10 0 GGAEMP O=S1(=O)CCCN1c1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000184959348 1431030800 /nfs/dbraw/zinc/03/08/00/1431030800.db2.gz GQWVGXIKSMTYAC-UHFFFAOYSA-N 2 1 391.581 3.113 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000186259692 1431364873 /nfs/dbraw/zinc/36/48/73/1431364873.db2.gz AOXSSOWJHIGEKH-QGZVFWFLSA-N 2 1 376.545 3.073 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000186259692 1431364878 /nfs/dbraw/zinc/36/48/78/1431364878.db2.gz AOXSSOWJHIGEKH-QGZVFWFLSA-N 2 1 376.545 3.073 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245808888 1433520588 /nfs/dbraw/zinc/52/05/88/1433520588.db2.gz BXASEDOWLBMWTF-OTWHNJEPSA-N 2 1 380.536 3.431 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245808888 1433520597 /nfs/dbraw/zinc/52/05/97/1433520597.db2.gz BXASEDOWLBMWTF-OTWHNJEPSA-N 2 1 380.536 3.431 10 0 GGAEMP CN(C(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)[C@@H]1CCCc2ccccc21 ZINC000246126486 1433572004 /nfs/dbraw/zinc/57/20/04/1433572004.db2.gz LVLBREYSOIIBJK-GHTZIAJQSA-N 2 1 378.520 3.351 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@H]5[C@@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000246608812 1433638974 /nfs/dbraw/zinc/63/89/74/1433638974.db2.gz DKSYMJAITZOEGE-HLLBOEOZSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H]5[C@@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000246608812 1433638977 /nfs/dbraw/zinc/63/89/77/1433638977.db2.gz DKSYMJAITZOEGE-HLLBOEOZSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H]5[C@@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000246608812 1433638979 /nfs/dbraw/zinc/63/89/79/1433638979.db2.gz DKSYMJAITZOEGE-HLLBOEOZSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H]5[C@@H](CCC[N@H+]5C)C4)nc(N)c23)C1 ZINC000246608812 1433638983 /nfs/dbraw/zinc/63/89/83/1433638983.db2.gz DKSYMJAITZOEGE-HLLBOEOZSA-N 2 1 399.608 3.357 10 0 GGAEMP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)C(C)C)cc1 ZINC000246924239 1433687794 /nfs/dbraw/zinc/68/77/94/1433687794.db2.gz BSDURJYCWWXUGE-UCNVEGJOSA-N 2 1 384.524 3.288 10 0 GGAEMP C[NH+]1CCC([NH+]2CCC(CN(Cc3ccncc3)C(=O)C3CCCC3)CC2)CC1 ZINC000015071343 210147620 /nfs/dbraw/zinc/14/76/20/210147620.db2.gz RCRYOPJPFPIEJW-UHFFFAOYSA-N 2 1 398.595 3.407 10 0 GGAEMP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[C@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000014951654 210131820 /nfs/dbraw/zinc/13/18/20/210131820.db2.gz NOFUZLQHRIZOSM-HSZRJFAPSA-N 2 1 385.552 3.216 10 0 GGAEMP OCC[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1 ZINC000013732876 210086700 /nfs/dbraw/zinc/08/67/00/210086700.db2.gz HVWJPXMMTXRYSJ-UHFFFAOYSA-N 2 1 393.325 3.090 10 0 GGAEMP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000328628817 209147746 /nfs/dbraw/zinc/14/77/46/209147746.db2.gz HOTSFBUUKATIFD-IRLDBZIGSA-N 2 1 381.524 3.317 10 0 GGAEMP C[N@H+]1C[C@H]2C3(CC[C@@]2(C(=O)N2CCCC2)C1)CC[NH+](Cc1ccc(F)cc1)CC3 ZINC000096062588 211298514 /nfs/dbraw/zinc/29/85/14/211298514.db2.gz SZWFYYVVAOSJCN-XUZZJYLKSA-N 2 1 399.554 3.372 10 0 GGAEMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cc(Cl)cc4c3OCOC4)CC2)CC1 ZINC000096014167 211294437 /nfs/dbraw/zinc/29/44/37/211294437.db2.gz GUVSHBLLSBFAKL-UHFFFAOYSA-N 2 1 393.959 3.056 10 0 GGAEMP CC(C)[C@@H](NC(=O)C[N@@H+](C)C(C)C)c1ccccc1NC(=O)C[NH+](C)C(C)C ZINC000095976322 211290643 /nfs/dbraw/zinc/29/06/43/211290643.db2.gz OQDUVTYCJXGWNF-JOCHJYFZSA-N 2 1 390.572 3.119 10 0 GGAEMP CC(C)[C@@H](NC(=O)C[NH+](C)C(C)C)c1ccccc1NC(=O)C[N@H+](C)C(C)C ZINC000095976322 211290645 /nfs/dbraw/zinc/29/06/45/211290645.db2.gz OQDUVTYCJXGWNF-JOCHJYFZSA-N 2 1 390.572 3.119 10 0 GGAEMP CC(C)[C@@H](NC(=O)C[NH+](C)C(C)C)c1ccccc1NC(=O)C[N@@H+](C)C(C)C ZINC000095976322 211290647 /nfs/dbraw/zinc/29/06/47/211290647.db2.gz OQDUVTYCJXGWNF-JOCHJYFZSA-N 2 1 390.572 3.119 10 0 GGAEMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452456 211242146 /nfs/dbraw/zinc/24/21/46/211242146.db2.gz BXXRRMJKRKGQLS-VQTJNVASSA-N 2 1 389.584 3.323 10 0 GGAEMP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@@H]2CCO)CC1 ZINC000020993387 210372429 /nfs/dbraw/zinc/37/24/29/210372429.db2.gz QUNSGWRZDUBGKM-VWLOTQADSA-N 2 1 393.575 3.316 10 0 GGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@@H+]1C ZINC000119896385 564294100 /nfs/dbraw/zinc/29/41/00/564294100.db2.gz KKCHEACLVOVWMT-KWCYVHTRSA-N 2 1 376.854 3.405 10 0 GGAEMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@H+]1C ZINC000119896385 564294105 /nfs/dbraw/zinc/29/41/05/564294105.db2.gz KKCHEACLVOVWMT-KWCYVHTRSA-N 2 1 376.854 3.405 10 0 GGAEMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000076004033 564862687 /nfs/dbraw/zinc/86/26/87/564862687.db2.gz JQLACCSRLXKSNR-GJZGRUSLSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000076004033 564862691 /nfs/dbraw/zinc/86/26/91/564862691.db2.gz JQLACCSRLXKSNR-GJZGRUSLSA-N 2 1 375.340 3.397 10 0 GGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC1 ZINC000106125969 564979312 /nfs/dbraw/zinc/97/93/12/564979312.db2.gz LPRPUXBSVFBBBU-CQSZACIVSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000369927547 565118474 /nfs/dbraw/zinc/11/84/74/565118474.db2.gz NDLJWDJVZDSRQI-QFBILLFUSA-N 2 1 383.627 3.322 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000369927546 565118610 /nfs/dbraw/zinc/11/86/10/565118610.db2.gz NDLJWDJVZDSRQI-LPHOPBHVSA-N 2 1 383.627 3.322 10 0 GGAEMP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000270932575 565233302 /nfs/dbraw/zinc/23/33/02/565233302.db2.gz QHOLZJUTOHTSQU-UHFFFAOYSA-N 2 1 380.374 3.440 10 0 GGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170941874 565399483 /nfs/dbraw/zinc/39/94/83/565399483.db2.gz QIIMWCQASHHQAJ-CYBMUJFWSA-N 2 1 376.875 3.466 10 0 GGAEMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275420679 565409100 /nfs/dbraw/zinc/40/91/00/565409100.db2.gz DPSZDXQCQKYBCS-KBPBESRZSA-N 2 1 391.313 3.215 10 0 GGAEMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275420689 565409323 /nfs/dbraw/zinc/40/93/23/565409323.db2.gz DPSZDXQCQKYBCS-ZIAGYGMSSA-N 2 1 391.313 3.215 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298720000 565426253 /nfs/dbraw/zinc/42/62/53/565426253.db2.gz UPHFFYXPJHWYCX-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298720000 565426257 /nfs/dbraw/zinc/42/62/57/565426257.db2.gz UPHFFYXPJHWYCX-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298720000 565426262 /nfs/dbraw/zinc/42/62/62/565426262.db2.gz UPHFFYXPJHWYCX-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715806 565506848 /nfs/dbraw/zinc/50/68/48/565506848.db2.gz JVIGMJYGRJWGDQ-JKSUJKDBSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715806 565506854 /nfs/dbraw/zinc/50/68/54/565506854.db2.gz JVIGMJYGRJWGDQ-JKSUJKDBSA-N 2 1 390.325 3.423 10 0 GGAEMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000278397136 565555451 /nfs/dbraw/zinc/55/54/51/565555451.db2.gz NGZAJQNCYRILFC-UHFFFAOYSA-N 2 1 377.330 3.458 10 0 GGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693944 565621530 /nfs/dbraw/zinc/62/15/30/565621530.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693944 565621536 /nfs/dbraw/zinc/62/15/36/565621536.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693944 565621541 /nfs/dbraw/zinc/62/15/41/565621541.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000191693944 565621547 /nfs/dbraw/zinc/62/15/47/565621547.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693944 565621549 /nfs/dbraw/zinc/62/15/49/565621549.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693944 565621553 /nfs/dbraw/zinc/62/15/53/565621553.db2.gz BMWSIHLWECTPML-YJBOKZPZSA-N 2 1 396.373 3.200 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775460 565657496 /nfs/dbraw/zinc/65/74/96/565657496.db2.gz KYPCJCNBTGHVNO-RHSMWYFYSA-N 2 1 382.346 3.358 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2Br)[C@H](C)C1 ZINC000174775450 565657749 /nfs/dbraw/zinc/65/77/49/565657749.db2.gz KYPCJCNBTGHVNO-PBHICJAKSA-N 2 1 382.346 3.358 10 0 GGAEMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cccc(Br)c3C2)CC1 ZINC000192743000 565707834 /nfs/dbraw/zinc/70/78/34/565707834.db2.gz MHPGAHHBKBPNLE-UHFFFAOYSA-N 2 1 380.374 3.223 10 0 GGAEMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(Br)cc1F ZINC000411866544 565759239 /nfs/dbraw/zinc/75/92/39/565759239.db2.gz HZVAFCHTVDPSID-UHFFFAOYSA-N 2 1 386.309 3.381 10 0 GGAEMP C[NH+](C)C1CC[NH+](CCCOc2cccc(I)c2)CC1 ZINC000193840920 565778477 /nfs/dbraw/zinc/77/84/77/565778477.db2.gz JBPZDBWXBIQTLW-UHFFFAOYSA-N 2 1 388.293 3.086 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000414074313 565892137 /nfs/dbraw/zinc/89/21/37/565892137.db2.gz OALXWNVEKOFHJO-CVEARBPZSA-N 2 1 384.362 3.244 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414103863 565895491 /nfs/dbraw/zinc/89/54/91/565895491.db2.gz DYTWRTXWYMLTNK-BZUAXINKSA-N 2 1 396.373 3.242 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000414103870 565895960 /nfs/dbraw/zinc/89/59/60/565895960.db2.gz DYTWRTXWYMLTNK-OWCLPIDISA-N 2 1 396.373 3.242 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000178311029 565912388 /nfs/dbraw/zinc/91/23/88/565912388.db2.gz NUKTYOULGOBBEG-GUYCJALGSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000178311029 565912390 /nfs/dbraw/zinc/91/23/90/565912390.db2.gz NUKTYOULGOBBEG-GUYCJALGSA-N 2 1 391.313 3.446 10 0 GGAEMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1Br ZINC000414733375 565957921 /nfs/dbraw/zinc/95/79/21/565957921.db2.gz ATKJOJSSRJSULE-HOTGVXAUSA-N 2 1 396.373 3.419 10 0 GGAEMP COc1c(Br)cc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907355 565965373 /nfs/dbraw/zinc/96/53/73/565965373.db2.gz MZDWPORWVMKFRW-GFCCVEGCSA-N 2 1 392.135 3.452 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414936219 565965855 /nfs/dbraw/zinc/96/58/55/565965855.db2.gz GRDZRUPWUYKCSX-KPZWWZAWSA-N 2 1 377.330 3.339 10 0 GGAEMP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414951659 565966879 /nfs/dbraw/zinc/96/68/79/565966879.db2.gz HWXPQGORNDFHNR-TVQRCGJNSA-N 2 1 392.135 3.308 10 0 GGAEMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC(F)F ZINC000414964975 565967170 /nfs/dbraw/zinc/96/71/70/565967170.db2.gz VEEAJVFXGWANQC-CABZTGNLSA-N 2 1 379.245 3.147 10 0 GGAEMP CSc1cc(Br)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057636 565971693 /nfs/dbraw/zinc/97/16/93/565971693.db2.gz RWQXHNCIKYVCIY-UHFFFAOYSA-N 2 1 398.414 3.477 10 0 GGAEMP Clc1ccc(Br)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415053258 565972050 /nfs/dbraw/zinc/97/20/50/565972050.db2.gz MGIMVMWKWYCTHS-UHFFFAOYSA-N 2 1 386.765 3.409 10 0 GGAEMP COc1sc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1Br ZINC000179515781 565986247 /nfs/dbraw/zinc/98/62/47/565986247.db2.gz GCICOSASYXKXLU-LBPRGKRZSA-N 2 1 391.375 3.044 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2C)[C@@H](C)C1 ZINC000245416069 565988480 /nfs/dbraw/zinc/98/84/80/565988480.db2.gz DVTMKHMTYHIZGS-WMLDXEAASA-N 2 1 382.346 3.358 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245581061 565997525 /nfs/dbraw/zinc/99/75/25/565997525.db2.gz JAAIGMXCYLNFGF-MJGOQNOKSA-N 2 1 383.989 3.276 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245581061 565997530 /nfs/dbraw/zinc/99/75/30/565997530.db2.gz JAAIGMXCYLNFGF-MJGOQNOKSA-N 2 1 383.989 3.276 10 0 GGAEMP C[N@H+]1CCCC[C@@H]1CN1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614176 565998601 /nfs/dbraw/zinc/99/86/01/565998601.db2.gz CLUINTGQHDSLSZ-VQIMIIECSA-N 2 1 386.367 3.129 10 0 GGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883580 566014800 /nfs/dbraw/zinc/01/48/00/566014800.db2.gz JYKNAUJWKSNOOT-CZUORRHYSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883580 566014805 /nfs/dbraw/zinc/01/48/05/566014805.db2.gz JYKNAUJWKSNOOT-CZUORRHYSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883580 566014811 /nfs/dbraw/zinc/01/48/11/566014811.db2.gz JYKNAUJWKSNOOT-CZUORRHYSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883580 566014814 /nfs/dbraw/zinc/01/48/14/566014814.db2.gz JYKNAUJWKSNOOT-CZUORRHYSA-N 2 1 383.330 3.382 10 0 GGAEMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)c1nc(Cl)cs1 ZINC000366057342 566132561 /nfs/dbraw/zinc/13/25/61/566132561.db2.gz KNPIHFOYVJHUGS-UHFFFAOYSA-N 2 1 384.977 3.065 10 0 GGAEMP C[N@H+](Cc1ccc(Br)cc1N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261758883 566133703 /nfs/dbraw/zinc/13/37/03/566133703.db2.gz CUDJSLJTYWKKGU-JWTNVVGKSA-N 2 1 394.357 3.001 10 0 GGAEMP C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261758883 566133708 /nfs/dbraw/zinc/13/37/08/566133708.db2.gz CUDJSLJTYWKKGU-JWTNVVGKSA-N 2 1 394.357 3.001 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261878823 566138619 /nfs/dbraw/zinc/13/86/19/566138619.db2.gz FCLYGFVJDKWTKV-KURKYZTESA-N 2 1 381.358 3.473 10 0 GGAEMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)s2)cs1 ZINC000261907983 566140713 /nfs/dbraw/zinc/14/07/13/566140713.db2.gz IORWCQDGHPQSBE-BBWFWOEESA-N 2 1 377.579 3.469 10 0 GGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2ccccc2Br)CC1 ZINC000181831495 566166906 /nfs/dbraw/zinc/16/69/06/566166906.db2.gz SQNZOJZWAYRBPF-INIZCTEOSA-N 2 1 383.374 3.406 10 0 GGAEMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376057 566274140 /nfs/dbraw/zinc/27/41/40/566274140.db2.gz AETZMTVWUYMZAY-LESCRADOSA-N 2 1 394.357 3.090 10 0 GGAEMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376057 566274147 /nfs/dbraw/zinc/27/41/47/566274147.db2.gz AETZMTVWUYMZAY-LESCRADOSA-N 2 1 394.357 3.090 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397675 566275393 /nfs/dbraw/zinc/27/53/93/566275393.db2.gz MTZHEUDJBWUPTD-YOEHRIQHSA-N 2 1 380.330 3.242 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397121 566275676 /nfs/dbraw/zinc/27/56/76/566275676.db2.gz MNBKHEFAOYLBGT-YJBOKZPZSA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397121 566275682 /nfs/dbraw/zinc/27/56/82/566275682.db2.gz MNBKHEFAOYLBGT-YJBOKZPZSA-N 2 1 384.351 3.416 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395585 566275882 /nfs/dbraw/zinc/27/58/82/566275882.db2.gz LKCNFCKQLQWJPT-DYVFJYSZSA-N 2 1 398.320 3.381 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H]4CCC[C@@H]43)nc12 ZINC000556891185 566342024 /nfs/dbraw/zinc/34/20/24/566342024.db2.gz BSSJIZPRLVENRO-BRWVUGGUSA-N 2 1 377.330 3.368 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)nc12 ZINC000556891185 566342030 /nfs/dbraw/zinc/34/20/30/566342030.db2.gz BSSJIZPRLVENRO-BRWVUGGUSA-N 2 1 377.330 3.368 10 0 GGAEMP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000649646213 566382534 /nfs/dbraw/zinc/38/25/34/566382534.db2.gz XBTVRCJTANGLCW-UHFFFAOYSA-N 2 1 394.357 3.018 10 0 GGAEMP C[C@@H]([NH2+]C[C@@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000422902198 566464801 /nfs/dbraw/zinc/46/48/01/566464801.db2.gz UADYYMBPFWEIBF-KGLIPLIRSA-N 2 1 375.314 3.434 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707266 566472185 /nfs/dbraw/zinc/47/21/85/566472185.db2.gz BXOJEPJTXTVDSR-OWQGQXMQSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1sc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723070 566473094 /nfs/dbraw/zinc/47/30/94/566473094.db2.gz HBYXCBNDCDHGGT-GLQYFDAESA-N 2 1 389.359 3.380 10 0 GGAEMP COc1sc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723070 566473102 /nfs/dbraw/zinc/47/31/02/566473102.db2.gz HBYXCBNDCDHGGT-GLQYFDAESA-N 2 1 389.359 3.380 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723017 566473130 /nfs/dbraw/zinc/47/31/30/566473130.db2.gz GHPRSYSNNNDSDP-KZNAEPCWSA-N 2 1 395.341 3.245 10 0 GGAEMP COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650722999 566473173 /nfs/dbraw/zinc/47/31/73/566473173.db2.gz FYXRORJIETVBEU-FRFSOERESA-N 2 1 399.329 3.024 10 0 GGAEMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650722999 566473177 /nfs/dbraw/zinc/47/31/77/566473177.db2.gz FYXRORJIETVBEU-FRFSOERESA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721829 566473470 /nfs/dbraw/zinc/47/34/70/566473470.db2.gz CJJLYHTWZVYDPH-NUJGCVRESA-N 2 1 383.330 3.319 10 0 GGAEMP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723356 566473807 /nfs/dbraw/zinc/47/38/07/566473807.db2.gz MHMNJWPCWKOCRH-USXIJHARSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721827 566473934 /nfs/dbraw/zinc/47/39/34/566473934.db2.gz CJJLYHTWZVYDPH-JZXOWHBKSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723354 566474291 /nfs/dbraw/zinc/47/42/91/566474291.db2.gz MHMNJWPCWKOCRH-OIISXLGYSA-N 2 1 383.330 3.319 10 0 GGAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000423398362 566488800 /nfs/dbraw/zinc/48/88/00/566488800.db2.gz OTIBYKMXAZONER-UGFHNGPFSA-N 2 1 386.277 3.093 10 0 GGAEMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423502445 566491095 /nfs/dbraw/zinc/49/10/95/566491095.db2.gz CPJNWCFTSCNAJU-WTNGLUPJSA-N 2 1 396.348 3.382 10 0 GGAEMP Brc1ccc2c(c1)CC[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)C2 ZINC000423499450 566491334 /nfs/dbraw/zinc/49/13/34/566491334.db2.gz AYFNAKBBKZYJTB-GPJFCIFZSA-N 2 1 392.385 3.112 10 0 GGAEMP Brc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519366 566492106 /nfs/dbraw/zinc/49/21/06/566492106.db2.gz PRFPZHDSFLPHHS-TVPLGVNVSA-N 2 1 378.358 3.242 10 0 GGAEMP Brc1cccc2c1CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423526930 566492526 /nfs/dbraw/zinc/49/25/26/566492526.db2.gz ZZYHTXWRXNMIKE-ZOJXTTQQSA-N 2 1 378.358 3.242 10 0 GGAEMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1Br ZINC000423522290 566492646 /nfs/dbraw/zinc/49/26/46/566492646.db2.gz UNZNHZNASBMUEM-JEYLPNPQSA-N 2 1 384.337 3.455 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449129078 566531612 /nfs/dbraw/zinc/53/16/12/566531612.db2.gz BIWOUZVGDZSCFT-GOSISDBHSA-N 2 1 398.364 3.439 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000449129079 566531868 /nfs/dbraw/zinc/53/18/68/566531868.db2.gz BIWOUZVGDZSCFT-SFHVURJKSA-N 2 1 398.364 3.439 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CCCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000513133283 566584016 /nfs/dbraw/zinc/58/40/16/566584016.db2.gz GCSVLJGVQZNJCV-SFHVURJKSA-N 2 1 394.313 3.412 10 0 GGAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671258 566590762 /nfs/dbraw/zinc/59/07/62/566590762.db2.gz URECXGPXJLJDEQ-ZDUSSCGKSA-N 2 1 388.343 3.268 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)C[N@H+](C(C)(C)C)CC2 ZINC000425075455 566601266 /nfs/dbraw/zinc/60/12/66/566601266.db2.gz DJXUQFXTEKIERR-UHFFFAOYSA-N 2 1 384.615 3.313 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2Br)C1 ZINC000652364013 566604610 /nfs/dbraw/zinc/60/46/10/566604610.db2.gz VCNHZXABEWIWIE-KYJSFNMBSA-N 2 1 383.330 3.189 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360193 566605979 /nfs/dbraw/zinc/60/59/79/566605979.db2.gz CLPHRPCBHHNLBD-BPQIPLTHSA-N 2 1 383.330 3.189 10 0 GGAEMP COC(=O)c1ccc(Br)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000513896727 566632255 /nfs/dbraw/zinc/63/22/55/566632255.db2.gz DJYZEESMZYZZID-UHFFFAOYSA-N 2 1 383.330 3.399 10 0 GGAEMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300122 566641689 /nfs/dbraw/zinc/64/16/89/566641689.db2.gz YYTWWNIFZRWQII-SJLPKXTDSA-N 2 1 394.357 3.077 10 0 GGAEMP COc1cc(Br)ccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000514238250 566648459 /nfs/dbraw/zinc/64/84/59/566648459.db2.gz QUHPOOHJGVCOBI-GASCZTMLSA-N 2 1 385.346 3.437 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703708 566705422 /nfs/dbraw/zinc/70/54/22/566705422.db2.gz TYVBBHIGBDQXJD-LBTNJELSSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703708 566705427 /nfs/dbraw/zinc/70/54/27/566705427.db2.gz TYVBBHIGBDQXJD-LBTNJELSSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@H](C)C1 ZINC000676703708 566705430 /nfs/dbraw/zinc/70/54/30/566705430.db2.gz TYVBBHIGBDQXJD-LBTNJELSSA-N 2 1 375.340 3.395 10 0 GGAEMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(Br)c(F)c3)CC2)CC1 ZINC000541663908 566741651 /nfs/dbraw/zinc/74/16/51/566741651.db2.gz HTQZYAJQCNNFJY-UHFFFAOYSA-N 2 1 398.364 3.438 10 0 GGAEMP CCN1CC[NH+](CCCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631040956 566771548 /nfs/dbraw/zinc/77/15/48/566771548.db2.gz GZFOAHCCRKIQLM-UHFFFAOYSA-N 2 1 389.769 3.005 10 0 GGAEMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649897 566776108 /nfs/dbraw/zinc/77/61/08/566776108.db2.gz BCXNWZJTRBCCBK-ZIAGYGMSSA-N 2 1 380.323 3.396 10 0 GGAEMP C[C@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000678596467 566807186 /nfs/dbraw/zinc/80/71/86/566807186.db2.gz VJGLENMBJUWPTR-LBPRGKRZSA-N 2 1 378.318 3.054 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccccc2)cc1Br ZINC000581942230 566817404 /nfs/dbraw/zinc/81/74/04/566817404.db2.gz FPDYLJHRQQUJEA-MRXNPFEDSA-N 2 1 376.298 3.192 10 0 GGAEMP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000631703563 566819222 /nfs/dbraw/zinc/81/92/22/566819222.db2.gz VIQKOFUTUZNCIZ-RNQOJCNYSA-N 2 1 391.353 3.320 10 0 GGAEMP FC(F)Oc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000563135880 566858115 /nfs/dbraw/zinc/85/81/15/566858115.db2.gz VSQKPLNSTRNQJC-TXEJJXNPSA-N 2 1 375.257 3.482 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@@H+]3CCOC[C@@H]3C2)c1C ZINC000543451819 566884209 /nfs/dbraw/zinc/88/42/09/566884209.db2.gz KFXGYDYOWCBPRB-HNNXBMFYSA-N 2 1 376.298 3.135 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@H+]3CCOC[C@@H]3C2)c1C ZINC000543451819 566884218 /nfs/dbraw/zinc/88/42/18/566884218.db2.gz KFXGYDYOWCBPRB-HNNXBMFYSA-N 2 1 376.298 3.135 10 0 GGAEMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)c1ccc(Br)cc1 ZINC000544175750 566945510 /nfs/dbraw/zinc/94/55/10/566945510.db2.gz DUDOXUDAFZGKOB-GOSISDBHSA-N 2 1 387.281 3.161 10 0 GGAEMP Brc1ccc2ncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785190 566950443 /nfs/dbraw/zinc/95/04/43/566950443.db2.gz KJUHQBINMUAETG-HNNXBMFYSA-N 2 1 377.330 3.308 10 0 GGAEMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(Br)cs1 ZINC000493893213 566958210 /nfs/dbraw/zinc/95/82/10/566958210.db2.gz DEHUGOAWYLPTDX-LBPRGKRZSA-N 2 1 388.375 3.104 10 0 GGAEMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cc(Br)cs1 ZINC000493893212 566958520 /nfs/dbraw/zinc/95/85/20/566958520.db2.gz DEHUGOAWYLPTDX-GFCCVEGCSA-N 2 1 388.375 3.104 10 0 GGAEMP CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000519918135 566979682 /nfs/dbraw/zinc/97/96/82/566979682.db2.gz CYFMMMQEDRPFOT-UHFFFAOYSA-N 2 1 394.357 3.014 10 0 GGAEMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000519918135 566979686 /nfs/dbraw/zinc/97/96/86/566979686.db2.gz CYFMMMQEDRPFOT-UHFFFAOYSA-N 2 1 394.357 3.014 10 0 GGAEMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C1CC[NH2+]CC1 ZINC000583992947 567003304 /nfs/dbraw/zinc/00/33/04/567003304.db2.gz MXZWELVIUINGOX-ZDUSSCGKSA-N 2 1 382.346 3.475 10 0 GGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057907 567051313 /nfs/dbraw/zinc/05/13/13/567051313.db2.gz FZPIWMSRVFLZTL-VXGBXAGGSA-N 2 1 376.257 3.423 10 0 GGAEMP COc1cc(C[NH2+]CCC[NH+]2CCC2)cc(Br)c1OC(F)F ZINC000584540401 567051953 /nfs/dbraw/zinc/05/19/53/567051953.db2.gz XJGUITWJKQFRNF-UHFFFAOYSA-N 2 1 379.245 3.245 10 0 GGAEMP C[C@H]([NH2+]Cc1ccc(I)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000584768849 567068185 /nfs/dbraw/zinc/06/81/85/567068185.db2.gz CNJDZSPAROIMEW-QWRGUYRKSA-N 2 1 378.685 3.422 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Br)ccc3F)cc2)C1 ZINC000657593535 567074367 /nfs/dbraw/zinc/07/43/67/567074367.db2.gz AHRIEGAWPUCGCY-GOSISDBHSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)ccc3Br)cc2)C1 ZINC000657598251 567074701 /nfs/dbraw/zinc/07/47/01/567074701.db2.gz ZMRZGRYSBHILON-SFHVURJKSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)ccc3Br)cc2)C1 ZINC000657598251 567074709 /nfs/dbraw/zinc/07/47/09/567074709.db2.gz ZMRZGRYSBHILON-SFHVURJKSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Br)cs3)cc2)C1 ZINC000657594614 567074852 /nfs/dbraw/zinc/07/48/52/567074852.db2.gz JBLPZGYQWJOLFE-INIZCTEOSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(Br)ccc3F)cc2)C1 ZINC000657593539 567074988 /nfs/dbraw/zinc/07/49/88/567074988.db2.gz AHRIEGAWPUCGCY-SFHVURJKSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Br)c3)cc2)C1 ZINC000657595115 567075087 /nfs/dbraw/zinc/07/50/87/567075087.db2.gz FKTXHMXZOWLXGE-IBGZPJMESA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3F)cc2)C1 ZINC000657593993 567075460 /nfs/dbraw/zinc/07/54/60/567075460.db2.gz GAUSMLYKXUNWBW-GOSISDBHSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C1 ZINC000657596014 567075608 /nfs/dbraw/zinc/07/56/08/567075608.db2.gz KXBBCTSBQUUZEB-MRXNPFEDSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C1 ZINC000657596014 567075614 /nfs/dbraw/zinc/07/56/14/567075614.db2.gz KXBBCTSBQUUZEB-MRXNPFEDSA-N 2 1 393.300 3.445 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@@H]2CCC[C@H]21 ZINC000453337211 567075798 /nfs/dbraw/zinc/07/57/98/567075798.db2.gz ASGAZJVNAXVXEL-LVFSCSRESA-N 2 1 399.348 3.202 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@H]2CCC[C@@H]21 ZINC000453337210 567075976 /nfs/dbraw/zinc/07/59/76/567075976.db2.gz ASGAZJVNAXVXEL-LTDCPUDJSA-N 2 1 399.348 3.202 10 0 GGAEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140622 567123863 /nfs/dbraw/zinc/12/38/63/567123863.db2.gz VNODHFDKAYLBER-LIRRHRJNSA-N 2 1 390.325 3.262 10 0 GGAEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141087 567124041 /nfs/dbraw/zinc/12/40/41/567124041.db2.gz WEWNCWNWZSWAHK-KSSFIOAISA-N 2 1 390.325 3.262 10 0 GGAEMP C[C@@H]([NH3+])c1ccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000659290917 567200139 /nfs/dbraw/zinc/20/01/39/567200139.db2.gz FUEJVYQBZBIXOE-SECBINFHSA-N 2 1 380.311 3.064 10 0 GGAEMP C[C@H]([NH3+])c1ccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000659290927 567200353 /nfs/dbraw/zinc/20/03/53/567200353.db2.gz FUEJVYQBZBIXOE-VIFPVBQESA-N 2 1 380.311 3.064 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000659290771 567200405 /nfs/dbraw/zinc/20/04/05/567200405.db2.gz ALNFRKQJDICKTD-LBPRGKRZSA-N 2 1 398.370 3.204 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000617504106 567316678 /nfs/dbraw/zinc/31/66/78/567316678.db2.gz HMTJYBSWICOGMA-LBPRGKRZSA-N 2 1 385.339 3.477 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccc(Cl)cc2c1Cl ZINC000617504106 567316682 /nfs/dbraw/zinc/31/66/82/567316682.db2.gz HMTJYBSWICOGMA-LBPRGKRZSA-N 2 1 385.339 3.477 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000617506808 567316719 /nfs/dbraw/zinc/31/67/19/567316719.db2.gz ZSUCUCDEGMPADZ-LBPRGKRZSA-N 2 1 379.854 3.361 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)cc1Cl ZINC000617506808 567316725 /nfs/dbraw/zinc/31/67/25/567316725.db2.gz ZSUCUCDEGMPADZ-LBPRGKRZSA-N 2 1 379.854 3.361 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cccc1Br ZINC000617502343 567316760 /nfs/dbraw/zinc/31/67/60/567316760.db2.gz MDLMZVBRTRATOU-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)cccc1Br ZINC000617502343 567316768 /nfs/dbraw/zinc/31/67/68/567316768.db2.gz MDLMZVBRTRATOU-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000617504016 567316792 /nfs/dbraw/zinc/31/67/92/567316792.db2.gz FKASERRMOXSZLC-ZDUSSCGKSA-N 2 1 396.329 3.197 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(Br)ccc2o1 ZINC000617504016 567316796 /nfs/dbraw/zinc/31/67/96/567316796.db2.gz FKASERRMOXSZLC-ZDUSSCGKSA-N 2 1 396.329 3.197 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(Br)c1Cl ZINC000617506278 567316913 /nfs/dbraw/zinc/31/69/13/567316913.db2.gz IJQJQPVJJXIIFK-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(Br)c1Cl ZINC000617506278 567316914 /nfs/dbraw/zinc/31/69/14/567316914.db2.gz IJQJQPVJJXIIFK-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000617504976 567316980 /nfs/dbraw/zinc/31/69/80/567316980.db2.gz RUURMOHJOXVCLC-LBPRGKRZSA-N 2 1 384.933 3.058 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(-c2ccc(Cl)s2)on1 ZINC000617504976 567316985 /nfs/dbraw/zinc/31/69/85/567316985.db2.gz RUURMOHJOXVCLC-LBPRGKRZSA-N 2 1 384.933 3.058 10 0 GGAEMP Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617506906 567317321 /nfs/dbraw/zinc/31/73/21/567317321.db2.gz BZLKCVQPPPJEMN-HNNXBMFYSA-N 2 1 384.362 3.068 10 0 GGAEMP Cc1cc(C)c(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617506906 567317327 /nfs/dbraw/zinc/31/73/27/567317327.db2.gz BZLKCVQPPPJEMN-HNNXBMFYSA-N 2 1 384.362 3.068 10 0 GGAEMP CC[C@@H]1C[N@@H+](CCCOc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592427603 567338174 /nfs/dbraw/zinc/33/81/74/567338174.db2.gz HAJIJCRIPVPUOU-CJNGLKHVSA-N 2 1 388.293 3.119 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)cc1 ZINC000568765018 567354707 /nfs/dbraw/zinc/35/47/07/567354707.db2.gz ZNEILYAVYUGBLM-GOSISDBHSA-N 2 1 394.313 3.183 10 0 GGAEMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccsc2Br)cc1 ZINC000527663240 567358177 /nfs/dbraw/zinc/35/81/77/567358177.db2.gz WUIRLEHGFHRBGD-UHFFFAOYSA-N 2 1 396.354 3.092 10 0 GGAEMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000569338162 567397412 /nfs/dbraw/zinc/39/74/12/567397412.db2.gz FNKJZRXXULYYEP-UONOGXRCSA-N 2 1 382.346 3.475 10 0 GGAEMP C[C@@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000569338160 567398351 /nfs/dbraw/zinc/39/83/51/567398351.db2.gz FNKJZRXXULYYEP-KBPBESRZSA-N 2 1 382.346 3.475 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000662159407 567414510 /nfs/dbraw/zinc/41/45/10/567414510.db2.gz ZUFTUGJKPURYOO-PJXRAHGQSA-N 2 1 379.342 3.383 10 0 GGAEMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCSc2ccc(Br)cc21 ZINC000662258905 567421680 /nfs/dbraw/zinc/42/16/80/567421680.db2.gz XXIYKWCYTAVHLB-HIFRSBDPSA-N 2 1 383.355 3.439 10 0 GGAEMP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662255204 567422803 /nfs/dbraw/zinc/42/28/03/567422803.db2.gz BCPVBNADHVJMPG-HOCLYGCPSA-N 2 1 381.314 3.116 10 0 GGAEMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662295281 567425308 /nfs/dbraw/zinc/42/53/08/567425308.db2.gz PABOGECJHPJSQG-INIZCTEOSA-N 2 1 394.357 3.408 10 0 GGAEMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662295281 567425313 /nfs/dbraw/zinc/42/53/13/567425313.db2.gz PABOGECJHPJSQG-INIZCTEOSA-N 2 1 394.357 3.408 10 0 GGAEMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662350471 567428598 /nfs/dbraw/zinc/42/85/98/567428598.db2.gz BTRDYGXSUCOOTL-NSHDSACASA-N 2 1 386.359 3.108 10 0 GGAEMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662350471 567428604 /nfs/dbraw/zinc/42/86/04/567428604.db2.gz BTRDYGXSUCOOTL-NSHDSACASA-N 2 1 386.359 3.108 10 0 GGAEMP C[N@H+](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CCCCC1 ZINC000662414897 567434706 /nfs/dbraw/zinc/43/47/06/567434706.db2.gz HFFRTNFWPSHICI-UHFFFAOYSA-N 2 1 386.359 3.108 10 0 GGAEMP C[N@@H+](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)C1CCCCC1 ZINC000662414897 567434713 /nfs/dbraw/zinc/43/47/13/567434713.db2.gz HFFRTNFWPSHICI-UHFFFAOYSA-N 2 1 386.359 3.108 10 0 GGAEMP C[NH+](C)C1(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)CCCCC1 ZINC000662442909 567435990 /nfs/dbraw/zinc/43/59/90/567435990.db2.gz UWLPHACDKAMRNW-UHFFFAOYSA-N 2 1 386.359 3.108 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000662442291 567436853 /nfs/dbraw/zinc/43/68/53/567436853.db2.gz ZUGPBEGWUKXMKX-GFCCVEGCSA-N 2 1 398.370 3.204 10 0 GGAEMP O=C(NC1CC[NH+](C2CCCC2)CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662490290 567441555 /nfs/dbraw/zinc/44/15/55/567441555.db2.gz BQRAHAWOKBFZHL-UHFFFAOYSA-N 2 1 398.370 3.251 10 0 GGAEMP C[NH+](C)[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1 ZINC000662524538 567444535 /nfs/dbraw/zinc/44/45/35/567444535.db2.gz YCXUWQKTJCUGSG-CYBMUJFWSA-N 2 1 394.338 3.147 10 0 GGAEMP CC[NH+](CC)CCC[C@H](C)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662522773 567445006 /nfs/dbraw/zinc/44/50/06/567445006.db2.gz DIMVGSINKZTFKE-NSHDSACASA-N 2 1 388.375 3.354 10 0 GGAEMP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662668362 567455276 /nfs/dbraw/zinc/45/52/76/567455276.db2.gz LHUMUQVTOCHCLD-NSHDSACASA-N 2 1 398.370 3.251 10 0 GGAEMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662668362 567455282 /nfs/dbraw/zinc/45/52/82/567455282.db2.gz LHUMUQVTOCHCLD-NSHDSACASA-N 2 1 398.370 3.251 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@H]1C ZINC000662743901 567460424 /nfs/dbraw/zinc/46/04/24/567460424.db2.gz WZXTUZKPQNZWEZ-GHMZBOCLSA-N 2 1 386.359 3.059 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@H]1C ZINC000662743901 567460436 /nfs/dbraw/zinc/46/04/36/567460436.db2.gz WZXTUZKPQNZWEZ-GHMZBOCLSA-N 2 1 386.359 3.059 10 0 GGAEMP COC(=O)c1ccc(Br)cc1CN1CCC(c2[nH]cc[nH+]2)CC1 ZINC000619779671 567480315 /nfs/dbraw/zinc/48/03/15/567480315.db2.gz OQCCYQUALBCFAL-UHFFFAOYSA-N 2 1 378.270 3.338 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000552057005 567553067 /nfs/dbraw/zinc/55/30/67/567553067.db2.gz AKJSEXHJNZKUCH-OQIJWPOYSA-N 2 1 381.358 3.063 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000552057006 567553226 /nfs/dbraw/zinc/55/32/26/567553226.db2.gz AKJSEXHJNZKUCH-XGXHKWSGSA-N 2 1 381.358 3.063 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552064016 567555330 /nfs/dbraw/zinc/55/53/30/567555330.db2.gz UYZQFRDBYPYOLV-BVBHFADKSA-N 2 1 378.358 3.490 10 0 GGAEMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000552283459 567572539 /nfs/dbraw/zinc/57/25/39/567572539.db2.gz DPSFTJIXWQPNTL-KSZLIROESA-N 2 1 391.357 3.410 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3ccnc4cc(F)c(Br)cc43)CC2)C1 ZINC000664597946 567577553 /nfs/dbraw/zinc/57/75/53/567577553.db2.gz RFCNOJYWUPYUKN-ZDUSSCGKSA-N 2 1 394.288 3.172 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3ccnc4c(Br)ccc(F)c34)CC2)C1 ZINC000664599163 567577578 /nfs/dbraw/zinc/57/75/78/567577578.db2.gz YKZAVRQCNUIUPV-CYBMUJFWSA-N 2 1 394.288 3.172 10 0 GGAEMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3ccc(Br)cc31)CCO2 ZINC000645384941 567620825 /nfs/dbraw/zinc/62/08/25/567620825.db2.gz NHNRGNAXULNZQQ-UHFFFAOYSA-N 2 1 376.298 3.298 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1Br ZINC000572365203 567633544 /nfs/dbraw/zinc/63/35/44/567633544.db2.gz GPDNKUSMTHNMQJ-JLZZUVOBSA-N 2 1 380.330 3.370 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1Br ZINC000572365204 567634291 /nfs/dbraw/zinc/63/42/91/567634291.db2.gz GPDNKUSMTHNMQJ-VUCTXSBTSA-N 2 1 380.330 3.370 10 0 GGAEMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596651410 567646608 /nfs/dbraw/zinc/64/66/08/567646608.db2.gz PIYONIVNXZBQMC-HZMBPMFUSA-N 2 1 378.685 3.422 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@H]21 ZINC000572655319 567655948 /nfs/dbraw/zinc/65/59/48/567655948.db2.gz YVNYTDMDTXBQCY-XYVMCAHJSA-N 2 1 378.358 3.490 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)cc1Br ZINC000572999453 567681139 /nfs/dbraw/zinc/68/11/39/567681139.db2.gz XQAUISYGWLVSBD-KRWDZBQOSA-N 2 1 388.309 3.336 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1(C)C ZINC000623396447 567707601 /nfs/dbraw/zinc/70/76/01/567707601.db2.gz SKAXCBAGHYHESP-INIZCTEOSA-N 2 1 382.346 3.031 10 0 GGAEMP C[N@@H+]1CC[C@@H](NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1(C)C ZINC000623443577 567710650 /nfs/dbraw/zinc/71/06/50/567710650.db2.gz FUNBZHMJINNABR-CQSZACIVSA-N 2 1 378.318 3.197 10 0 GGAEMP C[N@H+]1CC[C@@H](NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1(C)C ZINC000623443577 567710651 /nfs/dbraw/zinc/71/06/51/567710651.db2.gz FUNBZHMJINNABR-CQSZACIVSA-N 2 1 378.318 3.197 10 0 GGAEMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623541898 567720076 /nfs/dbraw/zinc/72/00/76/567720076.db2.gz CPXHZEQFBCBFMA-DOTOQJQBSA-N 2 1 383.374 3.371 10 0 GGAEMP Cc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541628 567720700 /nfs/dbraw/zinc/72/07/00/567720700.db2.gz RCLGUWASVPMXIN-DLBZAZTESA-N 2 1 383.374 3.371 10 0 GGAEMP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000623871685 567743231 /nfs/dbraw/zinc/74/32/31/567743231.db2.gz KQWYLEXIOBRYMK-LBPRGKRZSA-N 2 1 379.854 3.121 10 0 GGAEMP CC[NH+]1CCC([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000461883643 567751287 /nfs/dbraw/zinc/75/12/87/567751287.db2.gz OEYAZPNCBIRVCG-CQSZACIVSA-N 2 1 376.854 3.406 10 0 GGAEMP OCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cc(Br)ccc1F ZINC000574212383 567763616 /nfs/dbraw/zinc/76/36/16/567763616.db2.gz KFPOZFLQXJPBDQ-UHFFFAOYSA-N 2 1 393.300 3.228 10 0 GGAEMP OCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1cc(Br)ccc1F ZINC000574212383 567763625 /nfs/dbraw/zinc/76/36/25/567763625.db2.gz KFPOZFLQXJPBDQ-UHFFFAOYSA-N 2 1 393.300 3.228 10 0 GGAEMP CC(C)Cc1ncc(C[NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000533449445 567769633 /nfs/dbraw/zinc/76/96/33/567769633.db2.gz MEZZCYNMWRQPJS-QGZVFWFLSA-N 2 1 378.611 3.481 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901813 567805530 /nfs/dbraw/zinc/80/55/30/567805530.db2.gz VVFAOLQFLJAJQT-RHSMWYFYSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901617 567805962 /nfs/dbraw/zinc/80/59/62/567805962.db2.gz RPERTQDCSYWEQN-HOCLYGCPSA-N 2 1 380.330 3.242 10 0 GGAEMP CCN(CC(=O)NCc1ccccc1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000072305034 570515551 /nfs/dbraw/zinc/51/55/51/570515551.db2.gz VAOCFFBPLOCPMN-JOCHJYFZSA-N 2 1 379.548 3.455 10 0 GGAEMP C[NH+](CCCNC(=O)NCCC[N@H+](C)Cc1ccccc1)Cc1ccccc1 ZINC000036394205 570677361 /nfs/dbraw/zinc/67/73/61/570677361.db2.gz DXGFCIVZDXZXKN-UHFFFAOYSA-N 2 1 382.552 3.330 10 0 GGAEMP Cn1c(C(=O)NCCC[NH+]2CCCCC2)cc2c1CC[N@@H+](Cc1ccccc1)C2 ZINC000065210869 570730398 /nfs/dbraw/zinc/73/03/98/570730398.db2.gz WHFGUXKETJGYGI-UHFFFAOYSA-N 2 1 394.563 3.189 10 0 GGAEMP Cn1c(C(=O)NCCC[NH+]2CCCCC2)cc2c1CC[N@H+](Cc1ccccc1)C2 ZINC000065210869 570730401 /nfs/dbraw/zinc/73/04/01/570730401.db2.gz WHFGUXKETJGYGI-UHFFFAOYSA-N 2 1 394.563 3.189 10 0 GGAEMP C[NH+](C)CCOc1ccccc1C(=O)NCC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000059003393 570737022 /nfs/dbraw/zinc/73/70/22/570737022.db2.gz FILTXHBOIXRWHW-UHFFFAOYSA-N 2 1 395.547 3.194 10 0 GGAEMP c1ccc(COc2cccc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)c2)cc1 ZINC000052585237 1406089927 /nfs/dbraw/zinc/08/99/27/1406089927.db2.gz DWCOZYMVUZGKTB-UHFFFAOYSA-N 2 1 379.548 3.479 10 0 GGAEMP CCOc1cc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1OC ZINC000069171442 1409580437 /nfs/dbraw/zinc/58/04/37/1409580437.db2.gz DZTJRNRAEINXAP-OAQYLSRUSA-N 2 1 383.536 3.172 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003867 1410059980 /nfs/dbraw/zinc/05/99/80/1410059980.db2.gz BXASEDOWLBMWTF-IPMKNSEASA-N 2 1 380.536 3.431 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003867 1410059991 /nfs/dbraw/zinc/05/99/91/1410059991.db2.gz BXASEDOWLBMWTF-IPMKNSEASA-N 2 1 380.536 3.431 10 0 GGAEMP COc1ccc(C[NH+]2CCC3(C[C@@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC000096048056 1410322591 /nfs/dbraw/zinc/32/25/91/1410322591.db2.gz RISHNLUTQZWKJN-OAQYLSRUSA-N 2 1 381.520 3.346 10 0 GGAEMP CC[N@@H+](C)Cc1cccc(CNCc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000105449038 1411067763 /nfs/dbraw/zinc/06/77/63/1411067763.db2.gz HJCPPMYKFHFZRA-UHFFFAOYSA-N 2 1 384.446 3.411 10 0 GGAEMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000105449038 1411067771 /nfs/dbraw/zinc/06/77/71/1411067771.db2.gz HJCPPMYKFHFZRA-UHFFFAOYSA-N 2 1 384.446 3.411 10 0 GGAEMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(C)nn(C)c2OCC(F)(F)F)c1 ZINC000105449038 1411067782 /nfs/dbraw/zinc/06/77/82/1411067782.db2.gz HJCPPMYKFHFZRA-UHFFFAOYSA-N 2 1 384.446 3.411 10 0 GGAEMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C)nc3-c3cccnc3)CC2)oc1C ZINC000111412215 1411944956 /nfs/dbraw/zinc/94/49/56/1411944956.db2.gz DTGDUIUDYIWQED-UHFFFAOYSA-N 2 1 394.523 3.089 10 0 GGAEMP COC(=O)c1ccc(C)c(NC(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396437 1412854524 /nfs/dbraw/zinc/85/45/24/1412854524.db2.gz CCFVNXAUKOPHQS-YJBOKZPZSA-N 2 1 377.529 3.065 10 0 GGAEMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124793316 1415045277 /nfs/dbraw/zinc/04/52/77/1415045277.db2.gz BAUYAWPUDYZHDL-OQIJWPOYSA-N 2 1 397.485 3.476 10 0 GGAEMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@@H+](C)CCCn1ccnc1C ZINC000130771494 1416446570 /nfs/dbraw/zinc/44/65/70/1416446570.db2.gz HJTNAZRFPAPZGO-GOSISDBHSA-N 2 1 394.523 3.343 10 0 GGAEMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130771494 1416446574 /nfs/dbraw/zinc/44/65/74/1416446574.db2.gz HJTNAZRFPAPZGO-GOSISDBHSA-N 2 1 394.523 3.343 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)Cc3cccc(Cl)c3)cn2)CC1 ZINC000134406043 1417065913 /nfs/dbraw/zinc/06/59/13/1417065913.db2.gz HMMDVMSRLNHKSN-UHFFFAOYSA-N 2 1 387.959 3.240 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)ccc1OC(F)F ZINC000136567459 1417327187 /nfs/dbraw/zinc/32/71/87/1417327187.db2.gz DOFNIKQERUSHER-IAGOWNOFSA-N 2 1 384.467 3.154 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc(Cl)c1OC ZINC000136576875 1417328477 /nfs/dbraw/zinc/32/84/77/1417328477.db2.gz AOBSTCMASQLOMH-ROUUACIJSA-N 2 1 382.932 3.215 10 0 GGAEMP OC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc(Br)o1)CC2 ZINC000169782449 1425256147 /nfs/dbraw/zinc/25/61/47/1425256147.db2.gz NKWHPHMRCQGDRC-AWEZNQCLSA-N 2 1 383.330 3.101 10 0 GGAEMP OC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccc(Br)o1)CC2 ZINC000169782449 1425256151 /nfs/dbraw/zinc/25/61/51/1425256151.db2.gz NKWHPHMRCQGDRC-AWEZNQCLSA-N 2 1 383.330 3.101 10 0 GGAEMP CC(C)n1cc(C[NH+]2CCC3(C[N@@H+](Cc4ccccc4)C[C@@H]3CO)CC2)cn1 ZINC000169789932 1425258559 /nfs/dbraw/zinc/25/85/59/1425258559.db2.gz WSZHMHWZTSMGRR-JOCHJYFZSA-N 2 1 382.552 3.171 10 0 GGAEMP COc1ccc([C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237351668 1433398395 /nfs/dbraw/zinc/39/83/95/1433398395.db2.gz CEXNWWCOMMSGCJ-GOTSBHOMSA-N 2 1 393.531 3.053 10 0 GGAEMP C[C@H]1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1ccnc1 ZINC000245558276 1433485160 /nfs/dbraw/zinc/48/51/60/1433485160.db2.gz BDOHURDCXPATKE-SUMWQHHRSA-N 2 1 398.404 3.240 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000246608819 1433639026 /nfs/dbraw/zinc/63/90/26/1433639026.db2.gz DKSYMJAITZOEGE-INMHGKMJSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@H]5[C@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000246608819 1433639027 /nfs/dbraw/zinc/63/90/27/1433639027.db2.gz DKSYMJAITZOEGE-INMHGKMJSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H]5[C@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000246608819 1433639028 /nfs/dbraw/zinc/63/90/28/1433639028.db2.gz DKSYMJAITZOEGE-INMHGKMJSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@H]5[C@H](CCC[N@H+]5C)C4)nc(N)c23)C1 ZINC000246608819 1433639029 /nfs/dbraw/zinc/63/90/29/1433639029.db2.gz DKSYMJAITZOEGE-INMHGKMJSA-N 2 1 399.608 3.357 10 0 GGAEMP CCC[NH+]1CCC([N@H+]2C[C@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000257175625 1433893339 /nfs/dbraw/zinc/89/33/39/1433893339.db2.gz QBZXWBDEVSLQQP-OAQYLSRUSA-N 2 1 387.568 3.201 10 0 GGAEMP CCC[NH+]1CCC([N@H+]2C[C@@H](COCc3ccncc3)C3(C2)CCOCC3)CC1 ZINC000257175623 1433893435 /nfs/dbraw/zinc/89/34/35/1433893435.db2.gz QBZXWBDEVSLQQP-NRFANRHFSA-N 2 1 387.568 3.201 10 0 GGAEMP CC(C)Oc1ccccc1C[NH+]1CCC2(CC[C@H](C[NH+]3CCOCC3)O2)CC1 ZINC000257189468 1433894342 /nfs/dbraw/zinc/89/43/42/1433894342.db2.gz IYHRHHJWEOGOBL-OAQYLSRUSA-N 2 1 388.552 3.320 10 0 GGAEMP c1ccc(C[N@H+]2CC[C@H](c3nnc4n3CC[NH+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196971 1433895020 /nfs/dbraw/zinc/89/50/20/1433895020.db2.gz ZFHBGXQCSLGAQK-QFIPXVFZSA-N 2 1 387.531 3.326 10 0 GGAEMP c1ccc(C[NH+]2CC[C@H](c3nnc4n3CC[N@@H+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196971 1433895021 /nfs/dbraw/zinc/89/50/21/1433895021.db2.gz ZFHBGXQCSLGAQK-QFIPXVFZSA-N 2 1 387.531 3.326 10 0 GGAEMP c1ccc(C[NH+]2CC[C@H](c3nnc4n3CC[N@H+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196971 1433895023 /nfs/dbraw/zinc/89/50/23/1433895023.db2.gz ZFHBGXQCSLGAQK-QFIPXVFZSA-N 2 1 387.531 3.326 10 0 GGAEMP O=C(c1ccco1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000268739208 1434551793 /nfs/dbraw/zinc/55/17/93/1434551793.db2.gz CNLNHTXHGSCLQY-UHFFFAOYSA-N 2 1 381.520 3.181 10 0 GGAEMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)CC3 ZINC000272818653 1434933430 /nfs/dbraw/zinc/93/34/30/1434933430.db2.gz CQYYKDBICTVKTD-QGZVFWFLSA-N 2 1 383.536 3.268 10 0 GGAEMP C[N@@H+](CCn1ccc2ccccc21)[C@@H]1c2ccccc2C2(CC[NH2+]CC2)[C@H]1O ZINC000023581098 212105695 /nfs/dbraw/zinc/10/56/95/212105695.db2.gz YBZKXMJYDXDZPW-PKTZIBPZSA-N 2 1 375.516 3.310 10 0 GGAEMP C[NH+](Cc1ccno1)Cc1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012313943 221179087 /nfs/dbraw/zinc/17/90/87/221179087.db2.gz SBNQLYAQDHGTJQ-OAQYLSRUSA-N 2 1 395.503 3.178 10 0 GGAEMP C[NH+](Cc1ccno1)Cc1ccc(OC[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012313943 221179089 /nfs/dbraw/zinc/17/90/89/221179089.db2.gz SBNQLYAQDHGTJQ-OAQYLSRUSA-N 2 1 395.503 3.178 10 0 GGAEMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@H+](C)Cc2ccno2)cc1 ZINC000012313943 221179091 /nfs/dbraw/zinc/17/90/91/221179091.db2.gz SBNQLYAQDHGTJQ-OAQYLSRUSA-N 2 1 395.503 3.178 10 0 GGAEMP C[NH+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[N@@H+](C)Cc2ccno2)cc1 ZINC000012313943 221179093 /nfs/dbraw/zinc/17/90/93/221179093.db2.gz SBNQLYAQDHGTJQ-OAQYLSRUSA-N 2 1 395.503 3.178 10 0 GGAEMP COCC[N@H+]1CCC[C@]2(CC[NH+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570232 221208166 /nfs/dbraw/zinc/20/81/66/221208166.db2.gz AESSXTZRMJWKSO-QHCPKHFHSA-N 2 1 382.552 3.423 10 0 GGAEMP COCC[NH+]1CCC[C@]2(CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570232 221208170 /nfs/dbraw/zinc/20/81/70/221208170.db2.gz AESSXTZRMJWKSO-QHCPKHFHSA-N 2 1 382.552 3.423 10 0 GGAEMP COCC[NH+]1CCC[C@]2(CC[N@@H+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570232 221208171 /nfs/dbraw/zinc/20/81/71/221208171.db2.gz AESSXTZRMJWKSO-QHCPKHFHSA-N 2 1 382.552 3.423 10 0 GGAEMP COc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccc(F)cc1Cl ZINC000013733254 221285310 /nfs/dbraw/zinc/28/53/10/221285310.db2.gz SQTCCCGPEOSFSB-UHFFFAOYSA-N 2 1 396.890 3.128 10 0 GGAEMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(F)cc1 ZINC000013732961 221286193 /nfs/dbraw/zinc/28/61/93/221286193.db2.gz NYQWRDGAOKWMSX-UHFFFAOYSA-N 2 1 396.890 3.128 10 0 GGAEMP O[C@H](COc1ccccc1C[NH+]1CCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000015073025 221331252 /nfs/dbraw/zinc/33/12/52/221331252.db2.gz OXATVEAULSWRBR-QHCPKHFHSA-N 2 1 380.532 3.471 10 0 GGAEMP [NH3+]CC1(c2ccc(OC(F)(F)F)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000089223290 136175577 /nfs/dbraw/zinc/17/55/77/136175577.db2.gz DWJDGCPTSJEFPC-UHFFFAOYSA-N 2 1 391.397 3.353 10 0 GGAEMP CC(C)[C@H](NC(=O)C[N@@H+](C)C(C)C)c1ccccc1NC(=O)C[NH+](C)C(C)C ZINC000095976321 222366787 /nfs/dbraw/zinc/36/67/87/222366787.db2.gz OQDUVTYCJXGWNF-QFIPXVFZSA-N 2 1 390.572 3.119 10 0 GGAEMP CC(C)[C@H](NC(=O)C[NH+](C)C(C)C)c1ccccc1NC(=O)C[N@H+](C)C(C)C ZINC000095976321 222366793 /nfs/dbraw/zinc/36/67/93/222366793.db2.gz OQDUVTYCJXGWNF-QFIPXVFZSA-N 2 1 390.572 3.119 10 0 GGAEMP CC(C)[C@H](NC(=O)C[NH+](C)C(C)C)c1ccccc1NC(=O)C[N@@H+](C)C(C)C ZINC000095976321 222366797 /nfs/dbraw/zinc/36/67/97/222366797.db2.gz OQDUVTYCJXGWNF-QFIPXVFZSA-N 2 1 390.572 3.119 10 0 GGAEMP Cc1[nH+]ccn1[C@@H](C)c1nc(CC2CC[NH+](C)CC2)nn1Cc1ccccc1 ZINC000096133439 222386407 /nfs/dbraw/zinc/38/64/07/222386407.db2.gz GYLFKKUSXYJVJZ-KRWDZBQOSA-N 2 1 378.524 3.325 10 0 GGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@@H+]1C ZINC000119896019 564293631 /nfs/dbraw/zinc/29/36/31/564293631.db2.gz KKCHEACLVOVWMT-MRVWCRGKSA-N 2 1 376.854 3.405 10 0 GGAEMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC[N@H+]1C ZINC000119896019 564293636 /nfs/dbraw/zinc/29/36/36/564293636.db2.gz KKCHEACLVOVWMT-MRVWCRGKSA-N 2 1 376.854 3.405 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121358576 564365776 /nfs/dbraw/zinc/36/57/76/564365776.db2.gz JAAIGMXCYLNFGF-PKOBYXMFSA-N 2 1 383.989 3.276 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000121358576 564365779 /nfs/dbraw/zinc/36/57/79/564365779.db2.gz JAAIGMXCYLNFGF-PKOBYXMFSA-N 2 1 383.989 3.276 10 0 GGAEMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1ccccc1Br ZINC000066533930 564768200 /nfs/dbraw/zinc/76/82/00/564768200.db2.gz PJSDNUMMPCESCE-UHFFFAOYSA-N 2 1 380.330 3.338 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1Br ZINC000154565925 565044893 /nfs/dbraw/zinc/04/48/93/565044893.db2.gz YGBQNPZOQABFFG-OAHLLOKOSA-N 2 1 391.313 3.447 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1Br ZINC000154565925 565044897 /nfs/dbraw/zinc/04/48/97/565044897.db2.gz YGBQNPZOQABFFG-OAHLLOKOSA-N 2 1 391.313 3.447 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000369927548 565118831 /nfs/dbraw/zinc/11/88/31/565118831.db2.gz NDLJWDJVZDSRQI-VQIMIIECSA-N 2 1 383.627 3.322 10 0 GGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)ccc2OC(F)F)CC1 ZINC000170941873 565399853 /nfs/dbraw/zinc/39/98/53/565399853.db2.gz QIIMWCQASHHQAJ-ZDUSSCGKSA-N 2 1 376.875 3.466 10 0 GGAEMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Br)cc1 ZINC000171389237 565429528 /nfs/dbraw/zinc/42/95/28/565429528.db2.gz CQTRAWOFCPVWIU-UHFFFAOYSA-N 2 1 380.330 3.195 10 0 GGAEMP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727129 565508328 /nfs/dbraw/zinc/50/83/28/565508328.db2.gz QPSSEWYJLCJEMM-JKSUJKDBSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727129 565508329 /nfs/dbraw/zinc/50/83/29/565508329.db2.gz QPSSEWYJLCJEMM-JKSUJKDBSA-N 2 1 390.325 3.423 10 0 GGAEMP Cn1ncc(Br)c1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278357943 565553514 /nfs/dbraw/zinc/55/35/14/565553514.db2.gz IOEUHPLRGXODSD-ALOPSCKCSA-N 2 1 389.341 3.468 10 0 GGAEMP Brc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000312038803 565581099 /nfs/dbraw/zinc/58/10/99/565581099.db2.gz QBIHAJNYYRFMRF-PHIMTYICSA-N 2 1 389.135 3.038 10 0 GGAEMP Brc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000312038803 565581102 /nfs/dbraw/zinc/58/11/02/565581102.db2.gz QBIHAJNYYRFMRF-PHIMTYICSA-N 2 1 389.135 3.038 10 0 GGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693893 565621985 /nfs/dbraw/zinc/62/19/85/565621985.db2.gz BMWSIHLWECTPML-CRAIPNDOSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693893 565621987 /nfs/dbraw/zinc/62/19/87/565621987.db2.gz BMWSIHLWECTPML-CRAIPNDOSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693893 565621990 /nfs/dbraw/zinc/62/19/90/565621990.db2.gz BMWSIHLWECTPML-CRAIPNDOSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000191693893 565621993 /nfs/dbraw/zinc/62/19/93/565621993.db2.gz BMWSIHLWECTPML-CRAIPNDOSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693893 565622006 /nfs/dbraw/zinc/62/20/06/565622006.db2.gz BMWSIHLWECTPML-CRAIPNDOSA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693893 565622009 /nfs/dbraw/zinc/62/20/09/565622009.db2.gz BMWSIHLWECTPML-CRAIPNDOSA-N 2 1 396.373 3.200 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)c(C)c2)[C@H](C)C1 ZINC000174770714 565657645 /nfs/dbraw/zinc/65/76/45/565657645.db2.gz NFIQGSGXGGCEPJ-RHSMWYFYSA-N 2 1 382.346 3.358 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Br)cc2F)[C@H](C)C1 ZINC000174769613 565657666 /nfs/dbraw/zinc/65/76/66/565657666.db2.gz RMVFVLCDBXLXOJ-MLGOLLRUSA-N 2 1 386.309 3.189 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000175719780 565719370 /nfs/dbraw/zinc/71/93/70/565719370.db2.gz BICXPHPBYFEANY-KEYYUXOJSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000175719780 565719374 /nfs/dbraw/zinc/71/93/74/565719374.db2.gz BICXPHPBYFEANY-KEYYUXOJSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000175719780 565719377 /nfs/dbraw/zinc/71/93/77/565719377.db2.gz BICXPHPBYFEANY-KEYYUXOJSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730661 565720274 /nfs/dbraw/zinc/72/02/74/565720274.db2.gz OHYYOFVYIVYFCS-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730661 565720278 /nfs/dbraw/zinc/72/02/78/565720278.db2.gz OHYYOFVYIVYFCS-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730661 565720280 /nfs/dbraw/zinc/72/02/80/565720280.db2.gz OHYYOFVYIVYFCS-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730637 565720468 /nfs/dbraw/zinc/72/04/68/565720468.db2.gz OHYYOFVYIVYFCS-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730637 565720473 /nfs/dbraw/zinc/72/04/73/565720473.db2.gz OHYYOFVYIVYFCS-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@H](C)C1 ZINC000175730637 565720474 /nfs/dbraw/zinc/72/04/74/565720474.db2.gz OHYYOFVYIVYFCS-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP Brc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)OCO2 ZINC000193077799 565731703 /nfs/dbraw/zinc/73/17/03/565731703.db2.gz ZOBBQRUFONVVFK-UHFFFAOYSA-N 2 1 381.314 3.486 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000178311047 565912680 /nfs/dbraw/zinc/91/26/80/565912680.db2.gz NUKTYOULGOBBEG-SUMWQHHRSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(Br)c1 ZINC000178311047 565912683 /nfs/dbraw/zinc/91/26/83/565912683.db2.gz NUKTYOULGOBBEG-SUMWQHHRSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414936224 565965264 /nfs/dbraw/zinc/96/52/64/565965264.db2.gz GRDZRUPWUYKCSX-KZULUSFZSA-N 2 1 377.330 3.339 10 0 GGAEMP C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000415046619 565970957 /nfs/dbraw/zinc/97/09/57/565970957.db2.gz CXRVPVOJRUDCTL-MNNVXMFVSA-N 2 1 380.374 3.359 10 0 GGAEMP Clc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(Br)c1 ZINC000415045361 565970982 /nfs/dbraw/zinc/97/09/82/565970982.db2.gz BOVDGAVXTFNLPV-UHFFFAOYSA-N 2 1 386.765 3.409 10 0 GGAEMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCOc1cccc(I)c1 ZINC000415055276 565971624 /nfs/dbraw/zinc/97/16/24/565971624.db2.gz OARMBBADHFLBMU-AWEZNQCLSA-N 2 1 376.282 3.023 10 0 GGAEMP Clc1sc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000415048885 565971662 /nfs/dbraw/zinc/97/16/62/565971662.db2.gz GKOOIRRJTWUKOF-UHFFFAOYSA-N 2 1 392.794 3.470 10 0 GGAEMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058533 565971755 /nfs/dbraw/zinc/97/17/55/565971755.db2.gz TYOVQPCTLBPRDJ-RWBZWWBESA-N 2 1 398.364 3.325 10 0 GGAEMP Clc1ccc(Br)cc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415049525 565971867 /nfs/dbraw/zinc/97/18/67/565971867.db2.gz HMCYBQSUPGWUOF-UHFFFAOYSA-N 2 1 386.765 3.409 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415107785 565973535 /nfs/dbraw/zinc/97/35/35/565973535.db2.gz LQEWGPJQGIPKMO-WMZOPIPTSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122643 565974713 /nfs/dbraw/zinc/97/47/13/565974713.db2.gz KCDXRRBVFRYJGV-FUHWJXTLSA-N 2 1 383.330 3.176 10 0 GGAEMP CC[N@H+]1CC[C@H](NCc2n[nH]c(-c3ccc(Br)cc3)n2)[C@@H](C)C1 ZINC000246273191 566024256 /nfs/dbraw/zinc/02/42/56/566024256.db2.gz AVJNMBBBYDLCFF-WFASDCNBSA-N 2 1 378.318 3.054 10 0 GGAEMP Cc1cc(Br)ccc1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246585282 566034184 /nfs/dbraw/zinc/03/41/84/566034184.db2.gz CKGZTUAMTNCNGJ-YOEHRIQHSA-N 2 1 380.330 3.112 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050588 566051963 /nfs/dbraw/zinc/05/19/63/566051963.db2.gz OHYYOFVYIVYFCS-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050588 566051967 /nfs/dbraw/zinc/05/19/67/566051967.db2.gz OHYYOFVYIVYFCS-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(Br)c2)[C@@H](C)C1 ZINC000247050588 566051971 /nfs/dbraw/zinc/05/19/71/566051971.db2.gz OHYYOFVYIVYFCS-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268354 566056265 /nfs/dbraw/zinc/05/62/65/566056265.db2.gz VZCAKALRVKXAJY-NWDGAFQWSA-N 2 1 383.290 3.254 10 0 GGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(I)cc2)C[C@H]1c1ccccc1 ZINC000261686422 566128820 /nfs/dbraw/zinc/12/88/20/566128820.db2.gz IRWATGYPLPZATQ-AEFFLSMTSA-N 2 1 392.284 3.466 10 0 GGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(I)cc2)C[C@H]1c1ccccc1 ZINC000261686422 566128823 /nfs/dbraw/zinc/12/88/23/566128823.db2.gz IRWATGYPLPZATQ-AEFFLSMTSA-N 2 1 392.284 3.466 10 0 GGAEMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181720920 566161521 /nfs/dbraw/zinc/16/15/21/566161521.db2.gz WYBAZQOCXCZFGR-KGLIPLIRSA-N 2 1 380.330 3.482 10 0 GGAEMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000181720902 566162028 /nfs/dbraw/zinc/16/20/28/566162028.db2.gz WYBAZQOCXCZFGR-KBPBESRZSA-N 2 1 380.330 3.482 10 0 GGAEMP [NH3+][C@H]1CCCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417986951 566186534 /nfs/dbraw/zinc/18/65/34/566186534.db2.gz HEUCPAMOUTVVCR-INIZCTEOSA-N 2 1 385.339 3.091 10 0 GGAEMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376061 566274428 /nfs/dbraw/zinc/27/44/28/566274428.db2.gz AETZMTVWUYMZAY-YXJHDRRASA-N 2 1 394.357 3.090 10 0 GGAEMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376061 566274433 /nfs/dbraw/zinc/27/44/33/566274433.db2.gz AETZMTVWUYMZAY-YXJHDRRASA-N 2 1 394.357 3.090 10 0 GGAEMP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404383 566275948 /nfs/dbraw/zinc/27/59/48/566275948.db2.gz RZPHICRVTOVTQV-WBVHZDCISA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404383 566275953 /nfs/dbraw/zinc/27/59/53/566275953.db2.gz RZPHICRVTOVTQV-WBVHZDCISA-N 2 1 384.351 3.116 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420400272 566276414 /nfs/dbraw/zinc/27/64/14/566276414.db2.gz OOSNCPIIWUZTCM-CRAIPNDOSA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420400272 566276419 /nfs/dbraw/zinc/27/64/19/566276419.db2.gz OOSNCPIIWUZTCM-CRAIPNDOSA-N 2 1 384.351 3.416 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397667 566276510 /nfs/dbraw/zinc/27/65/10/566276510.db2.gz MTZHEUDJBWUPTD-PBHICJAKSA-N 2 1 380.330 3.242 10 0 GGAEMP C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(C)(=O)=O ZINC000575848802 566292180 /nfs/dbraw/zinc/29/21/80/566292180.db2.gz RXKGAIFFHYLOAK-QNBCLJFBSA-N 2 1 384.973 3.277 10 0 GGAEMP CN(C(=O)c1ccsc1C(F)(F)F)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625502396 566329750 /nfs/dbraw/zinc/32/97/50/566329750.db2.gz YKXKBAMANKTXCQ-CYBMUJFWSA-N 2 1 375.460 3.007 10 0 GGAEMP CN(C(=O)c1ccsc1C(F)(F)F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625502396 566329751 /nfs/dbraw/zinc/32/97/51/566329751.db2.gz YKXKBAMANKTXCQ-CYBMUJFWSA-N 2 1 375.460 3.007 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000576941067 566391554 /nfs/dbraw/zinc/39/15/54/566391554.db2.gz TWKZNNUNKQQMFV-LQDVMPOASA-N 2 1 380.330 3.370 10 0 GGAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000627011440 566459085 /nfs/dbraw/zinc/45/90/85/566459085.db2.gz APRKFTZNTPKYLM-YVEFUNNKSA-N 2 1 385.339 3.007 10 0 GGAEMP CC[C@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873118 566462377 /nfs/dbraw/zinc/46/23/77/566462377.db2.gz KBAXIXRBQDHFHK-SNPRPXQTSA-N 2 1 376.854 3.453 10 0 GGAEMP C[C@@H]([NH2+]C[C@H]1CCN(c2cccc(Br)c2)C1)c1c[nH+]ccc1N ZINC000422902200 566464638 /nfs/dbraw/zinc/46/46/38/566464638.db2.gz UADYYMBPFWEIBF-ZIAGYGMSSA-N 2 1 375.314 3.434 10 0 GGAEMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422955650 566467637 /nfs/dbraw/zinc/46/76/37/566467637.db2.gz MTZXDJVOBAAKCP-GFCCVEGCSA-N 2 1 377.286 3.244 10 0 GGAEMP FC(F)(F)c1cc(Br)ccc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423020659 566468603 /nfs/dbraw/zinc/46/86/03/566468603.db2.gz CMWHWLLVDVIQRX-CABCVRRESA-N 2 1 393.247 3.325 10 0 GGAEMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723691 566473709 /nfs/dbraw/zinc/47/37/09/566473709.db2.gz RZQCJVNRDADUCA-ZTFGCOKTSA-N 2 1 383.330 3.319 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722323 566473869 /nfs/dbraw/zinc/47/38/69/566473869.db2.gz POBNFIPLKBGABF-BMFZPTHFSA-N 2 1 397.313 3.039 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722323 566473874 /nfs/dbraw/zinc/47/38/74/566473874.db2.gz POBNFIPLKBGABF-BMFZPTHFSA-N 2 1 397.313 3.039 10 0 GGAEMP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(Br)cc(OC)cc1OC ZINC000650719317 566473971 /nfs/dbraw/zinc/47/39/71/566473971.db2.gz LKMLTWJRVRTEAU-UHFFFAOYSA-N 2 1 379.298 3.476 10 0 GGAEMP COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650723001 566474145 /nfs/dbraw/zinc/47/41/45/566474145.db2.gz FYXRORJIETVBEU-UNEWFSDZSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1O ZINC000650723001 566474149 /nfs/dbraw/zinc/47/41/49/566474149.db2.gz FYXRORJIETVBEU-UNEWFSDZSA-N 2 1 399.329 3.024 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722101 566474564 /nfs/dbraw/zinc/47/45/64/566474564.db2.gz KSDXIHYFBPCVSE-VNQPRFMTSA-N 2 1 397.313 3.039 10 0 GGAEMP Cc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423161648 566480498 /nfs/dbraw/zinc/48/04/98/566480498.db2.gz NYBKYQCQIMTFQJ-ZFWWWQNUSA-N 2 1 378.314 3.067 10 0 GGAEMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423509505 566490914 /nfs/dbraw/zinc/49/09/14/566490914.db2.gz MMAODAMGKHZUPJ-NNGSBXSVSA-N 2 1 398.364 3.325 10 0 GGAEMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Br)ccc1F ZINC000423525745 566492376 /nfs/dbraw/zinc/49/23/76/566492376.db2.gz YNVOTPYZXIMWBM-JEYLPNPQSA-N 2 1 384.337 3.455 10 0 GGAEMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cscc3Br)cn2)CC1 ZINC000512133224 566515842 /nfs/dbraw/zinc/51/58/42/566515842.db2.gz URIZQVGJQDJSCI-UHFFFAOYSA-N 2 1 395.370 3.337 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360196 566605943 /nfs/dbraw/zinc/60/59/43/566605943.db2.gz CLPHRPCBHHNLBD-NXHRZFHOSA-N 2 1 383.330 3.189 10 0 GGAEMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)C1 ZINC000540300121 566642522 /nfs/dbraw/zinc/64/25/22/566642522.db2.gz YYTWWNIFZRWQII-FUHWJXTLSA-N 2 1 394.357 3.077 10 0 GGAEMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629542777 566663401 /nfs/dbraw/zinc/66/34/01/566663401.db2.gz LNDAMKYMDMDWCW-WMLDXEAASA-N 2 1 394.357 3.092 10 0 GGAEMP FC(F)(F)C1CC[NH+](C2CC(Nc3cc[nH+]cc3Br)C2)CC1 ZINC000561323904 566695054 /nfs/dbraw/zinc/69/50/54/566695054.db2.gz STGIPKAWWTXABX-UHFFFAOYSA-N 2 1 378.236 3.483 10 0 GGAEMP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801476 566763341 /nfs/dbraw/zinc/76/33/41/566763341.db2.gz SKWKLLVTMSILCB-INIZCTEOSA-N 2 1 384.337 3.189 10 0 GGAEMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451189779 566772850 /nfs/dbraw/zinc/77/28/50/566772850.db2.gz KAVLFTXMMXDOJA-MRXNPFEDSA-N 2 1 395.288 3.361 10 0 GGAEMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Cc2cccc(I)c2)C1 ZINC000451189779 566772854 /nfs/dbraw/zinc/77/28/54/566772854.db2.gz KAVLFTXMMXDOJA-MRXNPFEDSA-N 2 1 395.288 3.361 10 0 GGAEMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649890 566775751 /nfs/dbraw/zinc/77/57/51/566775751.db2.gz BCXNWZJTRBCCBK-KBPBESRZSA-N 2 1 380.323 3.396 10 0 GGAEMP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241808 566844324 /nfs/dbraw/zinc/84/43/24/566844324.db2.gz KMPCMNWBTFGRHR-TUVASFSCSA-N 2 1 384.351 3.491 10 0 GGAEMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Cl)cc1Cl ZINC000582241809 566844764 /nfs/dbraw/zinc/84/47/64/566844764.db2.gz KMPCMNWBTFGRHR-ZQDZILKHSA-N 2 1 384.351 3.491 10 0 GGAEMP Brc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc2c1OCCO2 ZINC000518780866 566902966 /nfs/dbraw/zinc/90/29/66/566902966.db2.gz DUCVHAQNGJPLOR-UHFFFAOYSA-N 2 1 381.314 3.327 10 0 GGAEMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543787679 566911270 /nfs/dbraw/zinc/91/12/70/566911270.db2.gz NSRYZEXOOJTZDT-QGZVFWFLSA-N 2 1 385.346 3.390 10 0 GGAEMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543787679 566911278 /nfs/dbraw/zinc/91/12/78/566911278.db2.gz NSRYZEXOOJTZDT-QGZVFWFLSA-N 2 1 385.346 3.390 10 0 GGAEMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1O ZINC000656783374 566950032 /nfs/dbraw/zinc/95/00/32/566950032.db2.gz QKIHPUXBXYXBIG-CQSZACIVSA-N 2 1 383.330 3.375 10 0 GGAEMP COc1cc(Br)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656782409 566950660 /nfs/dbraw/zinc/95/06/60/566950660.db2.gz GELAMZWWOLPUHW-AWEZNQCLSA-N 2 1 383.330 3.375 10 0 GGAEMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)C1CC[NH2+]CC1 ZINC000583992946 567003850 /nfs/dbraw/zinc/00/38/50/567003850.db2.gz MXZWELVIUINGOX-CYBMUJFWSA-N 2 1 382.346 3.475 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(Br)c3)cc2)C1 ZINC000657594298 567074316 /nfs/dbraw/zinc/07/43/16/567074316.db2.gz IDVIMIVMLZYLFT-MRXNPFEDSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)C1 ZINC000657596103 567075007 /nfs/dbraw/zinc/07/50/07/567075007.db2.gz UWGPAJWAPBKEQA-OAHLLOKOSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3csc(Br)c3)cc2)C1 ZINC000657594296 567075100 /nfs/dbraw/zinc/07/51/00/567075100.db2.gz IDVIMIVMLZYLFT-INIZCTEOSA-N 2 1 381.339 3.367 10 0 GGAEMP Cc1c(Br)cncc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657594492 567075146 /nfs/dbraw/zinc/07/51/46/567075146.db2.gz AUEDBLXHJRXEOP-GOSISDBHSA-N 2 1 390.325 3.009 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3sccc3Br)cc2)C1 ZINC000657594849 567075383 /nfs/dbraw/zinc/07/53/83/567075383.db2.gz DICOFROCIUOMKM-OAHLLOKOSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3Br)cc2)C1 ZINC000657596740 567075490 /nfs/dbraw/zinc/07/54/90/567075490.db2.gz YJTLZGRUMIQYFB-GOSISDBHSA-N 2 1 375.310 3.306 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595981 567075666 /nfs/dbraw/zinc/07/56/66/567075666.db2.gz SUBFHAVFFXPTRI-KRWDZBQOSA-N 2 1 393.300 3.445 10 0 GGAEMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCCC[C@H]1C ZINC000659292349 567199698 /nfs/dbraw/zinc/19/96/98/567199698.db2.gz OSDWOQLKBLYYNN-GHMZBOCLSA-N 2 1 386.359 3.107 10 0 GGAEMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCCC[C@H]1C ZINC000659292349 567199706 /nfs/dbraw/zinc/19/97/06/567199706.db2.gz OSDWOQLKBLYYNN-GHMZBOCLSA-N 2 1 386.359 3.107 10 0 GGAEMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCCC[C@@H]1C ZINC000659292357 567200075 /nfs/dbraw/zinc/20/00/75/567200075.db2.gz OSDWOQLKBLYYNN-WDEREUQCSA-N 2 1 386.359 3.107 10 0 GGAEMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCCC[C@@H]1C ZINC000659292357 567200083 /nfs/dbraw/zinc/20/00/83/567200083.db2.gz OSDWOQLKBLYYNN-WDEREUQCSA-N 2 1 386.359 3.107 10 0 GGAEMP [NH3+]CCC[C@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1 ZINC000659322008 567206194 /nfs/dbraw/zinc/20/61/94/567206194.db2.gz HIECWAIKKCBKPD-ZDUSSCGKSA-N 2 1 394.338 3.324 10 0 GGAEMP [NH3+]CCC[C@@H](NC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1 ZINC000659322007 567206668 /nfs/dbraw/zinc/20/66/68/567206668.db2.gz HIECWAIKKCBKPD-CYBMUJFWSA-N 2 1 394.338 3.324 10 0 GGAEMP CN(CCC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)c1cc[nH+]cc1 ZINC000526054794 567286402 /nfs/dbraw/zinc/28/64/02/567286402.db2.gz PDEAAEDMVKTSTL-UHFFFAOYSA-N 2 1 391.313 3.371 10 0 GGAEMP Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617504310 567316368 /nfs/dbraw/zinc/31/63/68/567316368.db2.gz PHQIRSMGHCHQMW-ZDUSSCGKSA-N 2 1 380.583 3.182 10 0 GGAEMP Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617504310 567316374 /nfs/dbraw/zinc/31/63/74/567316374.db2.gz PHQIRSMGHCHQMW-ZDUSSCGKSA-N 2 1 380.583 3.182 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000617505533 567317406 /nfs/dbraw/zinc/31/74/06/567317406.db2.gz GRQYRWMPKCZWQU-QWHCGFSZSA-N 2 1 390.391 3.002 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H](C)c1ccc(Br)s1 ZINC000617505533 567317414 /nfs/dbraw/zinc/31/74/14/567317414.db2.gz GRQYRWMPKCZWQU-QWHCGFSZSA-N 2 1 390.391 3.002 10 0 GGAEMP COc1ccc(Br)cc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255206 567422616 /nfs/dbraw/zinc/42/26/16/567422616.db2.gz BCPVBNADHVJMPG-ZBFHGGJFSA-N 2 1 381.314 3.116 10 0 GGAEMP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296486 567426159 /nfs/dbraw/zinc/42/61/59/567426159.db2.gz LALAPZUPMVPNRR-GOEBONIOSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296486 567426163 /nfs/dbraw/zinc/42/61/63/567426163.db2.gz LALAPZUPMVPNRR-GOEBONIOSA-N 2 1 394.357 3.488 10 0 GGAEMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662293639 567426181 /nfs/dbraw/zinc/42/61/81/567426181.db2.gz GZHBLOFUSOUVJS-HNNXBMFYSA-N 2 1 380.330 3.099 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000662374508 567431969 /nfs/dbraw/zinc/43/19/69/567431969.db2.gz IZLQUCJSNGTWOE-UHFFFAOYSA-N 2 1 380.311 3.428 10 0 GGAEMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662457924 567437601 /nfs/dbraw/zinc/43/76/01/567437601.db2.gz GAOQJXWNCNWIRK-NSHDSACASA-N 2 1 386.359 3.108 10 0 GGAEMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662457924 567437606 /nfs/dbraw/zinc/43/76/06/567437606.db2.gz GAOQJXWNCNWIRK-NSHDSACASA-N 2 1 386.359 3.108 10 0 GGAEMP [NH3+][C@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1Br ZINC000662519375 567445099 /nfs/dbraw/zinc/44/50/99/567445099.db2.gz UKIZPVNUIUMZLG-AWEZNQCLSA-N 2 1 395.326 3.011 10 0 GGAEMP C[NH2+][C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588423 567451025 /nfs/dbraw/zinc/45/10/25/567451025.db2.gz BSDFTEZSVQIRHM-KDOFPFPSSA-N 2 1 384.351 3.492 10 0 GGAEMP Cc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000641773104 567455175 /nfs/dbraw/zinc/45/51/75/567455175.db2.gz DXRYRJSTJVRCLY-OAHLLOKOSA-N 2 1 396.373 3.351 10 0 GGAEMP C[NH+](C)Cc1cccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662683099 567455931 /nfs/dbraw/zinc/45/59/31/567455931.db2.gz NHYLVVHVIOKFPT-UHFFFAOYSA-N 2 1 380.311 3.428 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)c2cccc3c2CC[NH2+]C3)cc1Br ZINC000662796598 567462355 /nfs/dbraw/zinc/46/23/55/567462355.db2.gz ONCMGJUNANOYCZ-UHFFFAOYSA-N 2 1 388.309 3.409 10 0 GGAEMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc(Br)c1O ZINC000663346822 567499825 /nfs/dbraw/zinc/49/98/25/567499825.db2.gz OWHZLRXGFXMJPE-AWEZNQCLSA-N 2 1 383.330 3.375 10 0 GGAEMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(Br)c1O ZINC000663346822 567499831 /nfs/dbraw/zinc/49/98/31/567499831.db2.gz OWHZLRXGFXMJPE-AWEZNQCLSA-N 2 1 383.330 3.375 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000663442227 567508973 /nfs/dbraw/zinc/50/89/73/567508973.db2.gz FZDHEJWIYKAFOI-GJZGRUSLSA-N 2 1 399.377 3.081 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N[C@@H](C)c1ccc(Br)cc1 ZINC000663442227 567508977 /nfs/dbraw/zinc/50/89/77/567508977.db2.gz FZDHEJWIYKAFOI-GJZGRUSLSA-N 2 1 399.377 3.081 10 0 GGAEMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497361 567511667 /nfs/dbraw/zinc/51/16/67/567511667.db2.gz FUMTYUATHFIHIE-SGWRBKMISA-N 2 1 375.822 3.418 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552049115 567552721 /nfs/dbraw/zinc/55/27/21/567552721.db2.gz LTQSQZPIEKZSAM-FGTMMUONSA-N 2 1 394.357 3.031 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000552057007 567553129 /nfs/dbraw/zinc/55/31/29/567553129.db2.gz AKJSEXHJNZKUCH-YSHGAJCASA-N 2 1 381.358 3.063 10 0 GGAEMP Cc1cc(Br)cn2cc(CNC(=O)CC[C@H]3CCCC[N@@H+]3C)nc12 ZINC000504941803 567553441 /nfs/dbraw/zinc/55/34/41/567553441.db2.gz GMZSRCCUQJJJBP-MRXNPFEDSA-N 2 1 393.329 3.286 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)[C@H]2CCC[C@H]21 ZINC000552064017 567555393 /nfs/dbraw/zinc/55/53/93/567555393.db2.gz UYZQFRDBYPYOLV-OQIJWPOYSA-N 2 1 378.358 3.490 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000552248896 567570127 /nfs/dbraw/zinc/57/01/27/567570127.db2.gz WMUJALDOXQLXRG-XGXHKWSGSA-N 2 1 378.358 3.490 10 0 GGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340004 567578422 /nfs/dbraw/zinc/57/84/22/567578422.db2.gz ITCMHOSIQCEJMP-MAUKXSAKSA-N 2 1 377.330 3.146 10 0 GGAEMP Brc1cnn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000552333952 567579151 /nfs/dbraw/zinc/57/91/51/567579151.db2.gz UBOARXXYZQJGKW-LDLYASANSA-N 2 1 389.341 3.431 10 0 GGAEMP Brc1ccccc1CN1CCC([NH2+][C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000530177844 567580487 /nfs/dbraw/zinc/58/04/87/567580487.db2.gz IMFYCHVMHCTZQE-GOSISDBHSA-N 2 1 378.358 3.288 10 0 GGAEMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280026 567615746 /nfs/dbraw/zinc/61/57/46/567615746.db2.gz RHUDFLVXFFVFMV-VHTNMKBUSA-N 2 1 375.822 3.418 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000665637220 567631048 /nfs/dbraw/zinc/63/10/48/567631048.db2.gz YFLLJLHFCSIMJE-AWEZNQCLSA-N 2 1 389.371 3.407 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(Cl)c1Cl ZINC000665637220 567631055 /nfs/dbraw/zinc/63/10/55/567631055.db2.gz YFLLJLHFCSIMJE-AWEZNQCLSA-N 2 1 389.371 3.407 10 0 GGAEMP COc1c(Cl)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665926390 567644547 /nfs/dbraw/zinc/64/45/47/567644547.db2.gz GBWSDCPOVNXUFF-LBPRGKRZSA-N 2 1 391.343 3.396 10 0 GGAEMP COc1c(Cl)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000665926390 567644551 /nfs/dbraw/zinc/64/45/51/567644551.db2.gz GBWSDCPOVNXUFF-LBPRGKRZSA-N 2 1 391.343 3.396 10 0 GGAEMP Cc1c(Br)cccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665947608 567647511 /nfs/dbraw/zinc/64/75/11/567647511.db2.gz SSHPIAINGJNPCR-ZDUSSCGKSA-N 2 1 385.350 3.151 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@H]2CCC[C@@H]21 ZINC000572655317 567656597 /nfs/dbraw/zinc/65/65/97/567656597.db2.gz YVNYTDMDTXBQCY-LMSBXDPUSA-N 2 1 378.358 3.490 10 0 GGAEMP C[C@@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705950 567674551 /nfs/dbraw/zinc/67/45/51/567674551.db2.gz DZBFKBPPKHUTOO-OCCSQVGLSA-N 2 1 388.375 3.104 10 0 GGAEMP C[C@@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705950 567674554 /nfs/dbraw/zinc/67/45/54/567674554.db2.gz DZBFKBPPKHUTOO-OCCSQVGLSA-N 2 1 388.375 3.104 10 0 GGAEMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1(C)C ZINC000442880321 567714438 /nfs/dbraw/zinc/71/44/38/567714438.db2.gz YGVLYCXSXHKBCH-QGZVFWFLSA-N 2 1 396.373 3.278 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542340 567720482 /nfs/dbraw/zinc/72/04/82/567720482.db2.gz WKHYSAZGQSOVJL-LSDHHAIUSA-N 2 1 387.337 3.202 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541801 567720931 /nfs/dbraw/zinc/72/09/31/567720931.db2.gz YQKDOESWHFJELP-BBRMVZONSA-N 2 1 387.337 3.202 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(CNCc3ccsc3Br)cc2)C1 ZINC000623564205 567722262 /nfs/dbraw/zinc/72/22/62/567722262.db2.gz VRUXSWCKEGEKLS-MRXNPFEDSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccsc3Br)cc2)C1 ZINC000623564205 567722273 /nfs/dbraw/zinc/72/22/73/567722273.db2.gz VRUXSWCKEGEKLS-MRXNPFEDSA-N 2 1 381.339 3.367 10 0 GGAEMP Cc1sc(NC(=O)C[NH+]2CCC(C[NH3+])CC2)nc1-c1ccc(Cl)cc1 ZINC000574040353 567752535 /nfs/dbraw/zinc/75/25/35/567752535.db2.gz FMRLGPUYYLGGMB-UHFFFAOYSA-N 2 1 378.929 3.381 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313511 567771188 /nfs/dbraw/zinc/77/11/88/567771188.db2.gz UYVYLGGZBILOJL-DJIMGWMZSA-N 2 1 376.488 3.402 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313511 567771195 /nfs/dbraw/zinc/77/11/95/567771195.db2.gz UYVYLGGZBILOJL-DJIMGWMZSA-N 2 1 376.488 3.402 10 0 GGAEMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3cc(Br)ccc3o1)CCO2 ZINC000668277602 567805293 /nfs/dbraw/zinc/80/52/93/567805293.db2.gz LHQNNDVXMZENJH-UHFFFAOYSA-N 2 1 379.298 3.492 10 0 GGAEMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3cc(Br)ccc3o1)CCO2 ZINC000668277602 567805295 /nfs/dbraw/zinc/80/52/95/567805295.db2.gz LHQNNDVXMZENJH-UHFFFAOYSA-N 2 1 379.298 3.492 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901616 567806027 /nfs/dbraw/zinc/80/60/27/567806027.db2.gz RPERTQDCSYWEQN-GOEBONIOSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901812 567806056 /nfs/dbraw/zinc/80/60/56/567806056.db2.gz VVFAOLQFLJAJQT-PBHICJAKSA-N 2 1 380.330 3.242 10 0 GGAEMP Cc1nn(C)c2ncc(C[NH2+]Cc3ccccc3C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc12 ZINC000237779004 570396025 /nfs/dbraw/zinc/39/60/25/570396025.db2.gz IVONGRWHXSYKIS-CALCHBBNSA-N 2 1 393.535 3.176 10 0 GGAEMP CC(C)n1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](CCO)C2)c2ccccc21 ZINC000022914633 570571798 /nfs/dbraw/zinc/57/17/98/570571798.db2.gz PVTDDJFDXCTTHR-QFIPXVFZSA-N 2 1 398.595 3.185 10 0 GGAEMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3c[nH]nc3-c3ccc(F)cc3)cc2)CC1 ZINC000048782995 1405291886 /nfs/dbraw/zinc/29/18/86/1405291886.db2.gz GGWQFUGFAGRGHH-UHFFFAOYSA-N 2 1 393.510 3.253 10 0 GGAEMP CN(C)C(=O)COc1ccccc1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000068367702 1409382207 /nfs/dbraw/zinc/38/22/07/1409382207.db2.gz DLDLSNBRDRZOJK-UHFFFAOYSA-N 2 1 387.568 3.288 10 0 GGAEMP CCOc1ccc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1OC ZINC000069171345 1409580126 /nfs/dbraw/zinc/58/01/26/1409580126.db2.gz AYPYHKDMBHFHBL-NRFANRHFSA-N 2 1 383.536 3.172 10 0 GGAEMP CCOc1ccc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cc1OC ZINC000069171347 1409580265 /nfs/dbraw/zinc/58/02/65/1409580265.db2.gz AYPYHKDMBHFHBL-OAQYLSRUSA-N 2 1 383.536 3.172 10 0 GGAEMP CCOc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1OC ZINC000069785268 1409698888 /nfs/dbraw/zinc/69/88/88/1409698888.db2.gz AOARFBUUKGFAIV-UHFFFAOYSA-N 2 1 383.536 3.131 10 0 GGAEMP CCOc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)ccc1C ZINC000077203611 1409894965 /nfs/dbraw/zinc/89/49/65/1409894965.db2.gz GPWZHRFODSMORJ-IBGZPJMESA-N 2 1 376.545 3.274 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003866 1410060749 /nfs/dbraw/zinc/06/07/49/1410060749.db2.gz BXASEDOWLBMWTF-GUDVDZBRSA-N 2 1 380.536 3.431 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000090003866 1410060757 /nfs/dbraw/zinc/06/07/57/1410060757.db2.gz BXASEDOWLBMWTF-GUDVDZBRSA-N 2 1 380.536 3.431 10 0 GGAEMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cc(=O)oc3cc4c(cc23)CCC4)CC1 ZINC000095381586 1410310199 /nfs/dbraw/zinc/31/01/99/1410310199.db2.gz DVWJQTLLYGWHLC-UHFFFAOYSA-N 2 1 377.488 3.470 10 0 GGAEMP CCOc1c(Cl)cc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1OC ZINC000105451691 1411067279 /nfs/dbraw/zinc/06/72/79/1411067279.db2.gz IDRIFZZDNZXSDI-UHFFFAOYSA-N 2 1 383.964 3.111 10 0 GGAEMP COc1ccc(C[C@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000120636032 1413861655 /nfs/dbraw/zinc/86/16/55/1413861655.db2.gz FOJNDEHMNQAQRN-PGRDOPGGSA-N 2 1 398.547 3.381 10 0 GGAEMP COc1ccc(C[C@@H](C)[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)cc1OC ZINC000120636200 1413861689 /nfs/dbraw/zinc/86/16/89/1413861689.db2.gz FOJNDEHMNQAQRN-XMSQKQJNSA-N 2 1 398.547 3.381 10 0 GGAEMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120652565 1413866370 /nfs/dbraw/zinc/86/63/70/1413866370.db2.gz DRUBJKQRKZGBCO-UTKZUKDTSA-N 2 1 382.504 3.093 10 0 GGAEMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000129460707 1416213222 /nfs/dbraw/zinc/21/32/22/1416213222.db2.gz ATRXPYDRROUYMO-ZWOKBUDYSA-N 2 1 398.507 3.358 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC(c3ccccc3)c3ccccc3)cn2)CC1 ZINC000133578235 1416909273 /nfs/dbraw/zinc/90/92/73/1416909273.db2.gz FHWHQGSAYCDTBP-UHFFFAOYSA-N 2 1 387.531 3.150 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](Cc3ccccc3)c3ccccc3)cn2)CC1 ZINC000133596768 1416915380 /nfs/dbraw/zinc/91/53/80/1416915380.db2.gz BKZGAEFKBMDEPJ-QHCPKHFHSA-N 2 1 387.531 3.302 10 0 GGAEMP C[C@H](C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1c(Cl)cccc1Cl ZINC000134267820 1417047161 /nfs/dbraw/zinc/04/71/61/1417047161.db2.gz FEHDJCXSHJSTLD-CQSZACIVSA-N 2 1 394.350 3.429 10 0 GGAEMP Cc1cccc(-c2cccc(C[NH2+]Cc3cnc(N4CC[NH+](C)CC4)nc3)c2)c1 ZINC000134270374 1417047708 /nfs/dbraw/zinc/04/77/08/1417047708.db2.gz DJDHZQKTGKFFFH-UHFFFAOYSA-N 2 1 387.531 3.494 10 0 GGAEMP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(F)cc3Br)CC2)CC1 ZINC000135990362 1417283899 /nfs/dbraw/zinc/28/38/99/1417283899.db2.gz CQDXJPGTPYVUHP-UHFFFAOYSA-N 2 1 384.337 3.236 10 0 GGAEMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1OCC ZINC000136573128 1417327710 /nfs/dbraw/zinc/32/77/10/1417327710.db2.gz BFNKIVJIPNDLGX-VQTJNVASSA-N 2 1 376.541 3.342 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc(Cl)c1OC ZINC000136576835 1417327822 /nfs/dbraw/zinc/32/78/22/1417327822.db2.gz AOBSTCMASQLOMH-MSOLQXFVSA-N 2 1 382.932 3.215 10 0 GGAEMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CN(Cc2ccccc2)C1 ZINC000136901144 1417353854 /nfs/dbraw/zinc/35/38/54/1417353854.db2.gz HCWYBBIKUTZNJE-ZPZUNKDASA-N 2 1 393.575 3.253 10 0 GGAEMP COC[C@@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1cccc(OC)c1OC)CC2 ZINC000169782603 1425255848 /nfs/dbraw/zinc/25/58/48/1425255848.db2.gz CLXQBKFNRLBOFH-IBGZPJMESA-N 2 1 388.552 3.417 10 0 GGAEMP OC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc(Br)o1)CC2 ZINC000169782450 1425256092 /nfs/dbraw/zinc/25/60/92/1425256092.db2.gz NKWHPHMRCQGDRC-CQSZACIVSA-N 2 1 383.330 3.101 10 0 GGAEMP OC[C@H]1C[N@H+](C2CCC2)CC12CC[NH+](Cc1ccc(Br)o1)CC2 ZINC000169782450 1425256095 /nfs/dbraw/zinc/25/60/95/1425256095.db2.gz NKWHPHMRCQGDRC-CQSZACIVSA-N 2 1 383.330 3.101 10 0 GGAEMP NC(=O)c1cc[nH]c1[C@@H]1CCC[N@@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000169789307 1425257787 /nfs/dbraw/zinc/25/77/87/1425257787.db2.gz HOFSAFXNFWZNCY-LJQANCHMSA-N 2 1 380.536 3.000 10 0 GGAEMP NC(=O)c1cc[nH]c1[C@@H]1CCC[N@H+](C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000169789307 1425257804 /nfs/dbraw/zinc/25/78/04/1425257804.db2.gz HOFSAFXNFWZNCY-LJQANCHMSA-N 2 1 380.536 3.000 10 0 GGAEMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC000169789855 1425257925 /nfs/dbraw/zinc/25/79/25/1425257925.db2.gz IWXCUCYYTMWRPK-MRXNPFEDSA-N 2 1 382.932 3.147 10 0 GGAEMP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1cc(Br)ccc1F)CC2 ZINC000169789841 1425258035 /nfs/dbraw/zinc/25/80/35/1425258035.db2.gz WQKAHBUPHJKKTJ-OAHLLOKOSA-N 2 1 385.321 3.378 10 0 GGAEMP COC[C@H]1C[N@@H+](C)CC12CC[NH+](Cc1cc(Br)ccc1F)CC2 ZINC000169789841 1425258042 /nfs/dbraw/zinc/25/80/42/1425258042.db2.gz WQKAHBUPHJKKTJ-OAHLLOKOSA-N 2 1 385.321 3.378 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714434 1431214141 /nfs/dbraw/zinc/21/41/41/1431214141.db2.gz DWTCZDPNYZSBKD-BQFCYCMXSA-N 2 1 386.540 3.215 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185714434 1431214144 /nfs/dbraw/zinc/21/41/44/1431214144.db2.gz DWTCZDPNYZSBKD-BQFCYCMXSA-N 2 1 386.540 3.215 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000186309209 1431378350 /nfs/dbraw/zinc/37/83/50/1431378350.db2.gz CDHPNSATNGYRDU-KRWDZBQOSA-N 2 1 384.524 3.119 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000186309209 1431378352 /nfs/dbraw/zinc/37/83/52/1431378352.db2.gz CDHPNSATNGYRDU-KRWDZBQOSA-N 2 1 384.524 3.119 10 0 GGAEMP CC1CC[NH+]([C@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)c2cccs2)CC1 ZINC000236730690 1433377273 /nfs/dbraw/zinc/37/72/73/1433377273.db2.gz CMMJCEUMRGWZLR-WOJBJXKFSA-N 2 1 383.561 3.352 10 0 GGAEMP O=C(CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769939 1433514549 /nfs/dbraw/zinc/51/45/49/1433514549.db2.gz XAZYJTRDOALTOW-WBDAEOGXSA-N 2 1 377.532 3.478 10 0 GGAEMP C[C@@H]1CC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1ccnc1 ZINC000246914998 1433686977 /nfs/dbraw/zinc/68/69/77/1433686977.db2.gz BOQYGGIQNOBAEJ-DENIHFKCSA-N 2 1 380.536 3.247 10 0 GGAEMP C[C@H]1CC[N@@H+](CC(=O)N2CCC(Cc3ccccc3)CC2)C[C@H]1n1ccnc1 ZINC000246915047 1433686982 /nfs/dbraw/zinc/68/69/82/1433686982.db2.gz BOQYGGIQNOBAEJ-SIKLNZKXSA-N 2 1 380.536 3.247 10 0 GGAEMP COc1ccc([C@H](NC(=O)C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)C(C)C)cc1 ZINC000246924220 1433687843 /nfs/dbraw/zinc/68/78/43/1433687843.db2.gz BSDURJYCWWXUGE-NQSCKRDGSA-N 2 1 384.524 3.288 10 0 GGAEMP C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000247352473 1433712164 /nfs/dbraw/zinc/71/21/64/1433712164.db2.gz HAXCICBMHPANOI-DYXWJJEUSA-N 2 1 383.540 3.386 10 0 GGAEMP c1ncn(Cc2ccccc2C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000268742143 1434552059 /nfs/dbraw/zinc/55/20/59/1434552059.db2.gz DJIVAVLPCDSHTP-UHFFFAOYSA-N 2 1 375.520 3.123 10 0 GGAEMP C[N@@H+](Cc1cccc(OC[C@H](O)C[NH+]2CCCCCC2)c1)Cc1ccccn1 ZINC000012306574 204393595 /nfs/dbraw/zinc/39/35/95/204393595.db2.gz DPTMRROKHUGGLB-JOCHJYFZSA-N 2 1 383.536 3.329 10 0 GGAEMP C[N@@H+](Cc1cccc(OC[C@@H](O)C[NH+]2CCCCCC2)c1)Cc1ccccn1 ZINC000012306572 204393866 /nfs/dbraw/zinc/39/38/66/204393866.db2.gz DPTMRROKHUGGLB-QFIPXVFZSA-N 2 1 383.536 3.329 10 0 GGAEMP C[NH+](Cc1ccno1)Cc1ccc(OC[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000012313944 204395621 /nfs/dbraw/zinc/39/56/21/204395621.db2.gz SBNQLYAQDHGTJQ-NRFANRHFSA-N 2 1 395.503 3.178 10 0 GGAEMP C[NH+](Cc1ccno1)Cc1ccc(OC[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000012313944 204395626 /nfs/dbraw/zinc/39/56/26/204395626.db2.gz SBNQLYAQDHGTJQ-NRFANRHFSA-N 2 1 395.503 3.178 10 0 GGAEMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@H+](C)Cc2ccno2)cc1 ZINC000012313944 204395631 /nfs/dbraw/zinc/39/56/31/204395631.db2.gz SBNQLYAQDHGTJQ-NRFANRHFSA-N 2 1 395.503 3.178 10 0 GGAEMP C[NH+](Cc1ccccc1)C[C@H](O)COc1ccc(C[N@@H+](C)Cc2ccno2)cc1 ZINC000012313944 204395636 /nfs/dbraw/zinc/39/56/36/204395636.db2.gz SBNQLYAQDHGTJQ-NRFANRHFSA-N 2 1 395.503 3.178 10 0 GGAEMP OCC[NH2+]CCC[NH2+]Cc1ccc(-c2ccc(Br)cc2Cl)o1 ZINC000013733242 204511147 /nfs/dbraw/zinc/51/11/47/204511147.db2.gz LLKHFWYFMUQKML-UHFFFAOYSA-N 2 1 387.705 3.424 10 0 GGAEMP COc1cccc2cc(C[NH2+]Cc3ccc(N4CCC[N@@H+](C)CC4)nc3)oc21 ZINC000065566987 205238194 /nfs/dbraw/zinc/23/81/94/205238194.db2.gz IYASWYAUNVQEFL-UHFFFAOYSA-N 2 1 380.492 3.268 10 0 GGAEMP [NH3+]CC1(c2ccc(C(F)(F)F)cc2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000089223286 136175586 /nfs/dbraw/zinc/17/55/86/136175586.db2.gz DCECZUYKXVQMKI-UHFFFAOYSA-N 2 1 375.398 3.474 10 0 GGAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000123855918 564463475 /nfs/dbraw/zinc/46/34/75/564463475.db2.gz FHYIVOMQUNBRJC-JSGCOSHPSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@H+]1C ZINC000123855918 564463477 /nfs/dbraw/zinc/46/34/77/564463477.db2.gz FHYIVOMQUNBRJC-JSGCOSHPSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855918 564463478 /nfs/dbraw/zinc/46/34/78/564463478.db2.gz FHYIVOMQUNBRJC-JSGCOSHPSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855918 564463480 /nfs/dbraw/zinc/46/34/80/564463480.db2.gz FHYIVOMQUNBRJC-JSGCOSHPSA-N 2 1 386.309 3.331 10 0 GGAEMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000154575600 565044812 /nfs/dbraw/zinc/04/48/12/565044812.db2.gz PTTFGFTXXSWINK-GUYCJALGSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000154575600 565044816 /nfs/dbraw/zinc/04/48/16/565044816.db2.gz PTTFGFTXXSWINK-GUYCJALGSA-N 2 1 391.313 3.446 10 0 GGAEMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275420682 565409306 /nfs/dbraw/zinc/40/93/06/565409306.db2.gz DPSZDXQCQKYBCS-KGLIPLIRSA-N 2 1 391.313 3.215 10 0 GGAEMP C[C@@H](NCc1c(Br)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710270 565574208 /nfs/dbraw/zinc/57/42/08/565574208.db2.gz KHXCKBVAJKUZAB-ZBFHGGJFSA-N 2 1 377.330 3.183 10 0 GGAEMP Cc1nn(C)c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1Br ZINC000279031901 565591020 /nfs/dbraw/zinc/59/10/20/565591020.db2.gz BOWLQEJFYXFGIN-UHFFFAOYSA-N 2 1 377.330 3.377 10 0 GGAEMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(Br)c1 ZINC000322966532 565612030 /nfs/dbraw/zinc/61/20/30/565612030.db2.gz QAWSLVVITZJCFD-MQVJKMGUSA-N 2 1 381.314 3.341 10 0 GGAEMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000322966532 565612033 /nfs/dbraw/zinc/61/20/33/565612033.db2.gz QAWSLVVITZJCFD-MQVJKMGUSA-N 2 1 381.314 3.341 10 0 GGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693928 565621872 /nfs/dbraw/zinc/62/18/72/565621872.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CCN1C ZINC000191693928 565621874 /nfs/dbraw/zinc/62/18/74/565621874.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000191693928 565621878 /nfs/dbraw/zinc/62/18/78/565621878.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000191693928 565621880 /nfs/dbraw/zinc/62/18/80/565621880.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693928 565621883 /nfs/dbraw/zinc/62/18/83/565621883.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 2 1 396.373 3.200 10 0 GGAEMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(Br)cc2N2CCOCC2)CC[NH+]1C ZINC000191693928 565621886 /nfs/dbraw/zinc/62/18/86/565621886.db2.gz BMWSIHLWECTPML-QAPCUYQASA-N 2 1 396.373 3.200 10 0 GGAEMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284432 565761744 /nfs/dbraw/zinc/76/17/44/565761744.db2.gz SEFDYYQNANMIAB-GJZGRUSLSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284432 565761747 /nfs/dbraw/zinc/76/17/47/565761747.db2.gz SEFDYYQNANMIAB-GJZGRUSLSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284432 565761753 /nfs/dbraw/zinc/76/17/53/565761753.db2.gz SEFDYYQNANMIAB-GJZGRUSLSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000176284432 565761760 /nfs/dbraw/zinc/76/17/60/565761760.db2.gz SEFDYYQNANMIAB-GJZGRUSLSA-N 2 1 375.340 3.397 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000414074316 565891954 /nfs/dbraw/zinc/89/19/54/565891954.db2.gz OALXWNVEKOFHJO-HZPDHXFCSA-N 2 1 384.362 3.244 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000178753955 565936477 /nfs/dbraw/zinc/93/64/77/565936477.db2.gz QLBWELXQWNNGMM-KRWDZBQOSA-N 2 1 391.313 3.447 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(Br)c1 ZINC000178753955 565936484 /nfs/dbraw/zinc/93/64/84/565936484.db2.gz QLBWELXQWNNGMM-KRWDZBQOSA-N 2 1 391.313 3.447 10 0 GGAEMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)c1ccccc1Br ZINC000414733379 565957386 /nfs/dbraw/zinc/95/73/86/565957386.db2.gz ATKJOJSSRJSULE-JKSUJKDBSA-N 2 1 396.373 3.419 10 0 GGAEMP CCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1Br ZINC000414733373 565957737 /nfs/dbraw/zinc/95/77/37/565957737.db2.gz ATKJOJSSRJSULE-CVEARBPZSA-N 2 1 396.373 3.419 10 0 GGAEMP CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)c1ccccc1Br ZINC000414733377 565958042 /nfs/dbraw/zinc/95/80/42/565958042.db2.gz ATKJOJSSRJSULE-HZPDHXFCSA-N 2 1 396.373 3.419 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414904875 565965431 /nfs/dbraw/zinc/96/54/31/565965431.db2.gz MJYUMWYGFBLBNE-MRXNPFEDSA-N 2 1 377.330 3.483 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414936234 565965559 /nfs/dbraw/zinc/96/55/59/565965559.db2.gz GRDZRUPWUYKCSX-XIKOKIGWSA-N 2 1 377.330 3.339 10 0 GGAEMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(Br)c1OC(F)F ZINC000414964973 565966949 /nfs/dbraw/zinc/96/69/49/565966949.db2.gz VEEAJVFXGWANQC-BXKDBHETSA-N 2 1 379.245 3.147 10 0 GGAEMP COc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414951657 565967047 /nfs/dbraw/zinc/96/70/47/565967047.db2.gz HWXPQGORNDFHNR-NOZJJQNGSA-N 2 1 392.135 3.308 10 0 GGAEMP Clc1cc(Br)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061597 565971790 /nfs/dbraw/zinc/97/17/90/565971790.db2.gz YTMJVUZNKYCERO-UHFFFAOYSA-N 2 1 386.765 3.409 10 0 GGAEMP Clc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000415054463 565972149 /nfs/dbraw/zinc/97/21/49/565972149.db2.gz NNBJPRJYLXXKPK-UHFFFAOYSA-N 2 1 386.765 3.409 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415107783 565973374 /nfs/dbraw/zinc/97/33/74/565973374.db2.gz LQEWGPJQGIPKMO-FUHWJXTLSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000415122645 565974597 /nfs/dbraw/zinc/97/45/97/565974597.db2.gz KCDXRRBVFRYJGV-WMZOPIPTSA-N 2 1 383.330 3.176 10 0 GGAEMP C[N@H+]1CCCC[C@H]1CN1CCN(C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000245614170 565999044 /nfs/dbraw/zinc/99/90/44/565999044.db2.gz CLUINTGQHDSLSZ-QFBILLFUSA-N 2 1 386.367 3.129 10 0 GGAEMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883562 566014759 /nfs/dbraw/zinc/01/47/59/566014759.db2.gz JYKNAUJWKSNOOT-CJNGLKHVSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883562 566014765 /nfs/dbraw/zinc/01/47/65/566014765.db2.gz JYKNAUJWKSNOOT-CJNGLKHVSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883562 566014771 /nfs/dbraw/zinc/01/47/71/566014771.db2.gz JYKNAUJWKSNOOT-CJNGLKHVSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@H](C)C1 ZINC000179883562 566014776 /nfs/dbraw/zinc/01/47/76/566014776.db2.gz JYKNAUJWKSNOOT-CJNGLKHVSA-N 2 1 383.330 3.382 10 0 GGAEMP Cc1cc(Br)ccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246585267 566034124 /nfs/dbraw/zinc/03/41/24/566034124.db2.gz CKGZTUAMTNCNGJ-WMLDXEAASA-N 2 1 380.330 3.112 10 0 GGAEMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000246936841 566047447 /nfs/dbraw/zinc/04/74/47/566047447.db2.gz HJDAQPBIPPDKAB-JKSUJKDBSA-N 2 1 384.307 3.403 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)Cc2nnc(-c3ccc(Br)o3)o2)[C@@H](C)C1 ZINC000247268365 566056339 /nfs/dbraw/zinc/05/63/39/566056339.db2.gz VZCAKALRVKXAJY-RYUDHWBXSA-N 2 1 383.290 3.254 10 0 GGAEMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000261851871 566138156 /nfs/dbraw/zinc/13/81/56/566138156.db2.gz VWCLVOFRLZTWEW-GDBMZVCRSA-N 2 1 384.351 3.449 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261875957 566138578 /nfs/dbraw/zinc/13/85/78/566138578.db2.gz DSKFZPCEJGDRFK-KZNAEPCWSA-N 2 1 381.358 3.473 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261878824 566139512 /nfs/dbraw/zinc/13/95/12/566139512.db2.gz FCLYGFVJDKWTKV-KZNAEPCWSA-N 2 1 381.358 3.473 10 0 GGAEMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181686734 566158229 /nfs/dbraw/zinc/15/82/29/566158229.db2.gz VJYGFZOTLUSFPM-ZDUSSCGKSA-N 2 1 394.313 3.010 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H]3CCCc4sc(Cl)cc43)cn2)CC1 ZINC000291779512 566234679 /nfs/dbraw/zinc/23/46/79/566234679.db2.gz UQZWNXSIIBMNSJ-OAHLLOKOSA-N 2 1 377.945 3.111 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383547 566276190 /nfs/dbraw/zinc/27/61/90/566276190.db2.gz DJVRCQFSRGPOPF-PBHICJAKSA-N 2 1 380.330 3.242 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397118 566276779 /nfs/dbraw/zinc/27/67/79/566276779.db2.gz MNBKHEFAOYLBGT-CRAIPNDOSA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397118 566276782 /nfs/dbraw/zinc/27/67/82/566276782.db2.gz MNBKHEFAOYLBGT-CRAIPNDOSA-N 2 1 384.351 3.416 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383552 566276849 /nfs/dbraw/zinc/27/68/49/566276849.db2.gz DJVRCQFSRGPOPF-YOEHRIQHSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404380 566276930 /nfs/dbraw/zinc/27/69/30/566276930.db2.gz RZPHICRVTOVTQV-DOTOQJQBSA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404380 566276936 /nfs/dbraw/zinc/27/69/36/566276936.db2.gz RZPHICRVTOVTQV-DOTOQJQBSA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397673 566276955 /nfs/dbraw/zinc/27/69/55/566276955.db2.gz MTZHEUDJBWUPTD-WMLDXEAASA-N 2 1 380.330 3.242 10 0 GGAEMP C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(C)(=O)=O ZINC000575848801 566292629 /nfs/dbraw/zinc/29/26/29/566292629.db2.gz RXKGAIFFHYLOAK-QKHUXGNCSA-N 2 1 384.973 3.277 10 0 GGAEMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1C(F)(F)F ZINC000575989063 566305710 /nfs/dbraw/zinc/30/57/10/566305710.db2.gz LRQGCYPFRQJQPV-TXEJJXNPSA-N 2 1 375.822 3.229 10 0 GGAEMP CN(C(=O)c1csc(C(F)(F)F)c1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625502684 566329491 /nfs/dbraw/zinc/32/94/91/566329491.db2.gz CWFOUWRXPNDQRD-CQSZACIVSA-N 2 1 375.460 3.007 10 0 GGAEMP CN(C(=O)c1csc(C(F)(F)F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000625502684 566329496 /nfs/dbraw/zinc/32/94/96/566329496.db2.gz CWFOUWRXPNDQRD-CQSZACIVSA-N 2 1 375.460 3.007 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000556891184 566341015 /nfs/dbraw/zinc/34/10/15/566341015.db2.gz BSSJIZPRLVENRO-BBWFWOEESA-N 2 1 377.330 3.368 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000556891184 566341020 /nfs/dbraw/zinc/34/10/20/566341020.db2.gz BSSJIZPRLVENRO-BBWFWOEESA-N 2 1 377.330 3.368 10 0 GGAEMP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000626974877 566457984 /nfs/dbraw/zinc/45/79/84/566457984.db2.gz XMUYQBCCBPZOEJ-YVEFUNNKSA-N 2 1 385.339 3.007 10 0 GGAEMP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422941503 566466584 /nfs/dbraw/zinc/46/65/84/566466584.db2.gz JIVYPNYJTBXJBG-UONOGXRCSA-N 2 1 375.314 3.434 10 0 GGAEMP FC(F)(F)c1cc(Br)ccc1CN[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423020660 566468889 /nfs/dbraw/zinc/46/88/89/566468889.db2.gz CMWHWLLVDVIQRX-GJZGRUSLSA-N 2 1 393.247 3.325 10 0 GGAEMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Br)c1O ZINC000650723291 566473264 /nfs/dbraw/zinc/47/32/64/566473264.db2.gz KUZOUIGNHDOARZ-IIAWOOMASA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(Br)c1O ZINC000650723291 566473270 /nfs/dbraw/zinc/47/32/70/566473270.db2.gz KUZOUIGNHDOARZ-IIAWOOMASA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(Br)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721826 566473399 /nfs/dbraw/zinc/47/33/99/566473399.db2.gz CJJLYHTWZVYDPH-JFIYKMOQSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723689 566474212 /nfs/dbraw/zinc/47/42/12/566474212.db2.gz RZQCJVNRDADUCA-OLMNPRSZSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723209 566474274 /nfs/dbraw/zinc/47/42/74/566474274.db2.gz JGULZTWMDUNULH-JZXOWHBKSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723209 566474282 /nfs/dbraw/zinc/47/42/82/566474282.db2.gz JGULZTWMDUNULH-JZXOWHBKSA-N 2 1 383.330 3.319 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722324 566474308 /nfs/dbraw/zinc/47/43/08/566474308.db2.gz POBNFIPLKBGABF-FVQBIDKESA-N 2 1 397.313 3.039 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722324 566474313 /nfs/dbraw/zinc/47/43/13/566474313.db2.gz POBNFIPLKBGABF-FVQBIDKESA-N 2 1 397.313 3.039 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650722565 566474327 /nfs/dbraw/zinc/47/43/27/566474327.db2.gz WOFOVEVWFAENRA-YXJHDRRASA-N 2 1 383.330 3.319 10 0 GGAEMP COc1sc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650723069 566474431 /nfs/dbraw/zinc/47/44/31/566474431.db2.gz HBYXCBNDCDHGGT-DFBGVHRSSA-N 2 1 389.359 3.380 10 0 GGAEMP COc1sc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650723069 566474435 /nfs/dbraw/zinc/47/44/35/566474435.db2.gz HBYXCBNDCDHGGT-DFBGVHRSSA-N 2 1 389.359 3.380 10 0 GGAEMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423149043 566479051 /nfs/dbraw/zinc/47/90/51/566479051.db2.gz AESRZJSPQTZSNG-UONOGXRCSA-N 2 1 378.314 3.067 10 0 GGAEMP Brc1cccc2c1C[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423516754 566492559 /nfs/dbraw/zinc/49/25/59/566492559.db2.gz XJLKIEZFHXEWSI-LXPRWKDFSA-N 2 1 392.385 3.112 10 0 GGAEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)c(F)c1 ZINC000423519544 566492753 /nfs/dbraw/zinc/49/27/53/566492753.db2.gz PYCMOWCMMOCBDV-IUDNXUCKSA-N 2 1 384.337 3.455 10 0 GGAEMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525080 566493213 /nfs/dbraw/zinc/49/32/13/566493213.db2.gz XUQDAAMRJRHNHF-ZOJXTTQQSA-N 2 1 396.348 3.382 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000449150496 566533229 /nfs/dbraw/zinc/53/32/29/566533229.db2.gz RLGROFQLSZKZLJ-SUMWQHHRSA-N 2 1 385.321 3.402 10 0 GGAEMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578985824 566569933 /nfs/dbraw/zinc/56/99/33/566569933.db2.gz VSWICSRNCHJGCF-YCPHGPKFSA-N 2 1 377.838 3.102 10 0 GGAEMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578985824 566569935 /nfs/dbraw/zinc/56/99/35/566569935.db2.gz VSWICSRNCHJGCF-YCPHGPKFSA-N 2 1 377.838 3.102 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(Br)cc2)C1 ZINC000652360194 566605906 /nfs/dbraw/zinc/60/59/06/566605906.db2.gz CLPHRPCBHHNLBD-KBAYOESNSA-N 2 1 383.330 3.189 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000513661373 566616300 /nfs/dbraw/zinc/61/63/00/566616300.db2.gz OMBJYUJNAQYMTG-IMJJTQAJSA-N 2 1 383.330 3.429 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000513661373 566616304 /nfs/dbraw/zinc/61/63/04/566616304.db2.gz OMBJYUJNAQYMTG-IMJJTQAJSA-N 2 1 383.330 3.429 10 0 GGAEMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708562 566619168 /nfs/dbraw/zinc/61/91/68/566619168.db2.gz TZJUHBAEWKMBNP-FVQBIDKESA-N 2 1 383.330 3.429 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000513713695 566619721 /nfs/dbraw/zinc/61/97/21/566619721.db2.gz RWONHAOKMPEPNJ-CWRNSKLLSA-N 2 1 381.314 3.183 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535865 566664043 /nfs/dbraw/zinc/66/40/43/566664043.db2.gz FYQWZGBMHXYFOM-LNSITVRQSA-N 2 1 389.284 3.446 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535865 566664052 /nfs/dbraw/zinc/66/40/52/566664052.db2.gz FYQWZGBMHXYFOM-LNSITVRQSA-N 2 1 389.284 3.446 10 0 GGAEMP Brc1ccc(S[C@@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547199 566664425 /nfs/dbraw/zinc/66/44/25/566664425.db2.gz FIZXSXSBCFUQOB-GDBMZVCRSA-N 2 1 383.355 3.137 10 0 GGAEMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000629542776 566664492 /nfs/dbraw/zinc/66/44/92/566664492.db2.gz LNDAMKYMDMDWCW-RHSMWYFYSA-N 2 1 394.357 3.092 10 0 GGAEMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581681 566667129 /nfs/dbraw/zinc/66/71/29/566667129.db2.gz FVHQVFWJBQBYPM-AAEUAGOBSA-N 2 1 379.302 3.404 10 0 GGAEMP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)[C@H]21 ZINC000631665028 566814694 /nfs/dbraw/zinc/81/46/94/566814694.db2.gz OJGJTTIMVGWUGT-FPWFTKFVSA-N 2 1 391.353 3.320 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccccc2)cc1Br ZINC000581942229 566816737 /nfs/dbraw/zinc/81/67/37/566816737.db2.gz FPDYLJHRQQUJEA-INIZCTEOSA-N 2 1 376.298 3.192 10 0 GGAEMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000582241807 566844094 /nfs/dbraw/zinc/84/40/94/566844094.db2.gz KMPCMNWBTFGRHR-LJISPDSOSA-N 2 1 384.351 3.491 10 0 GGAEMP COc1c(Br)cc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000563417783 566881996 /nfs/dbraw/zinc/88/19/96/566881996.db2.gz MBKIBLHVYFMIFO-UHFFFAOYSA-N 2 1 392.135 3.406 10 0 GGAEMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(Br)c1O ZINC000656783373 566949863 /nfs/dbraw/zinc/94/98/63/566949863.db2.gz QKIHPUXBXYXBIG-AWEZNQCLSA-N 2 1 383.330 3.375 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000565263347 567051999 /nfs/dbraw/zinc/05/19/99/567051999.db2.gz WFPHDVLQFMELLJ-BZSNNMDCSA-N 2 1 394.357 3.031 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000565263349 567052301 /nfs/dbraw/zinc/05/23/01/567052301.db2.gz WFPHDVLQFMELLJ-OKZBNKHCSA-N 2 1 394.357 3.031 10 0 GGAEMP C[C@@H]([NH2+]Cc1ccc(I)cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000584768847 567069075 /nfs/dbraw/zinc/06/90/75/567069075.db2.gz CNJDZSPAROIMEW-MNOVXSKESA-N 2 1 378.685 3.422 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3)cc2)C1 ZINC000657593777 567074112 /nfs/dbraw/zinc/07/41/12/567074112.db2.gz KRFPFOMOQVNPAU-LJQANCHMSA-N 2 1 375.310 3.306 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)C1 ZINC000657593346 567074270 /nfs/dbraw/zinc/07/42/70/567074270.db2.gz GBOOFHLIIQENHL-LJQANCHMSA-N 2 1 375.310 3.306 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Br)c3)cc2)C1 ZINC000657595983 567074666 /nfs/dbraw/zinc/07/46/66/567074666.db2.gz SUBFHAVFFXPTRI-QGZVFWFLSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3Br)cc2)C1 ZINC000657596741 567074923 /nfs/dbraw/zinc/07/49/23/567074923.db2.gz YJTLZGRUMIQYFB-SFHVURJKSA-N 2 1 375.310 3.306 10 0 GGAEMP Cc1c(Br)cncc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657594493 567075219 /nfs/dbraw/zinc/07/52/19/567075219.db2.gz AUEDBLXHJRXEOP-SFHVURJKSA-N 2 1 390.325 3.009 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@H]2CCC[C@H]21 ZINC000453367423 567079556 /nfs/dbraw/zinc/07/95/56/567079556.db2.gz MMFZCPKHVCFETQ-VLDUQVBPSA-N 2 1 399.348 3.202 10 0 GGAEMP CCOc1cc(CNCc2cnc3n2CCCC3)cc(Br)c1O ZINC000565996109 567118289 /nfs/dbraw/zinc/11/82/89/567118289.db2.gz GTYPFQOVMBVPNO-UHFFFAOYSA-N 2 1 380.286 3.376 10 0 GGAEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141088 567123561 /nfs/dbraw/zinc/12/35/61/567123561.db2.gz WEWNCWNWZSWAHK-RDTXWAMCSA-N 2 1 390.325 3.262 10 0 GGAEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140619 567123794 /nfs/dbraw/zinc/12/37/94/567123794.db2.gz VNODHFDKAYLBER-AUUYWEPGSA-N 2 1 390.325 3.262 10 0 GGAEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cncc(Br)c1 ZINC000658140620 567124661 /nfs/dbraw/zinc/12/46/61/567124661.db2.gz VNODHFDKAYLBER-IFXJQAMLSA-N 2 1 390.325 3.262 10 0 GGAEMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCCC[C@@H]1C ZINC000659292354 567199735 /nfs/dbraw/zinc/19/97/35/567199735.db2.gz OSDWOQLKBLYYNN-QWRGUYRKSA-N 2 1 386.359 3.107 10 0 GGAEMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCCC[C@@H]1C ZINC000659292354 567199741 /nfs/dbraw/zinc/19/97/41/567199741.db2.gz OSDWOQLKBLYYNN-QWRGUYRKSA-N 2 1 386.359 3.107 10 0 GGAEMP C[NH+](C)CCc1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000659284441 567200580 /nfs/dbraw/zinc/20/05/80/567200580.db2.gz DWRPXFQXKWQIKY-UHFFFAOYSA-N 2 1 394.338 3.470 10 0 GGAEMP Brc1ccc(-n2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)cc1 ZINC000566915318 567201635 /nfs/dbraw/zinc/20/16/35/567201635.db2.gz IKLKLPAQKCNHRO-IYBDPMFKSA-N 2 1 375.314 3.066 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)cc1Br ZINC000567586064 567259248 /nfs/dbraw/zinc/25/92/48/567259248.db2.gz FAHPJQPJYSPUKU-INIZCTEOSA-N 2 1 394.288 3.331 10 0 GGAEMP CN1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638838390 567275104 /nfs/dbraw/zinc/27/51/04/567275104.db2.gz HVKLIPRAHZADJM-OALUTQOASA-N 2 1 378.358 3.436 10 0 GGAEMP Cc1sc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000617507932 567316309 /nfs/dbraw/zinc/31/63/09/567316309.db2.gz OZPDEYBRJQYBSY-NSHDSACASA-N 2 1 390.391 3.129 10 0 GGAEMP Cc1sc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000617507932 567316317 /nfs/dbraw/zinc/31/63/17/567316317.db2.gz OZPDEYBRJQYBSY-NSHDSACASA-N 2 1 390.391 3.129 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1Br ZINC000617504177 567316868 /nfs/dbraw/zinc/31/68/68/567316868.db2.gz JEEXRWICJNXKFG-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1Br ZINC000617504177 567316872 /nfs/dbraw/zinc/31/68/72/567316872.db2.gz JEEXRWICJNXKFG-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)ccc1Cl ZINC000617503775 567317536 /nfs/dbraw/zinc/31/75/36/567317536.db2.gz YTTQPWFMBGCPFN-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)ccc1Cl ZINC000617503775 567317541 /nfs/dbraw/zinc/31/75/41/567317541.db2.gz YTTQPWFMBGCPFN-LBPRGKRZSA-N 2 1 390.753 3.104 10 0 GGAEMP Brc1sccc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000527650191 567354327 /nfs/dbraw/zinc/35/43/27/567354327.db2.gz NYISMMFQROIGMG-UHFFFAOYSA-N 2 1 395.370 3.208 10 0 GGAEMP O[C@H]1CC[N@H+](C2CC[NH+](CC/C=C\c3ccc(Br)cc3)CC2)C1 ZINC000662159408 567415200 /nfs/dbraw/zinc/41/52/00/567415200.db2.gz ZUFTUGJKPURYOO-SOHNTWGLSA-N 2 1 379.342 3.383 10 0 GGAEMP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248900 567422086 /nfs/dbraw/zinc/42/20/86/567422086.db2.gz FDKLQEJCEPDFQZ-CQSZACIVSA-N 2 1 386.323 3.165 10 0 GGAEMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248900 567422093 /nfs/dbraw/zinc/42/20/93/567422093.db2.gz FDKLQEJCEPDFQZ-CQSZACIVSA-N 2 1 386.323 3.165 10 0 GGAEMP CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248899 567422455 /nfs/dbraw/zinc/42/24/55/567422455.db2.gz FDKLQEJCEPDFQZ-AWEZNQCLSA-N 2 1 386.323 3.165 10 0 GGAEMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248899 567422460 /nfs/dbraw/zinc/42/24/60/567422460.db2.gz FDKLQEJCEPDFQZ-AWEZNQCLSA-N 2 1 386.323 3.165 10 0 GGAEMP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296488 567425618 /nfs/dbraw/zinc/42/56/18/567425618.db2.gz LALAPZUPMVPNRR-HOCLYGCPSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296488 567425623 /nfs/dbraw/zinc/42/56/23/567425623.db2.gz LALAPZUPMVPNRR-HOCLYGCPSA-N 2 1 394.357 3.488 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cccc(Br)c1 ZINC000662294543 567426102 /nfs/dbraw/zinc/42/61/02/567426102.db2.gz QRPAZWWRUJDVRK-MRXNPFEDSA-N 2 1 394.357 3.489 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000662321254 567426936 /nfs/dbraw/zinc/42/69/36/567426936.db2.gz AIXXXGMZNAZGEM-MRXNPFEDSA-N 2 1 389.309 3.010 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000662321254 567426941 /nfs/dbraw/zinc/42/69/41/567426941.db2.gz AIXXXGMZNAZGEM-MRXNPFEDSA-N 2 1 389.309 3.010 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000662323145 567427607 /nfs/dbraw/zinc/42/76/07/567427607.db2.gz RCWXLQXYCOWQGL-OAHLLOKOSA-N 2 1 388.339 3.365 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000662323145 567427608 /nfs/dbraw/zinc/42/76/08/567427608.db2.gz RCWXLQXYCOWQGL-OAHLLOKOSA-N 2 1 388.339 3.365 10 0 GGAEMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662350470 567429061 /nfs/dbraw/zinc/42/90/61/567429061.db2.gz BTRDYGXSUCOOTL-LLVKDONJSA-N 2 1 386.359 3.108 10 0 GGAEMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662350470 567429064 /nfs/dbraw/zinc/42/90/64/567429064.db2.gz BTRDYGXSUCOOTL-LLVKDONJSA-N 2 1 386.359 3.108 10 0 GGAEMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662450226 567438141 /nfs/dbraw/zinc/43/81/41/567438141.db2.gz LFXDIWBJZOBTOY-GHMZBOCLSA-N 2 1 386.359 3.107 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662472575 567439263 /nfs/dbraw/zinc/43/92/63/567439263.db2.gz AZHAJHLPDRWDLW-UHFFFAOYSA-N 2 1 398.370 3.062 10 0 GGAEMP [NH3+][C@@H](C(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1Br ZINC000662519376 567444769 /nfs/dbraw/zinc/44/47/69/567444769.db2.gz UKIZPVNUIUMZLG-CQSZACIVSA-N 2 1 395.326 3.011 10 0 GGAEMP [NH3+]CCCN(Cc1ccccc1)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662559093 567448891 /nfs/dbraw/zinc/44/88/91/567448891.db2.gz QWMMBXVVIBSOSL-UHFFFAOYSA-N 2 1 394.338 3.105 10 0 GGAEMP C[NH2+][C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1cccc(Cl)c1Cl ZINC000662588422 567451543 /nfs/dbraw/zinc/45/15/43/567451543.db2.gz BSDFTEZSVQIRHM-KBXCAEBGSA-N 2 1 384.351 3.492 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@H]1C ZINC000662743904 567460519 /nfs/dbraw/zinc/46/05/19/567460519.db2.gz WZXTUZKPQNZWEZ-MNOVXSKESA-N 2 1 386.359 3.059 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@H]1C ZINC000662743904 567460526 /nfs/dbraw/zinc/46/05/26/567460526.db2.gz WZXTUZKPQNZWEZ-MNOVXSKESA-N 2 1 386.359 3.059 10 0 GGAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc3cc(Cl)sc3[nH]2)CC1 ZINC000570984813 567528196 /nfs/dbraw/zinc/52/81/96/567528196.db2.gz MLLLNEJWYVHAPA-UHFFFAOYSA-N 2 1 375.885 3.282 10 0 GGAEMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccsc3Br)CC2)CC1 ZINC000529545025 567528511 /nfs/dbraw/zinc/52/85/11/567528511.db2.gz ZEYGJNHENMGCLA-UHFFFAOYSA-N 2 1 386.403 3.360 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552049114 567553700 /nfs/dbraw/zinc/55/37/00/567553700.db2.gz LTQSQZPIEKZSAM-BZSNNMDCSA-N 2 1 394.357 3.031 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3nccc4cc(Br)ccc43)CC2)C1 ZINC000664596269 567577522 /nfs/dbraw/zinc/57/75/22/567577522.db2.gz IHQVVWQXIYKMLM-INIZCTEOSA-N 2 1 376.298 3.033 10 0 GGAEMP Brc1cnn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000552333953 567579124 /nfs/dbraw/zinc/57/91/24/567579124.db2.gz UBOARXXYZQJGKW-REPLKXPHSA-N 2 1 389.341 3.431 10 0 GGAEMP COc1c(Br)cccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249275 567587834 /nfs/dbraw/zinc/58/78/34/567587834.db2.gz UNGBKZYHXDHVSY-MRXNPFEDSA-N 2 1 383.330 3.048 10 0 GGAEMP COc1sc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248167 567587889 /nfs/dbraw/zinc/58/78/89/567587889.db2.gz HPXTVRQAZLCXQQ-ZDUSSCGKSA-N 2 1 389.359 3.110 10 0 GGAEMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Br)c1OC ZINC000572038566 567608976 /nfs/dbraw/zinc/60/89/76/567608976.db2.gz MCPQVVCJNGCCHE-GASCZTMLSA-N 2 1 383.330 3.288 10 0 GGAEMP CC[C@@H](c1ccc(Br)cc1)N1CCN(CCc2cncn2C)CC1 ZINC000459344871 567617107 /nfs/dbraw/zinc/61/71/07/567617107.db2.gz VFGUJLZQAXMANA-IBGZPJMESA-N 2 1 391.357 3.494 10 0 GGAEMP CC1(C)CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292575 567617231 /nfs/dbraw/zinc/61/72/31/567617231.db2.gz DCHSESIOOXZJAQ-OAHLLOKOSA-N 2 1 391.313 3.306 10 0 GGAEMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3cc(Br)ccc31)CCO2 ZINC000645385205 567620966 /nfs/dbraw/zinc/62/09/66/567620966.db2.gz QKKUAOCCTBISIS-UHFFFAOYSA-N 2 1 376.298 3.298 10 0 GGAEMP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000666396470 567670765 /nfs/dbraw/zinc/67/07/65/567670765.db2.gz ACSGCZHDOKJURE-HNNXBMFYSA-N 2 1 399.377 3.459 10 0 GGAEMP Cc1cc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000666396470 567670770 /nfs/dbraw/zinc/67/07/70/567670770.db2.gz ACSGCZHDOKJURE-HNNXBMFYSA-N 2 1 399.377 3.459 10 0 GGAEMP C[C@H](NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705949 567674533 /nfs/dbraw/zinc/67/45/33/567674533.db2.gz DZBFKBPPKHUTOO-JSGCOSHPSA-N 2 1 388.375 3.104 10 0 GGAEMP C[C@H](NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705949 567674534 /nfs/dbraw/zinc/67/45/34/567674534.db2.gz DZBFKBPPKHUTOO-JSGCOSHPSA-N 2 1 388.375 3.104 10 0 GGAEMP COc1cc(Br)ccc1CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105683 567695463 /nfs/dbraw/zinc/69/54/63/567695463.db2.gz CLEANZVMUBOADH-UHFFFAOYSA-N 2 1 397.357 3.187 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1(C)C ZINC000623392529 567706613 /nfs/dbraw/zinc/70/66/13/567706613.db2.gz GVUXMOQBUUVEQU-MRXNPFEDSA-N 2 1 382.346 3.031 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)CC1(C)C ZINC000623396448 567707807 /nfs/dbraw/zinc/70/78/07/567707807.db2.gz SKAXCBAGHYHESP-MRXNPFEDSA-N 2 1 382.346 3.031 10 0 GGAEMP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412881 567709334 /nfs/dbraw/zinc/70/93/34/567709334.db2.gz BBOWOFOAXQBJQV-MRXNPFEDSA-N 2 1 396.373 3.260 10 0 GGAEMP C[N@@H+]1CC[C@H](NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1(C)C ZINC000623443576 567710627 /nfs/dbraw/zinc/71/06/27/567710627.db2.gz FUNBZHMJINNABR-AWEZNQCLSA-N 2 1 378.318 3.197 10 0 GGAEMP C[N@H+]1CC[C@H](NCc2n[nH]c(-c3ccc(Br)cc3)n2)CC1(C)C ZINC000623443576 567710630 /nfs/dbraw/zinc/71/06/30/567710630.db2.gz FUNBZHMJINNABR-AWEZNQCLSA-N 2 1 378.318 3.197 10 0 GGAEMP COc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541407 567720608 /nfs/dbraw/zinc/72/06/08/567720608.db2.gz HYXJNBMQWVENKH-HZPDHXFCSA-N 2 1 399.373 3.071 10 0 GGAEMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542229 567720748 /nfs/dbraw/zinc/72/07/48/567720748.db2.gz SCSNILHNECWLNA-WMLDXEAASA-N 2 1 399.373 3.071 10 0 GGAEMP CC(C)Cc1ncc(C[NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)s1 ZINC000533449444 567770433 /nfs/dbraw/zinc/77/04/33/567770433.db2.gz MEZZCYNMWRQPJS-KRWDZBQOSA-N 2 1 378.611 3.481 10 0 GGAEMP Cc1c[nH+]cn1CC(=O)N(CCC[NH+](C)C)Cc1ccc(Cl)c(Cl)c1 ZINC000624595333 567790517 /nfs/dbraw/zinc/79/05/17/567790517.db2.gz AIPYBQMIJFEXAE-UHFFFAOYSA-N 2 1 383.323 3.479 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(I)cc2)CC1(C)C ZINC000598980830 567802262 /nfs/dbraw/zinc/80/22/62/567802262.db2.gz YFSRLRWFIXHXEI-CQSZACIVSA-N 2 1 388.293 3.132 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902024 567805678 /nfs/dbraw/zinc/80/56/78/567805678.db2.gz YUGZVIJDBMKWKX-CJNGLKHVSA-N 2 1 398.320 3.381 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902905 567806152 /nfs/dbraw/zinc/80/61/52/567806152.db2.gz DJUGEOYUEUBYDV-PBHICJAKSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902906 567806266 /nfs/dbraw/zinc/80/62/66/567806266.db2.gz DJUGEOYUEUBYDV-RHSMWYFYSA-N 2 1 380.330 3.242 10 0 GGAEMP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000647955089 567808427 /nfs/dbraw/zinc/80/84/27/567808427.db2.gz UBOBKWWHQRJLPP-IBGZPJMESA-N 2 1 387.325 3.482 10 0 GGAEMP Brc1ccc(-c2nccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000647955089 567808430 /nfs/dbraw/zinc/80/84/30/567808430.db2.gz UBOBKWWHQRJLPP-IBGZPJMESA-N 2 1 387.325 3.482 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975764 567808750 /nfs/dbraw/zinc/80/87/50/567808750.db2.gz FPXQMGXSNCDFDJ-PMPSAXMXSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975764 567808753 /nfs/dbraw/zinc/80/87/53/567808753.db2.gz FPXQMGXSNCDFDJ-PMPSAXMXSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975761 567808851 /nfs/dbraw/zinc/80/88/51/567808851.db2.gz FPXQMGXSNCDFDJ-BZUAXINKSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975761 567808854 /nfs/dbraw/zinc/80/88/54/567808854.db2.gz FPXQMGXSNCDFDJ-BZUAXINKSA-N 2 1 394.357 3.488 10 0 GGAEMP Cc1[nH+]ccn1[C@H](C)c1nc(CC2CC[NH+](C)CC2)nn1Cc1ccccc1 ZINC000096133440 570211880 /nfs/dbraw/zinc/21/18/80/570211880.db2.gz GYLFKKUSXYJVJZ-QGZVFWFLSA-N 2 1 378.524 3.325 10 0 GGAEMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1F ZINC000013732964 570783676 /nfs/dbraw/zinc/78/36/76/570783676.db2.gz NPSZNPXHIVUELK-UHFFFAOYSA-N 2 1 396.890 3.128 10 0 GGAEMP COc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccc(C)cc1 ZINC000013733236 570783697 /nfs/dbraw/zinc/78/36/97/570783697.db2.gz SISDGQQURGBZSE-UHFFFAOYSA-N 2 1 392.927 3.298 10 0 GGAEMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(=O)Nc1ccc(C)cc1 ZINC000013736626 570784164 /nfs/dbraw/zinc/78/41/64/570784164.db2.gz MOIOWBKRJRXFNY-UHFFFAOYSA-N 2 1 385.508 3.062 10 0 GGAEMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cccc(OC(F)F)c3)cc2)CC1 ZINC000057965634 1407762402 /nfs/dbraw/zinc/76/24/02/1407762402.db2.gz BOSZHBFOMJGAQM-UHFFFAOYSA-N 2 1 375.463 3.325 10 0 GGAEMP CCOc1cc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)ccc1OC ZINC000069171440 1409580022 /nfs/dbraw/zinc/58/00/22/1409580022.db2.gz DZTJRNRAEINXAP-NRFANRHFSA-N 2 1 383.536 3.172 10 0 GGAEMP CN(CC1CC[NH+](C)CC1)C(=O)C[NH+](Cc1ccccc1)Cc1ccccc1 ZINC000081348985 1410017784 /nfs/dbraw/zinc/01/77/84/1410017784.db2.gz JVIJCFRTMLGDHA-UHFFFAOYSA-N 2 1 379.548 3.489 10 0 GGAEMP Cc1cc(N2CCC([NH2+]Cc3cn(C)nc3-c3cccs3)CC2)nc(C)[nH+]1 ZINC000093967429 1410290727 /nfs/dbraw/zinc/29/07/27/1410290727.db2.gz GQCATQFVBPAQID-UHFFFAOYSA-N 2 1 382.537 3.314 10 0 GGAEMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452457 1410311159 /nfs/dbraw/zinc/31/11/59/1410311159.db2.gz BXXRRMJKRKGQLS-WOJBJXKFSA-N 2 1 389.584 3.323 10 0 GGAEMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)Nc2cccc3nsnc32)cc1 ZINC000095462676 1410312602 /nfs/dbraw/zinc/31/26/02/1410312602.db2.gz QPIJNJRBPGSOHQ-ZDUSSCGKSA-N 2 1 392.488 3.475 10 0 GGAEMP Cc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)c1 ZINC000103343244 1410849926 /nfs/dbraw/zinc/84/99/26/1410849926.db2.gz BEXCSUUQMMTXJJ-UHFFFAOYSA-N 2 1 389.547 3.422 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105451270 1411067168 /nfs/dbraw/zinc/06/71/68/1411067168.db2.gz HTEOAVBFXCRLIC-UHFFFAOYSA-N 2 1 382.552 3.024 10 0 GGAEMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc4c(c3)OCCO4)CC2)cs1 ZINC000111397433 1411941740 /nfs/dbraw/zinc/94/17/40/1411941740.db2.gz GSVKADSOFODOSC-UHFFFAOYSA-N 2 1 387.549 3.479 10 0 GGAEMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124793499 1415045329 /nfs/dbraw/zinc/04/53/29/1415045329.db2.gz BAUYAWPUDYZHDL-DSLXNQLJSA-N 2 1 397.485 3.476 10 0 GGAEMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124793744 1415045596 /nfs/dbraw/zinc/04/55/96/1415045596.db2.gz BAUYAWPUDYZHDL-XGXHKWSGSA-N 2 1 397.485 3.476 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000125283285 1415152005 /nfs/dbraw/zinc/15/20/05/1415152005.db2.gz HQIDNLMWPMFVIK-HNNXBMFYSA-N 2 1 377.330 3.375 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000125283285 1415152008 /nfs/dbraw/zinc/15/20/08/1415152008.db2.gz HQIDNLMWPMFVIK-HNNXBMFYSA-N 2 1 377.330 3.375 10 0 GGAEMP CC(C)OC(=O)c1ccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@@H](n3ccnc3)C2)cc1 ZINC000129460512 1416213336 /nfs/dbraw/zinc/21/33/36/1416213336.db2.gz ATRXPYDRROUYMO-UWVAXJGDSA-N 2 1 398.507 3.358 10 0 GGAEMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000130379208 1416367778 /nfs/dbraw/zinc/36/77/78/1416367778.db2.gz BXEGRXDUEFOQMZ-GOSISDBHSA-N 2 1 386.515 3.219 10 0 GGAEMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000130703943 1416429069 /nfs/dbraw/zinc/42/90/69/1416429069.db2.gz FRMUIVODFVBGMN-CQSZACIVSA-N 2 1 380.895 3.353 10 0 GGAEMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C)Cc1c(F)cccc1Cl ZINC000130703943 1416429070 /nfs/dbraw/zinc/42/90/70/1416429070.db2.gz FRMUIVODFVBGMN-CQSZACIVSA-N 2 1 380.895 3.353 10 0 GGAEMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130771693 1416447453 /nfs/dbraw/zinc/44/74/53/1416447453.db2.gz HJTNAZRFPAPZGO-SFHVURJKSA-N 2 1 394.523 3.343 10 0 GGAEMP Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130771693 1416447456 /nfs/dbraw/zinc/44/74/56/1416447456.db2.gz HJTNAZRFPAPZGO-SFHVURJKSA-N 2 1 394.523 3.343 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC(C)(C)c3ccc(F)cc3Cl)cn2)CC1 ZINC000134316432 1417054690 /nfs/dbraw/zinc/05/46/90/1417054690.db2.gz AFPQSJGETVBPKU-UHFFFAOYSA-N 2 1 391.922 3.088 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)ccc1OC(F)F ZINC000136567504 1417327477 /nfs/dbraw/zinc/32/74/77/1417327477.db2.gz DOFNIKQERUSHER-DLBZAZTESA-N 2 1 384.467 3.154 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc(Cl)c1OC ZINC000136576911 1417328559 /nfs/dbraw/zinc/32/85/59/1417328559.db2.gz AOBSTCMASQLOMH-QZTJIDSGSA-N 2 1 382.932 3.215 10 0 GGAEMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CN(Cc2ccccc2)C1 ZINC000136901067 1417353453 /nfs/dbraw/zinc/35/34/53/1417353453.db2.gz HCWYBBIKUTZNJE-YNJKOYDBSA-N 2 1 393.575 3.253 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000140045409 1417486790 /nfs/dbraw/zinc/48/67/90/1417486790.db2.gz DKSYMJAITZOEGE-BFYDXBDKSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[N@H+]4CC[C@@H]5[C@H](CCC[NH+]5C)C4)nc(N)c23)C1 ZINC000140045409 1417486793 /nfs/dbraw/zinc/48/67/93/1417486793.db2.gz DKSYMJAITZOEGE-BFYDXBDKSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H]5[C@H](CCC[N@@H+]5C)C4)nc(N)c23)C1 ZINC000140045409 1417486796 /nfs/dbraw/zinc/48/67/96/1417486796.db2.gz DKSYMJAITZOEGE-BFYDXBDKSA-N 2 1 399.608 3.357 10 0 GGAEMP C[C@@H]1CCc2c(sc3nc(CC[NH+]4CC[C@@H]5[C@H](CCC[N@H+]5C)C4)nc(N)c23)C1 ZINC000140045409 1417486798 /nfs/dbraw/zinc/48/67/98/1417486798.db2.gz DKSYMJAITZOEGE-BFYDXBDKSA-N 2 1 399.608 3.357 10 0 GGAEMP Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CC[C@H](C)[C@H](n4ccnc4)C3)C2=O)cc1Cl ZINC000164758159 1425139890 /nfs/dbraw/zinc/13/98/90/1425139890.db2.gz IBYIPPAROZOVNW-JCGIZDLHSA-N 2 1 386.883 3.060 10 0 GGAEMP Cc1ccc(N2C(=O)C[C@H]([N@H+]3CC[C@H](C)[C@H](n4ccnc4)C3)C2=O)cc1Cl ZINC000164758159 1425139898 /nfs/dbraw/zinc/13/98/98/1425139898.db2.gz IBYIPPAROZOVNW-JCGIZDLHSA-N 2 1 386.883 3.060 10 0 GGAEMP CC[NH+](CC)CCOc1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192697297 1432876611 /nfs/dbraw/zinc/87/66/11/1432876611.db2.gz AJHMKQYAHMFXDC-IHWFROFDSA-N 2 1 375.557 3.131 10 0 GGAEMP CC[NH+](CC)CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192697297 1432876612 /nfs/dbraw/zinc/87/66/12/1432876612.db2.gz AJHMKQYAHMFXDC-IHWFROFDSA-N 3 1 375.557 3.131 10 0 GGAEMP CC[NH+](CC)CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192697297 1432876616 /nfs/dbraw/zinc/87/66/16/1432876616.db2.gz AJHMKQYAHMFXDC-IHWFROFDSA-N 3 1 375.557 3.131 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000237169770 1433391469 /nfs/dbraw/zinc/39/14/69/1433391469.db2.gz CYRZAOWOPBLEDZ-UHFFFAOYSA-N 2 1 391.563 3.389 10 0 GGAEMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237739279 1433420456 /nfs/dbraw/zinc/42/04/56/1433420456.db2.gz GZHBIIYGLBWPJD-MBSDFSHPSA-N 2 1 377.532 3.249 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000245808897 1433520889 /nfs/dbraw/zinc/52/08/89/1433520889.db2.gz BXASEDOWLBMWTF-QRVBRYPASA-N 2 1 380.536 3.431 10 0 GGAEMP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000245808897 1433520903 /nfs/dbraw/zinc/52/09/03/1433520903.db2.gz BXASEDOWLBMWTF-QRVBRYPASA-N 2 1 380.536 3.431 10 0 GGAEMP COCC[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(O)cc1)Cc1ccccc1O2 ZINC000257192655 1433894748 /nfs/dbraw/zinc/89/47/48/1433894748.db2.gz QVQOSHXQYZOADL-UHFFFAOYSA-N 2 1 382.504 3.268 10 0 GGAEMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000275440609 1435139614 /nfs/dbraw/zinc/13/96/14/1435139614.db2.gz FUYNPFVZAWIDRW-FGTMMUONSA-N 2 1 392.503 3.033 10 0 GGAEMP O=C(C1CC[NH+](Cc2ccco2)CC1)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000014951657 207033505 /nfs/dbraw/zinc/03/35/05/207033505.db2.gz NOFUZLQHRIZOSM-QHCPKHFHSA-N 2 1 385.552 3.216 10 0 GGAEMP O[C@@H]1C[N@@H+](C2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000015076967 207045971 /nfs/dbraw/zinc/04/59/71/207045971.db2.gz MOKKHQNVABDAIO-FGZHOGPDSA-N 2 1 375.532 3.106 10 0 GGAEMP O[C@@H]1C[N@H+](C2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH+]1CCCCCC1 ZINC000015076967 207045976 /nfs/dbraw/zinc/04/59/76/207045976.db2.gz MOKKHQNVABDAIO-FGZHOGPDSA-N 2 1 375.532 3.106 10 0 GGAEMP O[C@@H](COc1ccccc1C[NH+]1CCCCC1)C[N@H+]1CCc2ccccc2C1 ZINC000015073022 207044372 /nfs/dbraw/zinc/04/43/72/207044372.db2.gz OXATVEAULSWRBR-HSZRJFAPSA-N 2 1 380.532 3.471 10 0 GGAEMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@@H+](Cc2ccc(C)c(C)c2)C3)CC1 ZINC000015779577 207061473 /nfs/dbraw/zinc/06/14/73/207061473.db2.gz JDMDZELTJWYMCK-UHFFFAOYSA-N 2 1 379.552 3.184 10 0 GGAEMP CCC[NH+]1CCN(c2ncc3c(n2)CC[N@H+](Cc2ccc(C)c(C)c2)C3)CC1 ZINC000015779577 207061478 /nfs/dbraw/zinc/06/14/78/207061478.db2.gz JDMDZELTJWYMCK-UHFFFAOYSA-N 2 1 379.552 3.184 10 0 GGAEMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000095452459 208184307 /nfs/dbraw/zinc/18/43/07/208184307.db2.gz BXXRRMJKRKGQLS-UXHICEINSA-N 2 1 389.584 3.323 10 0 GGAEMP OCC[C@@H]1CN(Cc2ccc(C[NH+]3CCCC3)s2)CC[N@H+]1C1CCCC1 ZINC000019220110 527567599 /nfs/dbraw/zinc/56/75/99/527567599.db2.gz XODUWLIFNBHVAY-LJQANCHMSA-N 2 1 377.598 3.155 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000301687358 565504197 /nfs/dbraw/zinc/50/41/97/565504197.db2.gz XHUVYFQNNIASBI-DLBZAZTESA-N 2 1 376.298 3.133 10 0 GGAEMP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727127 565507263 /nfs/dbraw/zinc/50/72/63/565507263.db2.gz QPSSEWYJLCJEMM-HOTGVXAUSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727127 565507268 /nfs/dbraw/zinc/50/72/68/565507268.db2.gz QPSSEWYJLCJEMM-HOTGVXAUSA-N 2 1 390.325 3.423 10 0 GGAEMP CCc1nn(C)c(Cl)c1CN1CC[C@H](C[N@@H+](C)Cc2scnc2C)C1 ZINC000190464338 565534802 /nfs/dbraw/zinc/53/48/02/565534802.db2.gz KUHLJJPOVOWBPB-CQSZACIVSA-N 2 1 381.977 3.355 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000302443736 565542436 /nfs/dbraw/zinc/54/24/36/565542436.db2.gz QZKYJRQRSOJKGY-GFCCVEGCSA-N 2 1 378.314 3.117 10 0 GGAEMP C[C@H](NCc1c(Br)cnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710263 565574115 /nfs/dbraw/zinc/57/41/15/565574115.db2.gz KHXCKBVAJKUZAB-GOEBONIOSA-N 2 1 377.330 3.183 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770992 565657485 /nfs/dbraw/zinc/65/74/85/565657485.db2.gz RYIKSJHQBNTAKC-CZUORRHYSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)Cc2cc3c(cc2Br)OCCO3)[C@H](C)C1 ZINC000174770979 565657846 /nfs/dbraw/zinc/65/78/46/565657846.db2.gz RYIKSJHQBNTAKC-CJNGLKHVSA-N 2 1 383.330 3.382 10 0 GGAEMP Cc1ccc(Br)cc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192993495 565723154 /nfs/dbraw/zinc/72/31/54/565723154.db2.gz CXZMDZCVSGFHQS-MQVJKMGUSA-N 2 1 380.330 3.301 10 0 GGAEMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000178069680 565894094 /nfs/dbraw/zinc/89/40/94/565894094.db2.gz UYHOARDOJHGWJM-AEFFLSMTSA-N 2 1 397.357 3.489 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414103873 565895217 /nfs/dbraw/zinc/89/52/17/565895217.db2.gz DYTWRTXWYMLTNK-PMPSAXMXSA-N 2 1 396.373 3.242 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000414103867 565895879 /nfs/dbraw/zinc/89/58/79/565895879.db2.gz DYTWRTXWYMLTNK-OAGGEKHMSA-N 2 1 396.373 3.242 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000178291816 565911085 /nfs/dbraw/zinc/91/10/85/565911085.db2.gz UCAOUEDSAZHYBF-KRWDZBQOSA-N 2 1 391.313 3.447 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000178291816 565911088 /nfs/dbraw/zinc/91/10/88/565911088.db2.gz UCAOUEDSAZHYBF-KRWDZBQOSA-N 2 1 391.313 3.447 10 0 GGAEMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(Br)cc2)CC1 ZINC000414754787 565958654 /nfs/dbraw/zinc/95/86/54/565958654.db2.gz YKVVBZXETQPWKT-MRXNPFEDSA-N 2 1 382.346 3.473 10 0 GGAEMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(Br)c1OC(F)F ZINC000414964976 565966730 /nfs/dbraw/zinc/96/67/30/565966730.db2.gz VEEAJVFXGWANQC-JOYOIKCWSA-N 2 1 379.245 3.147 10 0 GGAEMP C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000415046621 565970540 /nfs/dbraw/zinc/97/05/40/565970540.db2.gz CXRVPVOJRUDCTL-VNCLNFNDSA-N 2 1 380.374 3.359 10 0 GGAEMP Fc1ccc(Br)c(F)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048208 565971460 /nfs/dbraw/zinc/97/14/60/565971460.db2.gz FWFSKRCHTARBFB-UHFFFAOYSA-N 2 1 388.300 3.033 10 0 GGAEMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058994 565971604 /nfs/dbraw/zinc/97/16/04/565971604.db2.gz UIKHXGISAODPSO-OOHWJJMZSA-N 2 1 398.364 3.325 10 0 GGAEMP Clc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1Br ZINC000415059666 565972004 /nfs/dbraw/zinc/97/20/04/565972004.db2.gz VHMZXQRKMHDGNX-UHFFFAOYSA-N 2 1 386.765 3.409 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731945 566003078 /nfs/dbraw/zinc/00/30/78/566003078.db2.gz JYKNAUJWKSNOOT-XJKSGUPXSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731945 566003079 /nfs/dbraw/zinc/00/30/79/566003079.db2.gz JYKNAUJWKSNOOT-XJKSGUPXSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(Br)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000245731945 566003080 /nfs/dbraw/zinc/00/30/80/566003080.db2.gz JYKNAUJWKSNOOT-XJKSGUPXSA-N 2 1 383.330 3.382 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(Cl)cccc2Cl)[C@H](C)C1 ZINC000246412964 566027974 /nfs/dbraw/zinc/02/79/74/566027974.db2.gz BICXPHPBYFEANY-CPUCHLNUSA-N 2 1 375.340 3.395 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000247056207 566051996 /nfs/dbraw/zinc/05/19/96/566051996.db2.gz NUKTYOULGOBBEG-DYVFJYSZSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(Br)c1 ZINC000247056207 566052000 /nfs/dbraw/zinc/05/20/00/566052000.db2.gz NUKTYOULGOBBEG-DYVFJYSZSA-N 2 1 391.313 3.446 10 0 GGAEMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982075 566069762 /nfs/dbraw/zinc/06/97/62/566069762.db2.gz IKUXEZJGOJNGLQ-CXAGYDPISA-N 2 1 398.320 3.333 10 0 GGAEMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982075 566069766 /nfs/dbraw/zinc/06/97/66/566069766.db2.gz IKUXEZJGOJNGLQ-CXAGYDPISA-N 2 1 398.320 3.333 10 0 GGAEMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982075 566069771 /nfs/dbraw/zinc/06/97/71/566069771.db2.gz IKUXEZJGOJNGLQ-CXAGYDPISA-N 2 1 398.320 3.333 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000248172053 566073625 /nfs/dbraw/zinc/07/36/25/566073625.db2.gz UYHOARDOJHGWJM-FUHWJXTLSA-N 2 1 397.357 3.489 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261875959 566139466 /nfs/dbraw/zinc/13/94/66/566139466.db2.gz DSKFZPCEJGDRFK-RCCFBDPRSA-N 2 1 381.358 3.473 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(Br)c1 ZINC000261875953 566139544 /nfs/dbraw/zinc/13/95/44/566139544.db2.gz DSKFZPCEJGDRFK-KSZLIROESA-N 2 1 381.358 3.473 10 0 GGAEMP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000261948871 566141725 /nfs/dbraw/zinc/14/17/25/566141725.db2.gz NXFWKSOYMVWTOE-KSZLIROESA-N 2 1 379.342 3.227 10 0 GGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2ccccc2Br)CC1 ZINC000181831514 566167430 /nfs/dbraw/zinc/16/74/30/566167430.db2.gz SQNZOJZWAYRBPF-MRXNPFEDSA-N 2 1 383.374 3.406 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1 ZINC000420381829 566276366 /nfs/dbraw/zinc/27/63/66/566276366.db2.gz CTFLKXBYRMIMSL-RHSMWYFYSA-N 2 1 380.330 3.242 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420400277 566276623 /nfs/dbraw/zinc/27/66/23/566276623.db2.gz OOSNCPIIWUZTCM-QAPCUYQASA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420400277 566276628 /nfs/dbraw/zinc/27/66/28/566276628.db2.gz OOSNCPIIWUZTCM-QAPCUYQASA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420400279 566276682 /nfs/dbraw/zinc/27/66/82/566276682.db2.gz OOSNCPIIWUZTCM-YJBOKZPZSA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420400279 566276689 /nfs/dbraw/zinc/27/66/89/566276689.db2.gz OOSNCPIIWUZTCM-YJBOKZPZSA-N 2 1 384.351 3.416 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(Br)cc1F ZINC000420395583 566277103 /nfs/dbraw/zinc/27/71/03/566277103.db2.gz LKCNFCKQLQWJPT-CXAGYDPISA-N 2 1 398.320 3.381 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000556237118 566278354 /nfs/dbraw/zinc/27/83/54/566278354.db2.gz SMKQTVPGAMQIQV-MRXNPFEDSA-N 2 1 392.341 3.111 10 0 GGAEMP C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(C)(=O)=O ZINC000575848803 566292616 /nfs/dbraw/zinc/29/26/16/566292616.db2.gz RXKGAIFFHYLOAK-YQCLPMHJSA-N 2 1 384.973 3.277 10 0 GGAEMP O=C1Nc2ccc(Br)cc2CC[C@H]1N1CCC(c2c[nH]cn2)CC1 ZINC000625258847 566299829 /nfs/dbraw/zinc/29/98/29/566299829.db2.gz AJVPNWXCALAVQW-QGZVFWFLSA-N 2 1 389.297 3.305 10 0 GGAEMP CN(C(=O)c1ccsc1C(F)(F)F)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625502397 566330042 /nfs/dbraw/zinc/33/00/42/566330042.db2.gz YKXKBAMANKTXCQ-ZDUSSCGKSA-N 2 1 375.460 3.007 10 0 GGAEMP CN(C(=O)c1ccsc1C(F)(F)F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000625502397 566330048 /nfs/dbraw/zinc/33/00/48/566330048.db2.gz YKXKBAMANKTXCQ-ZDUSSCGKSA-N 2 1 375.460 3.007 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000556891187 566340954 /nfs/dbraw/zinc/34/09/54/566340954.db2.gz BSSJIZPRLVENRO-ZACQAIPSSA-N 2 1 377.330 3.368 10 0 GGAEMP Cc1cc(Br)cn2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000556891187 566340959 /nfs/dbraw/zinc/34/09/59/566340959.db2.gz BSSJIZPRLVENRO-ZACQAIPSSA-N 2 1 377.330 3.368 10 0 GGAEMP Brc1cc2c(cc1C[N@@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCCCO2 ZINC000576875000 566386574 /nfs/dbraw/zinc/38/65/74/566386574.db2.gz GUJVEMHACRWJTN-OKILXGFUSA-N 2 1 381.314 3.042 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000577638098 566451536 /nfs/dbraw/zinc/45/15/36/566451536.db2.gz IGUICWIYFPZAEX-SKWUIDRYSA-N 2 1 381.358 3.063 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000577638097 566451993 /nfs/dbraw/zinc/45/19/93/566451993.db2.gz IGUICWIYFPZAEX-JZGRTCEGSA-N 2 1 381.358 3.063 10 0 GGAEMP CC[C@@H]([NH2+][C@@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1)[C@@H]1CCC[NH2+]1 ZINC000422873119 566463317 /nfs/dbraw/zinc/46/33/17/566463317.db2.gz KBAXIXRBQDHFHK-YUELXQCFSA-N 2 1 376.854 3.453 10 0 GGAEMP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(Br)cc2)C1)c1c[nH+]ccc1N ZINC000422941506 566467333 /nfs/dbraw/zinc/46/73/33/566467333.db2.gz JIVYPNYJTBXJBG-ZIAGYGMSSA-N 2 1 375.314 3.434 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650707267 566472099 /nfs/dbraw/zinc/47/20/99/566472099.db2.gz BXOJEPJTXTVDSR-QANKJYHBSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1sc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723072 566473231 /nfs/dbraw/zinc/47/32/31/566473231.db2.gz HBYXCBNDCDHGGT-NILFDRSVSA-N 2 1 389.359 3.380 10 0 GGAEMP COc1sc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1Br ZINC000650723072 566473237 /nfs/dbraw/zinc/47/32/37/566473237.db2.gz HBYXCBNDCDHGGT-NILFDRSVSA-N 2 1 389.359 3.380 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722100 566473525 /nfs/dbraw/zinc/47/35/25/566473525.db2.gz KSDXIHYFBPCVSE-KBMXLJTQSA-N 2 1 397.313 3.039 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1Br ZINC000650722564 566473661 /nfs/dbraw/zinc/47/36/61/566473661.db2.gz WOFOVEVWFAENRA-QGPMSJSTSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650723000 566473820 /nfs/dbraw/zinc/47/38/20/566473820.db2.gz FYXRORJIETVBEU-LXZKKBNFSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650723000 566473823 /nfs/dbraw/zinc/47/38/23/566473823.db2.gz FYXRORJIETVBEU-LXZKKBNFSA-N 2 1 399.329 3.024 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc3c(cc2Br)OCO3)C1 ZINC000650722099 566473916 /nfs/dbraw/zinc/47/39/16/566473916.db2.gz KSDXIHYFBPCVSE-FVQBIDKESA-N 2 1 397.313 3.039 10 0 GGAEMP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723210 566474082 /nfs/dbraw/zinc/47/40/82/566474082.db2.gz JGULZTWMDUNULH-LZLYRXPVSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723210 566474086 /nfs/dbraw/zinc/47/40/86/566474086.db2.gz JGULZTWMDUNULH-LZLYRXPVSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723688 566474585 /nfs/dbraw/zinc/47/45/85/566474585.db2.gz RZQCJVNRDADUCA-BMGDILEWSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723211 566474630 /nfs/dbraw/zinc/47/46/30/566474630.db2.gz JGULZTWMDUNULH-NUJGCVRESA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723211 566474634 /nfs/dbraw/zinc/47/46/34/566474634.db2.gz JGULZTWMDUNULH-NUJGCVRESA-N 2 1 383.330 3.319 10 0 GGAEMP Cc1c(Br)cccc1C[C@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423149040 566478356 /nfs/dbraw/zinc/47/83/56/566478356.db2.gz AESRZJSPQTZSNG-KBPBESRZSA-N 2 1 378.314 3.067 10 0 GGAEMP C[NH+](C)Cc1cnc(CNC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)s1 ZINC000511765514 566486765 /nfs/dbraw/zinc/48/67/65/566486765.db2.gz SCNHVFFYXJGVCR-UHFFFAOYSA-N 2 1 376.492 3.100 10 0 GGAEMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1Br ZINC000423522289 566492499 /nfs/dbraw/zinc/49/24/99/566492499.db2.gz UNZNHZNASBMUEM-IUDNXUCKSA-N 2 1 384.337 3.455 10 0 GGAEMP Brc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423526926 566493049 /nfs/dbraw/zinc/49/30/49/566493049.db2.gz ZZYHTXWRXNMIKE-JFIBYHEFSA-N 2 1 378.358 3.242 10 0 GGAEMP CCOc1c(Br)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000578192829 566500196 /nfs/dbraw/zinc/50/01/96/566500196.db2.gz BKBGQNWBTDWQMI-GASCZTMLSA-N 2 1 383.330 3.288 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628050650 566527441 /nfs/dbraw/zinc/52/74/41/566527441.db2.gz JEFIXBLFJBVIDY-LBPRGKRZSA-N 2 1 379.854 3.361 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000628050650 566527448 /nfs/dbraw/zinc/52/74/48/566527448.db2.gz JEFIXBLFJBVIDY-LBPRGKRZSA-N 2 1 379.854 3.361 10 0 GGAEMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1(C)C ZINC000449306301 566545792 /nfs/dbraw/zinc/54/57/92/566545792.db2.gz VVJZKQPYHATWIW-MRXNPFEDSA-N 2 1 384.337 3.191 10 0 GGAEMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1(C)C ZINC000449306300 566546202 /nfs/dbraw/zinc/54/62/02/566546202.db2.gz VVJZKQPYHATWIW-INIZCTEOSA-N 2 1 384.337 3.191 10 0 GGAEMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578985822 566570781 /nfs/dbraw/zinc/57/07/81/566570781.db2.gz VSWICSRNCHJGCF-OFQRWUPVSA-N 2 1 377.838 3.102 10 0 GGAEMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@H]1c1ccc(Cl)c(F)c1 ZINC000578985822 566570785 /nfs/dbraw/zinc/57/07/85/566570785.db2.gz VSWICSRNCHJGCF-OFQRWUPVSA-N 2 1 377.838 3.102 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149461 566582766 /nfs/dbraw/zinc/58/27/66/566582766.db2.gz LAXWBGNTKLBISH-AEFFLSMTSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000513149461 566582772 /nfs/dbraw/zinc/58/27/72/566582772.db2.gz LAXWBGNTKLBISH-AEFFLSMTSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149464 566583123 /nfs/dbraw/zinc/58/31/23/566583123.db2.gz LAXWBGNTKLBISH-WMZOPIPTSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000513149464 566583133 /nfs/dbraw/zinc/58/31/33/566583133.db2.gz LAXWBGNTKLBISH-WMZOPIPTSA-N 2 1 383.330 3.301 10 0 GGAEMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344169 566600813 /nfs/dbraw/zinc/60/08/13/566600813.db2.gz VEOGPUQFUDINDK-CABCVRRESA-N 2 1 375.340 3.301 10 0 GGAEMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344173 566601537 /nfs/dbraw/zinc/60/15/37/566601537.db2.gz VEOGPUQFUDINDK-HUUCEWRRSA-N 2 1 375.340 3.301 10 0 GGAEMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)[C@@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969842 566602633 /nfs/dbraw/zinc/60/26/33/566602633.db2.gz ZNEPRKYFVZPFQN-CJNGLKHVSA-N 2 1 390.380 3.150 10 0 GGAEMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc(Br)c1OC ZINC000513708561 566619802 /nfs/dbraw/zinc/61/98/02/566619802.db2.gz TZJUHBAEWKMBNP-BMFZPTHFSA-N 2 1 383.330 3.429 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535867 566664894 /nfs/dbraw/zinc/66/48/94/566664894.db2.gz FYQWZGBMHXYFOM-NJZAAPMLSA-N 2 1 389.284 3.446 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535867 566664896 /nfs/dbraw/zinc/66/48/96/566664896.db2.gz FYQWZGBMHXYFOM-NJZAAPMLSA-N 2 1 389.284 3.446 10 0 GGAEMP COc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629558178 566665719 /nfs/dbraw/zinc/66/57/19/566665719.db2.gz CJVOWLHEWQRJNM-GOEBONIOSA-N 2 1 381.314 3.116 10 0 GGAEMP COc1cc(Br)ccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629558176 566666257 /nfs/dbraw/zinc/66/62/57/566666257.db2.gz CJVOWLHEWQRJNM-GDBMZVCRSA-N 2 1 381.314 3.116 10 0 GGAEMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581682 566667538 /nfs/dbraw/zinc/66/75/38/566667538.db2.gz FVHQVFWJBQBYPM-DGCLKSJQSA-N 2 1 379.302 3.404 10 0 GGAEMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581683 566667780 /nfs/dbraw/zinc/66/77/80/566667780.db2.gz FVHQVFWJBQBYPM-WCQYABFASA-N 2 1 379.302 3.404 10 0 GGAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Br)cc(C)c1OC(F)F ZINC000629652677 566675723 /nfs/dbraw/zinc/67/57/23/566675723.db2.gz CCLMZZXIZAWNDU-UHFFFAOYSA-N 2 1 381.261 3.027 10 0 GGAEMP C[N@@H+](Cc1ccc(Br)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000677801479 566764315 /nfs/dbraw/zinc/76/43/15/566764315.db2.gz SKWKLLVTMSILCB-MRXNPFEDSA-N 2 1 384.337 3.189 10 0 GGAEMP C[C@@H]([NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1)C1CC[NH+](C)CC1 ZINC000678596466 566807395 /nfs/dbraw/zinc/80/73/95/566807395.db2.gz VJGLENMBJUWPTR-GFCCVEGCSA-N 2 1 378.318 3.054 10 0 GGAEMP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000631703562 566819123 /nfs/dbraw/zinc/81/91/23/566819123.db2.gz VIQKOFUTUZNCIZ-LMCOJAPRSA-N 2 1 391.353 3.320 10 0 GGAEMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543787676 566911488 /nfs/dbraw/zinc/91/14/88/566911488.db2.gz NSRYZEXOOJTZDT-KRWDZBQOSA-N 2 1 385.346 3.390 10 0 GGAEMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Br)cc2OC)C1 ZINC000543787676 566911499 /nfs/dbraw/zinc/91/14/99/566911499.db2.gz NSRYZEXOOJTZDT-KRWDZBQOSA-N 2 1 385.346 3.390 10 0 GGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057904 567051474 /nfs/dbraw/zinc/05/14/74/567051474.db2.gz FZPIWMSRVFLZTL-NEPJUHHUSA-N 2 1 376.257 3.423 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000565263350 567052369 /nfs/dbraw/zinc/05/23/69/567052369.db2.gz WFPHDVLQFMELLJ-SQNIBIBYSA-N 2 1 394.357 3.031 10 0 GGAEMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000453089461 567053412 /nfs/dbraw/zinc/05/34/12/567053412.db2.gz BBPFIPZJLJKTMV-KRWDZBQOSA-N 2 1 384.337 3.193 10 0 GGAEMP C[C@@H]([NH2+]Cc1ccc(I)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000584768836 567068227 /nfs/dbraw/zinc/06/82/27/567068227.db2.gz CNJDZSPAROIMEW-GHMZBOCLSA-N 2 1 378.685 3.422 10 0 GGAEMP C[C@H]([NH2+]Cc1ccc(I)cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000584768850 567068987 /nfs/dbraw/zinc/06/89/87/567068987.db2.gz CNJDZSPAROIMEW-WDEREUQCSA-N 2 1 378.685 3.422 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)c(F)c3)cc2)C1 ZINC000657594595 567074478 /nfs/dbraw/zinc/07/44/78/567074478.db2.gz CAEUHIXVUKBQQG-KRWDZBQOSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Br)cc2)C1 ZINC000657596987 567074635 /nfs/dbraw/zinc/07/46/35/567074635.db2.gz PZAAUVJUKRJRQK-GOSISDBHSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Br)cc2)C1 ZINC000657596987 567074641 /nfs/dbraw/zinc/07/46/41/567074641.db2.gz PZAAUVJUKRJRQK-GOSISDBHSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3F)cc2)C1 ZINC000657596457 567074776 /nfs/dbraw/zinc/07/47/76/567074776.db2.gz NHQURHJYFDLQAD-QGZVFWFLSA-N 2 1 393.300 3.445 10 0 GGAEMP CC[C@@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061471 567118487 /nfs/dbraw/zinc/11/84/87/567118487.db2.gz OKKBJUBVTZDMEM-GOEBONIOSA-N 2 1 387.977 3.162 10 0 GGAEMP CC[C@@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061471 567118490 /nfs/dbraw/zinc/11/84/90/567118490.db2.gz OKKBJUBVTZDMEM-GOEBONIOSA-N 2 1 387.977 3.162 10 0 GGAEMP CC[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061474 567119551 /nfs/dbraw/zinc/11/95/51/567119551.db2.gz OKKBJUBVTZDMEM-HOCLYGCPSA-N 2 1 387.977 3.162 10 0 GGAEMP CC[C@H](NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000658061474 567119555 /nfs/dbraw/zinc/11/95/55/567119555.db2.gz OKKBJUBVTZDMEM-HOCLYGCPSA-N 2 1 387.977 3.162 10 0 GGAEMP O=C(Nc1cccc2c1CC[NH2+]C2)c1sc2c(c1Br)C[NH2+]C2 ZINC000659296337 567201740 /nfs/dbraw/zinc/20/17/40/567201740.db2.gz LNCKHCNLIJLNBU-UHFFFAOYSA-N 2 1 378.295 3.012 10 0 GGAEMP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1sc2c(c1Br)C[NH2+]C2 ZINC000659309242 567204114 /nfs/dbraw/zinc/20/41/14/567204114.db2.gz IHWIRXSUKVEERP-UHFFFAOYSA-N 2 1 396.285 3.151 10 0 GGAEMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Nc2cccc(Br)c2)CC1 ZINC000547618783 567232800 /nfs/dbraw/zinc/23/28/00/567232800.db2.gz UTIQAXILQVRMTP-UHFFFAOYSA-N 2 1 390.285 3.240 10 0 GGAEMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000567889443 567286232 /nfs/dbraw/zinc/28/62/32/567286232.db2.gz YNTPSPOBTOAPFB-SOUVJXGZSA-N 2 1 380.330 3.016 10 0 GGAEMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000567889443 567286240 /nfs/dbraw/zinc/28/62/40/567286240.db2.gz YNTPSPOBTOAPFB-SOUVJXGZSA-N 2 1 380.330 3.016 10 0 GGAEMP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617505534 567316566 /nfs/dbraw/zinc/31/65/66/567316566.db2.gz GRQYRWMPKCZWQU-STQMWFEESA-N 2 1 390.391 3.002 10 0 GGAEMP C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)s1 ZINC000617505534 567316572 /nfs/dbraw/zinc/31/65/72/567316572.db2.gz GRQYRWMPKCZWQU-STQMWFEESA-N 2 1 390.391 3.002 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@](C)([NH3+])c2ccccc2)cc1Br ZINC000569004626 567372568 /nfs/dbraw/zinc/37/25/68/567372568.db2.gz IJTNORQWTPZOHG-GOSISDBHSA-N 2 1 376.298 3.323 10 0 GGAEMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000569338163 567398451 /nfs/dbraw/zinc/39/84/51/567398451.db2.gz FNKJZRXXULYYEP-ZIAGYGMSSA-N 2 1 382.346 3.475 10 0 GGAEMP O[C@H]1CC[N@H+](C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000662159409 567414662 /nfs/dbraw/zinc/41/46/62/567414662.db2.gz ZUFTUGJKPURYOO-UJXFUWLCSA-N 2 1 379.342 3.383 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CC[NH+](CC/C=C/c3ccc(Br)cc3)CC2)C1 ZINC000662159410 567414865 /nfs/dbraw/zinc/41/48/65/567414865.db2.gz ZUFTUGJKPURYOO-VUQTYRPGSA-N 2 1 379.342 3.383 10 0 GGAEMP Clc1cnc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)c(Cl)c1 ZINC000662261556 567421718 /nfs/dbraw/zinc/42/17/18/567421718.db2.gz ZWMSJCFTCCDCEK-UHFFFAOYSA-N 2 1 377.319 3.356 10 0 GGAEMP C[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000662258904 567421808 /nfs/dbraw/zinc/42/18/08/567421808.db2.gz XXIYKWCYTAVHLB-DZGCQCFKSA-N 2 1 383.355 3.439 10 0 GGAEMP Brc1cccc(C[C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282066 567424027 /nfs/dbraw/zinc/42/40/27/567424027.db2.gz CQJRHOIGLNQJJG-QZTJIDSGSA-N 2 1 379.342 3.367 10 0 GGAEMP Brc1cccc(C[C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282065 567424629 /nfs/dbraw/zinc/42/46/29/567424629.db2.gz CQJRHOIGLNQJJG-MSOLQXFVSA-N 2 1 379.342 3.367 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662292279 567425292 /nfs/dbraw/zinc/42/52/92/567425292.db2.gz CYNDXKAYYJHTMU-INIZCTEOSA-N 2 1 394.357 3.489 10 0 GGAEMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662295282 567425645 /nfs/dbraw/zinc/42/56/45/567425645.db2.gz PABOGECJHPJSQG-MRXNPFEDSA-N 2 1 394.357 3.408 10 0 GGAEMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(Br)c1 ZINC000662295282 567425656 /nfs/dbraw/zinc/42/56/56/567425656.db2.gz PABOGECJHPJSQG-MRXNPFEDSA-N 2 1 394.357 3.408 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662295879 567425806 /nfs/dbraw/zinc/42/58/06/567425806.db2.gz INRAZBHEZNAGDD-MRXNPFEDSA-N 2 1 394.357 3.489 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cccc(Br)c1 ZINC000662294541 567425871 /nfs/dbraw/zinc/42/58/71/567425871.db2.gz QRPAZWWRUJDVRK-INIZCTEOSA-N 2 1 394.357 3.489 10 0 GGAEMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000662295285 567425926 /nfs/dbraw/zinc/42/59/26/567425926.db2.gz PBPKLMJGATVKDT-AWEZNQCLSA-N 2 1 398.320 3.238 10 0 GGAEMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000662295285 567425931 /nfs/dbraw/zinc/42/59/31/567425931.db2.gz PBPKLMJGATVKDT-AWEZNQCLSA-N 2 1 398.320 3.238 10 0 GGAEMP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662293670 567426061 /nfs/dbraw/zinc/42/60/61/567426061.db2.gz HWOPHZSUUJAFMW-OAHLLOKOSA-N 2 1 380.330 3.099 10 0 GGAEMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662293670 567426064 /nfs/dbraw/zinc/42/60/64/567426064.db2.gz HWOPHZSUUJAFMW-OAHLLOKOSA-N 2 1 380.330 3.099 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000662321253 567426988 /nfs/dbraw/zinc/42/69/88/567426988.db2.gz AIXXXGMZNAZGEM-INIZCTEOSA-N 2 1 389.309 3.010 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CCO1 ZINC000662321253 567426994 /nfs/dbraw/zinc/42/69/94/567426994.db2.gz AIXXXGMZNAZGEM-INIZCTEOSA-N 2 1 389.309 3.010 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000662321864 567427286 /nfs/dbraw/zinc/42/72/86/567427286.db2.gz FHOXHPNPCMXGFW-GOSISDBHSA-N 2 1 397.357 3.455 10 0 GGAEMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC(=O)c2ccc(Br)cc2)CCO1 ZINC000662321864 567427291 /nfs/dbraw/zinc/42/72/91/567427291.db2.gz FHOXHPNPCMXGFW-GOSISDBHSA-N 2 1 397.357 3.455 10 0 GGAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2cc(Cl)sc2[nH]1 ZINC000569752512 567430076 /nfs/dbraw/zinc/43/00/76/567430076.db2.gz DLYXRLUKYIPZDC-CQSZACIVSA-N 2 1 382.961 3.371 10 0 GGAEMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662450228 567437818 /nfs/dbraw/zinc/43/78/18/567437818.db2.gz LFXDIWBJZOBTOY-QWRGUYRKSA-N 2 1 386.359 3.107 10 0 GGAEMP C[NH+](C)Cc1cccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000662525186 567444412 /nfs/dbraw/zinc/44/44/12/567444412.db2.gz FKCZLOLKLPXAJP-UHFFFAOYSA-N 2 1 394.338 3.105 10 0 GGAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1sc2c(c1Br)CNC2 ZINC000662745241 567461046 /nfs/dbraw/zinc/46/10/46/567461046.db2.gz KORQPMYUMOEFCR-NSHDSACASA-N 2 1 386.359 3.060 10 0 GGAEMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662745241 567461051 /nfs/dbraw/zinc/46/10/51/567461051.db2.gz KORQPMYUMOEFCR-NSHDSACASA-N 2 1 386.359 3.060 10 0 GGAEMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662745241 567461057 /nfs/dbraw/zinc/46/10/57/567461057.db2.gz KORQPMYUMOEFCR-NSHDSACASA-N 2 1 386.359 3.060 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@@H]1C ZINC000662743909 567461135 /nfs/dbraw/zinc/46/11/35/567461135.db2.gz WZXTUZKPQNZWEZ-WDEREUQCSA-N 2 1 386.359 3.059 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@@H]1C ZINC000662743909 567461144 /nfs/dbraw/zinc/46/11/44/567461144.db2.gz WZXTUZKPQNZWEZ-WDEREUQCSA-N 2 1 386.359 3.059 10 0 GGAEMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000550887798 567467893 /nfs/dbraw/zinc/46/78/93/567467893.db2.gz UCJNCECZECATLO-BBWFWOEESA-N 2 1 398.389 3.347 10 0 GGAEMP O=C(CC[N@H+]1CC[C@@H](Oc2ccncc2)C1)Nc1ccccc1Br ZINC000570683166 567505644 /nfs/dbraw/zinc/50/56/44/567505644.db2.gz BOOMQEZBWSWCOT-OAHLLOKOSA-N 2 1 390.281 3.326 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000552057004 567553318 /nfs/dbraw/zinc/55/33/18/567553318.db2.gz AKJSEXHJNZKUCH-BVBHFADKSA-N 2 1 381.358 3.063 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCC[C@H]21 ZINC000552248895 567570306 /nfs/dbraw/zinc/57/03/06/567570306.db2.gz WMUJALDOXQLXRG-OQIJWPOYSA-N 2 1 378.358 3.490 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3ccnc4ccc(Br)cc43)CC2)C1 ZINC000664599811 567577187 /nfs/dbraw/zinc/57/71/87/567577187.db2.gz BHUPJZFFMRFQIY-OAHLLOKOSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)C1 ZINC000664599811 567577192 /nfs/dbraw/zinc/57/71/92/567577192.db2.gz BHUPJZFFMRFQIY-OAHLLOKOSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c4ccc(Br)cc43)CC2)C1 ZINC000664599811 567577194 /nfs/dbraw/zinc/57/71/94/567577194.db2.gz BHUPJZFFMRFQIY-OAHLLOKOSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3ccnc4cc(Br)ccc43)CC2)C1 ZINC000664599987 567577369 /nfs/dbraw/zinc/57/73/69/567577369.db2.gz QFHGTYZEDPKOII-OAHLLOKOSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)C1 ZINC000664599987 567577372 /nfs/dbraw/zinc/57/73/72/567577372.db2.gz QFHGTYZEDPKOII-OAHLLOKOSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)C1 ZINC000664599987 567577374 /nfs/dbraw/zinc/57/73/74/567577374.db2.gz QFHGTYZEDPKOII-OAHLLOKOSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3ccnc4cc(Br)ccc43)CC2)C1 ZINC000664599986 567577616 /nfs/dbraw/zinc/57/76/16/567577616.db2.gz QFHGTYZEDPKOII-HNNXBMFYSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@H]1CC[N@@H+](C2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)C1 ZINC000664599986 567577620 /nfs/dbraw/zinc/57/76/20/567577620.db2.gz QFHGTYZEDPKOII-HNNXBMFYSA-N 2 1 376.298 3.033 10 0 GGAEMP O[C@H]1CC[N@H+](C2CCN(c3cc[nH+]c4cc(Br)ccc43)CC2)C1 ZINC000664599986 567577627 /nfs/dbraw/zinc/57/76/27/567577627.db2.gz QFHGTYZEDPKOII-HNNXBMFYSA-N 2 1 376.298 3.033 10 0 GGAEMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340006 567580808 /nfs/dbraw/zinc/58/08/08/567580808.db2.gz ITCMHOSIQCEJMP-YJBOKZPZSA-N 2 1 377.330 3.146 10 0 GGAEMP COc1sc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1Br ZINC000530248166 567587925 /nfs/dbraw/zinc/58/79/25/567587925.db2.gz HPXTVRQAZLCXQQ-CYBMUJFWSA-N 2 1 389.359 3.110 10 0 GGAEMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701203 567641100 /nfs/dbraw/zinc/64/11/00/567641100.db2.gz IKVKTLNUSODBHI-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701203 567641107 /nfs/dbraw/zinc/64/11/07/567641107.db2.gz IKVKTLNUSODBHI-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2)[C@H](C)C1 ZINC000440701203 567641114 /nfs/dbraw/zinc/64/11/14/567641114.db2.gz IKVKTLNUSODBHI-RHSMWYFYSA-N 2 1 382.346 3.440 10 0 GGAEMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596651411 567647107 /nfs/dbraw/zinc/64/71/07/567647107.db2.gz PIYONIVNXZBQMC-IINYFYTJSA-N 2 1 378.685 3.422 10 0 GGAEMP Cc1ccc(Br)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000666468462 567679656 /nfs/dbraw/zinc/67/96/56/567679656.db2.gz VKWGZTFSQAJIJN-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP Cc1ccc(Br)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666468462 567679665 /nfs/dbraw/zinc/67/96/65/567679665.db2.gz VKWGZTFSQAJIJN-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1F ZINC000666469757 567680826 /nfs/dbraw/zinc/68/08/26/567680826.db2.gz LWXLAENWJYGKRD-NSHDSACASA-N 2 1 376.879 3.320 10 0 GGAEMP Cc1c(Cl)cc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1F ZINC000666469757 567680831 /nfs/dbraw/zinc/68/08/31/567680831.db2.gz LWXLAENWJYGKRD-NSHDSACASA-N 2 1 376.879 3.320 10 0 GGAEMP Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000666731662 567701201 /nfs/dbraw/zinc/70/12/01/567701201.db2.gz BBRLYPOFTWNHGE-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000666731662 567701206 /nfs/dbraw/zinc/70/12/06/567701206.db2.gz BBRLYPOFTWNHGE-AWEZNQCLSA-N 2 1 385.350 3.151 10 0 GGAEMP C[N@H+]1CC[C@H](NCc2nnc3c(Cl)cc(C(F)(F)F)cn23)CC1(C)C ZINC000623351284 567703270 /nfs/dbraw/zinc/70/32/70/567703270.db2.gz KLQFTCGDWWFRKJ-NSHDSACASA-N 2 1 375.826 3.364 10 0 GGAEMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1(C)C ZINC000442880319 567713521 /nfs/dbraw/zinc/71/35/21/567713521.db2.gz YGVLYCXSXHKBCH-KRWDZBQOSA-N 2 1 396.373 3.278 10 0 GGAEMP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623491183 567714658 /nfs/dbraw/zinc/71/46/58/567714658.db2.gz IKLNNPNDIBPDRD-HNNXBMFYSA-N 2 1 379.346 3.410 10 0 GGAEMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541804 567720295 /nfs/dbraw/zinc/72/02/95/567720295.db2.gz YQKDOESWHFJELP-XJKSGUPXSA-N 2 1 387.337 3.202 10 0 GGAEMP CN(C)c1cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)ncc1Br ZINC000667203463 567734462 /nfs/dbraw/zinc/73/44/62/567734462.db2.gz OVSSNLFWAKQMIM-GFCCVEGCSA-N 2 1 398.349 3.152 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313512 567771242 /nfs/dbraw/zinc/77/12/42/567771242.db2.gz UYVYLGGZBILOJL-OIISXLGYSA-N 2 1 376.488 3.402 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313512 567771247 /nfs/dbraw/zinc/77/12/47/567771247.db2.gz UYVYLGGZBILOJL-OIISXLGYSA-N 2 1 376.488 3.402 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(I)cc2)CC1(C)C ZINC000598980829 567801652 /nfs/dbraw/zinc/80/16/52/567801652.db2.gz YFSRLRWFIXHXEI-AWEZNQCLSA-N 2 1 388.293 3.132 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902023 567805620 /nfs/dbraw/zinc/80/56/20/567805620.db2.gz YUGZVIJDBMKWKX-BBRMVZONSA-N 2 1 398.320 3.381 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1F ZINC000647902026 567806110 /nfs/dbraw/zinc/80/61/10/567806110.db2.gz YUGZVIJDBMKWKX-XJKSGUPXSA-N 2 1 398.320 3.381 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902907 567806207 /nfs/dbraw/zinc/80/62/07/567806207.db2.gz DJUGEOYUEUBYDV-WMLDXEAASA-N 2 1 380.330 3.242 10 0 GGAEMP CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C[C@H](O)CC ZINC000035781189 570448247 /nfs/dbraw/zinc/44/82/47/570448247.db2.gz IINZNVBKRSLACC-LJQANCHMSA-N 2 1 386.540 3.076 10 0 GGAEMP CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C[C@H](O)CC ZINC000035781189 570448252 /nfs/dbraw/zinc/44/82/52/570448252.db2.gz IINZNVBKRSLACC-LJQANCHMSA-N 2 1 386.540 3.076 10 0 GGAEMP COc1cc(C[N@H+](C)Cc2[nH]nc3c2CCC3)ccc1OCC[NH+]1CCCC1 ZINC000055211411 570687506 /nfs/dbraw/zinc/68/75/06/570687506.db2.gz KCYPWWVEIQYWFI-UHFFFAOYSA-N 2 1 384.524 3.014 10 0 GGAEMP COc1cc(C[N@@H+](C)Cc2[nH]nc3c2CCC3)ccc1OCC[NH+]1CCCC1 ZINC000055211411 570687511 /nfs/dbraw/zinc/68/75/11/570687511.db2.gz KCYPWWVEIQYWFI-UHFFFAOYSA-N 2 1 384.524 3.014 10 0 GGAEMP CCOc1cc(C[NH2+]CCC[NH2+]CCO)cc(Cl)c1OCc1ccccc1 ZINC000013732932 570783530 /nfs/dbraw/zinc/78/35/30/570783530.db2.gz ZVMZRZBKAUDTLF-UHFFFAOYSA-N 2 1 392.927 3.379 10 0 GGAEMP C[C@H](/C=C/C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020028391 1399340526 /nfs/dbraw/zinc/34/05/26/1399340526.db2.gz PCETXSPWNPALJW-SIFUEBAJSA-N 2 1 392.632 3.255 10 0 GGAEMP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000045985871 1404264062 /nfs/dbraw/zinc/26/40/62/1404264062.db2.gz DFYGIDZNWUJWFD-UHFFFAOYSA-N 2 1 392.547 3.310 10 0 GGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000067120847 1409013359 /nfs/dbraw/zinc/01/33/59/1409013359.db2.gz DVTYRSDOXYPNAP-GOSISDBHSA-N 2 1 381.520 3.215 10 0 GGAEMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]Cc2ccc(OCC(N)=O)cc2)cc1 ZINC000067120759 1409013371 /nfs/dbraw/zinc/01/33/71/1409013371.db2.gz HLJWWXUGGCPELQ-GOSISDBHSA-N 2 1 381.520 3.215 10 0 GGAEMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([S@@](C)=O)cc3)CC2)oc1C ZINC000085323421 1410039768 /nfs/dbraw/zinc/03/97/68/1410039768.db2.gz BQXNYCDDTWSRCI-SANMLTNESA-N 2 1 375.538 3.031 10 0 GGAEMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc([S@](C)=O)cc3)CC2)oc1C ZINC000085323418 1410040030 /nfs/dbraw/zinc/04/00/30/1410040030.db2.gz BQXNYCDDTWSRCI-AREMUKBSSA-N 2 1 375.538 3.031 10 0 GGAEMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000124793109 1415044786 /nfs/dbraw/zinc/04/47/86/1415044786.db2.gz BAUYAWPUDYZHDL-WZGPROSRSA-N 2 1 397.485 3.476 10 0 GGAEMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cc1 ZINC000128281461 1415953823 /nfs/dbraw/zinc/95/38/23/1415953823.db2.gz FKCLBGLXLBUDGL-IBGZPJMESA-N 2 1 383.492 3.266 10 0 GGAEMP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000128281461 1415953826 /nfs/dbraw/zinc/95/38/26/1415953826.db2.gz FKCLBGLXLBUDGL-IBGZPJMESA-N 2 1 383.492 3.266 10 0 GGAEMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000128281461 1415953831 /nfs/dbraw/zinc/95/38/31/1415953831.db2.gz FKCLBGLXLBUDGL-IBGZPJMESA-N 2 1 383.492 3.266 10 0 GGAEMP Cc1nn(C)c(OCC(F)(F)F)c1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000128285202 1415954832 /nfs/dbraw/zinc/95/48/32/1415954832.db2.gz STNUIPXGIPHKOI-OAHLLOKOSA-N 2 1 397.445 3.307 10 0 GGAEMP CCOc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1OC(F)F ZINC000130388556 1416369328 /nfs/dbraw/zinc/36/93/28/1416369328.db2.gz IALNHQOLYZPAHM-INIZCTEOSA-N 2 1 384.467 3.277 10 0 GGAEMP CCN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(N4CCCC4)nc3)cc2)CC1 ZINC000131195581 1416522208 /nfs/dbraw/zinc/52/22/08/1416522208.db2.gz HTYLGYKTIMNPFM-UHFFFAOYSA-N 2 1 393.579 3.109 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)ccc1OC(F)F ZINC000136567374 1417327101 /nfs/dbraw/zinc/32/71/01/1417327101.db2.gz DOFNIKQERUSHER-SJORKVTESA-N 2 1 384.467 3.154 10 0 GGAEMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1OCC ZINC000136573032 1417327152 /nfs/dbraw/zinc/32/71/52/1417327152.db2.gz BFNKIVJIPNDLGX-PMACEKPBSA-N 2 1 376.541 3.342 10 0 GGAEMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1OCC ZINC000136573079 1417327313 /nfs/dbraw/zinc/32/73/13/1417327313.db2.gz BFNKIVJIPNDLGX-WOJBJXKFSA-N 2 1 376.541 3.342 10 0 GGAEMP COc1cc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc(Cl)c1OC ZINC000136576946 1417328819 /nfs/dbraw/zinc/32/88/19/1417328819.db2.gz AOBSTCMASQLOMH-ZWKOTPCHSA-N 2 1 382.932 3.215 10 0 GGAEMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000156240346 1423739390 /nfs/dbraw/zinc/73/93/90/1423739390.db2.gz UTPIRASOWQTZQO-HXUWFJFHSA-N 2 1 389.540 3.008 10 0 GGAEMP C[C@@H]1CC[N@H+]([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1ccnc1 ZINC000164755226 1425139968 /nfs/dbraw/zinc/13/99/68/1425139968.db2.gz BYCSFFDNQWZEDF-HBGVWJBISA-N 2 1 388.471 3.251 10 0 GGAEMP C[C@@H]1CCN([C@@H]2CC(=O)N(c3cccc4ccccc43)C2=O)C[C@@H]1n1ccnc1 ZINC000164755226 1425139979 /nfs/dbraw/zinc/13/99/79/1425139979.db2.gz BYCSFFDNQWZEDF-HBGVWJBISA-N 2 1 388.471 3.251 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000186259669 1431365093 /nfs/dbraw/zinc/36/50/93/1431365093.db2.gz AOXSSOWJHIGEKH-KRWDZBQOSA-N 2 1 376.545 3.073 10 0 GGAEMP CCOC(=O)c1nn(C)cc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000186259669 1431365097 /nfs/dbraw/zinc/36/50/97/1431365097.db2.gz AOXSSOWJHIGEKH-KRWDZBQOSA-N 2 1 376.545 3.073 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(Br)cc2Cl)CC1 ZINC000237157835 1433390884 /nfs/dbraw/zinc/39/08/84/1433390884.db2.gz CXLQKNROYORDIY-UHFFFAOYSA-N 2 1 388.781 3.466 10 0 GGAEMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000237165443 1433391155 /nfs/dbraw/zinc/39/11/55/1433391155.db2.gz FDJVKOZFVJKAFR-UHFFFAOYSA-N 2 1 382.552 3.024 10 0 GGAEMP COc1ccc([C@@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237320193 1433397164 /nfs/dbraw/zinc/39/71/64/1433397164.db2.gz CEXNWWCOMMSGCJ-XZOQPEGZSA-N 2 1 393.531 3.053 10 0 GGAEMP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245744698 1433509735 /nfs/dbraw/zinc/50/97/35/1433509735.db2.gz SJSXNMRNYUJXTL-NUNAXRQHSA-N 2 1 377.532 3.430 10 0 GGAEMP CN(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245744698 1433509738 /nfs/dbraw/zinc/50/97/38/1433509738.db2.gz SJSXNMRNYUJXTL-NUNAXRQHSA-N 2 1 377.532 3.430 10 0 GGAEMP O=C(CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)NCc1ccccc1 ZINC000245769935 1433514774 /nfs/dbraw/zinc/51/47/74/1433514774.db2.gz XAZYJTRDOALTOW-NUNAXRQHSA-N 2 1 377.532 3.478 10 0 GGAEMP C[C@@H](CCNC(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1)[N@@H+](C)Cc1ccccc1 ZINC000247352486 1433711673 /nfs/dbraw/zinc/71/16/73/1433711673.db2.gz HAXCICBMHPANOI-SVFBPWRDSA-N 2 1 383.540 3.386 10 0 GGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826247 1433824265 /nfs/dbraw/zinc/82/42/65/1433824265.db2.gz GHXHKCMTTOAAMO-MYGLTJDJSA-N 2 1 377.536 3.231 10 0 GGAEMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCCN(c4ncccn4)C2)C3)cc1 ZINC000248826241 1433824329 /nfs/dbraw/zinc/82/43/29/1433824329.db2.gz GHXHKCMTTOAAMO-KJJMTIBFSA-N 2 1 377.536 3.231 10 0 GGAEMP CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257177756 1433893629 /nfs/dbraw/zinc/89/36/29/1433893629.db2.gz BHRJNSOQDPQOFF-BQUSRXHISA-N 2 1 398.595 3.057 10 0 GGAEMP CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257177756 1433893630 /nfs/dbraw/zinc/89/36/30/1433893630.db2.gz BHRJNSOQDPQOFF-BQUSRXHISA-N 2 1 398.595 3.057 10 0 GGAEMP CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257177756 1433893631 /nfs/dbraw/zinc/89/36/31/1433893631.db2.gz BHRJNSOQDPQOFF-BQUSRXHISA-N 2 1 398.595 3.057 10 0 GGAEMP CN(CCc1ccccn1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1C)[C@@H]23 ZINC000257177756 1433893633 /nfs/dbraw/zinc/89/36/33/1433893633.db2.gz BHRJNSOQDPQOFF-BQUSRXHISA-N 2 1 398.595 3.057 10 0 GGAEMP CC(C)Oc1ccccc1C[NH+]1CCC2(CC[C@@H](C[NH+]3CCOCC3)O2)CC1 ZINC000257189467 1433894319 /nfs/dbraw/zinc/89/43/19/1433894319.db2.gz IYHRHHJWEOGOBL-NRFANRHFSA-N 2 1 388.552 3.320 10 0 GGAEMP C[N@H+](Cc1ccncc1)C[C@H]1CCC2(CC[NH+](Cc3ccc(O)cc3)CC2)O1 ZINC000257192173 1433894526 /nfs/dbraw/zinc/89/45/26/1433894526.db2.gz STGKBXWLYPJFOO-JOCHJYFZSA-N 2 1 381.520 3.433 10 0 GGAEMP O=C1[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCN1Cc1ccccc1 ZINC000271433928 1434824590 /nfs/dbraw/zinc/82/45/90/1434824590.db2.gz FCWXEQYEZVYMBP-HSZRJFAPSA-N 2 1 377.532 3.084 10 0 GGAEMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)CC3 ZINC000272818647 1434933420 /nfs/dbraw/zinc/93/34/20/1434933420.db2.gz CQYYKDBICTVKTD-KRWDZBQOSA-N 2 1 383.536 3.268 10 0 GGAEMP CC(C)CC[N@H+]1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@@H]1CCO ZINC000019222204 210230842 /nfs/dbraw/zinc/23/08/42/210230842.db2.gz ASMXYKTYYJWGPX-FQEVSTJZSA-N 2 1 379.614 3.259 10 0 GGAEMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000190433580 212060356 /nfs/dbraw/zinc/06/03/56/212060356.db2.gz AAIKPFLZMWMJBX-VXKWHMMOSA-N 2 1 382.552 3.420 10 0 GGAEMP Cc1cnccc1C[N@@H+](C)Cc1ccc(OC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000096835295 211347439 /nfs/dbraw/zinc/34/74/39/211347439.db2.gz VXLKCGGFNCZGTP-JOCHJYFZSA-N 2 1 383.536 3.248 10 0 GGAEMP COc1ccc2nc(CCC[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)[nH]c2n1 ZINC000095996062 211292131 /nfs/dbraw/zinc/29/21/31/211292131.db2.gz XGHLYQCGNKZLIZ-INIZCTEOSA-N 2 1 380.496 3.037 10 0 GGAEMP COc1ccc2nc(CCC[N@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)[nH]c2n1 ZINC000095996062 211292134 /nfs/dbraw/zinc/29/21/34/211292134.db2.gz XGHLYQCGNKZLIZ-INIZCTEOSA-N 2 1 380.496 3.037 10 0 GGAEMP CC[N@@H+](CCC1CC[NH+](Cc2cc(=O)n3nc(C)sc3n2)CC1)CC(C)C ZINC000095459575 211243679 /nfs/dbraw/zinc/24/36/79/211243679.db2.gz WNIMHLVVHBYZMI-UHFFFAOYSA-N 2 1 391.585 3.039 10 0 GGAEMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000095452458 211243019 /nfs/dbraw/zinc/24/30/19/211243019.db2.gz BXXRRMJKRKGQLS-PMACEKPBSA-N 2 1 389.584 3.323 10 0 GGAEMP C[N@H+](Cc1ccccc1)C[C@@H](O)COc1ccc(C[NH+]2CCSCC2)cc1 ZINC000020538972 210346742 /nfs/dbraw/zinc/34/67/42/210346742.db2.gz PFFILVKOBUYLSL-OAQYLSRUSA-N 2 1 386.561 3.107 10 0 GGAEMP CC[N@H+]1CCC[C@@H]1CN(Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794726 210298419 /nfs/dbraw/zinc/29/84/19/210298419.db2.gz QVXCJSMTDZQFGW-HSZRJFAPSA-N 2 1 388.600 3.035 10 0 GGAEMP CCN1CCC[C@@H]1C[N@@H+](Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794726 210298422 /nfs/dbraw/zinc/29/84/22/210298422.db2.gz QVXCJSMTDZQFGW-HSZRJFAPSA-N 2 1 388.600 3.035 10 0 GGAEMP CCN1CCC[C@@H]1C[N@H+](Cc1cccc(C)n1)CC1CC[NH+](CCOC)CC1 ZINC000019794726 210298425 /nfs/dbraw/zinc/29/84/25/210298425.db2.gz QVXCJSMTDZQFGW-HSZRJFAPSA-N 2 1 388.600 3.035 10 0 GGAEMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057906 567050531 /nfs/dbraw/zinc/05/05/31/567050531.db2.gz FZPIWMSRVFLZTL-RYUDHWBXSA-N 2 1 376.257 3.423 10 0 GGAEMP CN1CCN(C(=O)CC2CC[NH+](Cc3cc(Cl)ccc3Cl)CC2)CC1 ZINC000119615171 564278756 /nfs/dbraw/zinc/27/87/56/564278756.db2.gz PUQGGKZELZKBNI-UHFFFAOYSA-N 2 1 384.351 3.370 10 0 GGAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000123855656 564463442 /nfs/dbraw/zinc/46/34/42/564463442.db2.gz FHYIVOMQUNBRJC-OCCSQVGLSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@H+]1C ZINC000123855656 564463443 /nfs/dbraw/zinc/46/34/43/564463443.db2.gz FHYIVOMQUNBRJC-OCCSQVGLSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855656 564463445 /nfs/dbraw/zinc/46/34/45/564463445.db2.gz FHYIVOMQUNBRJC-OCCSQVGLSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855656 564463447 /nfs/dbraw/zinc/46/34/47/564463447.db2.gz FHYIVOMQUNBRJC-OCCSQVGLSA-N 2 1 386.309 3.331 10 0 GGAEMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000154575680 565045102 /nfs/dbraw/zinc/04/51/02/565045102.db2.gz PTTFGFTXXSWINK-SUMWQHHRSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000154575680 565045107 /nfs/dbraw/zinc/04/51/07/565045107.db2.gz PTTFGFTXXSWINK-SUMWQHHRSA-N 2 1 391.313 3.446 10 0 GGAEMP CCC[C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000155662348 565070310 /nfs/dbraw/zinc/07/03/10/565070310.db2.gz XTMJHLLDCAODNF-GOSISDBHSA-N 2 1 396.373 3.260 10 0 GGAEMP CCC[C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000155662232 565070387 /nfs/dbraw/zinc/07/03/87/565070387.db2.gz XTMJHLLDCAODNF-SFHVURJKSA-N 2 1 396.373 3.260 10 0 GGAEMP C[N@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4Br)o3)CC[C@@H]21 ZINC000158859711 565184229 /nfs/dbraw/zinc/18/42/29/565184229.db2.gz HGNBHXMGGAGPOE-CJNGLKHVSA-N 2 1 391.313 3.415 10 0 GGAEMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000187115300 565311166 /nfs/dbraw/zinc/31/11/66/565311166.db2.gz CNJNTRCMHOHESM-SNVBAGLBSA-N 2 1 391.151 3.225 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720005 565426080 /nfs/dbraw/zinc/42/60/80/565426080.db2.gz UPHFFYXPJHWYCX-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720005 565426084 /nfs/dbraw/zinc/42/60/84/565426084.db2.gz UPHFFYXPJHWYCX-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)[C@@H](C)C1 ZINC000298720005 565426086 /nfs/dbraw/zinc/42/60/86/565426086.db2.gz UPHFFYXPJHWYCX-YOEHRIQHSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298719997 565426522 /nfs/dbraw/zinc/42/65/22/565426522.db2.gz UPHFFYXPJHWYCX-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298719997 565426527 /nfs/dbraw/zinc/42/65/27/565426527.db2.gz UPHFFYXPJHWYCX-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2Br)[C@H](C)C1 ZINC000298719997 565426532 /nfs/dbraw/zinc/42/65/32/565426532.db2.gz UPHFFYXPJHWYCX-PBHICJAKSA-N 2 1 382.346 3.440 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000301687361 565504464 /nfs/dbraw/zinc/50/44/64/565504464.db2.gz XHUVYFQNNIASBI-IRXDYDNUSA-N 2 1 376.298 3.133 10 0 GGAEMP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727126 565507120 /nfs/dbraw/zinc/50/71/20/565507120.db2.gz QPSSEWYJLCJEMM-CVEARBPZSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000301727126 565507123 /nfs/dbraw/zinc/50/71/23/565507123.db2.gz QPSSEWYJLCJEMM-CVEARBPZSA-N 2 1 390.325 3.423 10 0 GGAEMP C[C@H](NCc1c(Br)cnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278710266 565574032 /nfs/dbraw/zinc/57/40/32/565574032.db2.gz KHXCKBVAJKUZAB-HOCLYGCPSA-N 2 1 377.330 3.183 10 0 GGAEMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000178069665 565894746 /nfs/dbraw/zinc/89/47/46/565894746.db2.gz UYHOARDOJHGWJM-SJLPKXTDSA-N 2 1 397.357 3.489 10 0 GGAEMP COc1cc(CNC[C@@H]2CCC[N@@H+]2C)cc(Br)c1OC(F)F ZINC000237242333 565954328 /nfs/dbraw/zinc/95/43/28/565954328.db2.gz SZGXPGDGNHLIMD-NSHDSACASA-N 2 1 379.245 3.243 10 0 GGAEMP COc1c(Br)cc(Br)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414951660 565966786 /nfs/dbraw/zinc/96/67/86/565966786.db2.gz HWXPQGORNDFHNR-ZANVPECISA-N 2 1 392.135 3.308 10 0 GGAEMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244913 566022634 /nfs/dbraw/zinc/02/26/34/566022634.db2.gz SEFDYYQNANMIAB-HUUCEWRRSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244913 566022638 /nfs/dbraw/zinc/02/26/38/566022638.db2.gz SEFDYYQNANMIAB-HUUCEWRRSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244913 566022641 /nfs/dbraw/zinc/02/26/41/566022641.db2.gz SEFDYYQNANMIAB-HUUCEWRRSA-N 2 1 375.340 3.397 10 0 GGAEMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000246244913 566022645 /nfs/dbraw/zinc/02/26/45/566022645.db2.gz SEFDYYQNANMIAB-HUUCEWRRSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(Cl)cccc2Cl)[C@@H](C)C1 ZINC000246413001 566028324 /nfs/dbraw/zinc/02/83/24/566028324.db2.gz BICXPHPBYFEANY-ZQIUZPCESA-N 2 1 375.340 3.395 10 0 GGAEMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334014 566059425 /nfs/dbraw/zinc/05/94/25/566059425.db2.gz YXNXEDHLVNIHBJ-MAUKXSAKSA-N 2 1 396.373 3.070 10 0 GGAEMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982079 566069909 /nfs/dbraw/zinc/06/99/09/566069909.db2.gz IKUXEZJGOJNGLQ-SUMWQHHRSA-N 2 1 398.320 3.333 10 0 GGAEMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982079 566069915 /nfs/dbraw/zinc/06/99/15/566069915.db2.gz IKUXEZJGOJNGLQ-SUMWQHHRSA-N 2 1 398.320 3.333 10 0 GGAEMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000247982079 566069920 /nfs/dbraw/zinc/06/99/20/566069920.db2.gz IKUXEZJGOJNGLQ-SUMWQHHRSA-N 2 1 398.320 3.333 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000248172056 566073748 /nfs/dbraw/zinc/07/37/48/566073748.db2.gz UYHOARDOJHGWJM-WMZOPIPTSA-N 2 1 397.357 3.489 10 0 GGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261702336 566130690 /nfs/dbraw/zinc/13/06/90/566130690.db2.gz IOFLMCLZTWJKTR-QWQRMKEZSA-N 2 1 382.346 3.002 10 0 GGAEMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261702330 566130897 /nfs/dbraw/zinc/13/08/97/566130897.db2.gz IOFLMCLZTWJKTR-IYOUNJFTSA-N 2 1 382.346 3.002 10 0 GGAEMP CC[NH+](CC)CCN(Cc1noc(C[NH3+])n1)Cc1ccc(Cl)c(Cl)c1 ZINC000261804537 566135297 /nfs/dbraw/zinc/13/52/97/566135297.db2.gz RDEVRRCHCSASAP-UHFFFAOYSA-N 2 1 386.327 3.179 10 0 GGAEMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)s2)cs1 ZINC000261907984 566140658 /nfs/dbraw/zinc/14/06/58/566140658.db2.gz IORWCQDGHPQSBE-BRWVUGGUSA-N 2 1 377.579 3.469 10 0 GGAEMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000181720960 566162117 /nfs/dbraw/zinc/16/21/17/566162117.db2.gz WYBAZQOCXCZFGR-ZIAGYGMSSA-N 2 1 380.330 3.482 10 0 GGAEMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)c1 ZINC000625024008 566266497 /nfs/dbraw/zinc/26/64/97/566266497.db2.gz HRVGJQCVJYXBSA-AWEZNQCLSA-N 2 1 377.476 3.255 10 0 GGAEMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376059 566274463 /nfs/dbraw/zinc/27/44/63/566274463.db2.gz AETZMTVWUYMZAY-QILLFSRXSA-N 2 1 394.357 3.090 10 0 GGAEMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000420376059 566274473 /nfs/dbraw/zinc/27/44/73/566274473.db2.gz AETZMTVWUYMZAY-QILLFSRXSA-N 2 1 394.357 3.090 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397120 566277018 /nfs/dbraw/zinc/27/70/18/566277018.db2.gz MNBKHEFAOYLBGT-QAPCUYQASA-N 2 1 384.351 3.416 10 0 GGAEMP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397120 566277021 /nfs/dbraw/zinc/27/70/21/566277021.db2.gz MNBKHEFAOYLBGT-QAPCUYQASA-N 2 1 384.351 3.416 10 0 GGAEMP O=C1Nc2ccc(Br)cc2CC[C@@H]1N1CCC(c2c[nH]cn2)CC1 ZINC000625258845 566300436 /nfs/dbraw/zinc/30/04/36/566300436.db2.gz AJVPNWXCALAVQW-KRWDZBQOSA-N 2 1 389.297 3.305 10 0 GGAEMP Brc1ccn2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000576080194 566313605 /nfs/dbraw/zinc/31/36/05/566313605.db2.gz SJWSRJSSLNQXNA-UHFFFAOYSA-N 2 1 377.330 3.405 10 0 GGAEMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000482884523 566341431 /nfs/dbraw/zinc/34/14/31/566341431.db2.gz FIHVPJRUCOSRJG-GOSISDBHSA-N 2 1 396.373 3.433 10 0 GGAEMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000463368281 566403678 /nfs/dbraw/zinc/40/36/78/566403678.db2.gz OVVGZIIHMVSGAP-UHFFFAOYSA-N 2 1 384.351 3.337 10 0 GGAEMP Brc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577372814 566428991 /nfs/dbraw/zinc/42/89/91/566428991.db2.gz SZLYXJCGFRMWSA-GOSISDBHSA-N 2 1 389.341 3.432 10 0 GGAEMP Brc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000577372814 566428997 /nfs/dbraw/zinc/42/89/97/566428997.db2.gz SZLYXJCGFRMWSA-GOSISDBHSA-N 2 1 389.341 3.432 10 0 GGAEMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422955651 566467205 /nfs/dbraw/zinc/46/72/05/566467205.db2.gz MTZXDJVOBAAKCP-LBPRGKRZSA-N 2 1 377.286 3.244 10 0 GGAEMP FC(F)(F)c1cc(Br)ccc1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423020662 566468942 /nfs/dbraw/zinc/46/89/42/566468942.db2.gz CMWHWLLVDVIQRX-LSDHHAIUSA-N 2 1 393.247 3.325 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650707268 566471550 /nfs/dbraw/zinc/47/15/50/566471550.db2.gz BXOJEPJTXTVDSR-XCRHUMRWSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1c(Br)cccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723355 566473503 /nfs/dbraw/zinc/47/35/03/566473503.db2.gz MHMNJWPCWKOCRH-UAGQMJEPSA-N 2 1 383.330 3.319 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722326 566473626 /nfs/dbraw/zinc/47/36/26/566473626.db2.gz POBNFIPLKBGABF-VNQPRFMTSA-N 2 1 397.313 3.039 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722326 566473633 /nfs/dbraw/zinc/47/36/33/566473633.db2.gz POBNFIPLKBGABF-VNQPRFMTSA-N 2 1 397.313 3.039 10 0 GGAEMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)c(OC)cc1Br ZINC000650718739 566474358 /nfs/dbraw/zinc/47/43/58/566474358.db2.gz VNXXEGCCPBTXHE-UHFFFAOYSA-N 2 1 379.298 3.476 10 0 GGAEMP Cc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423161647 566480723 /nfs/dbraw/zinc/48/07/23/566480723.db2.gz NYBKYQCQIMTFQJ-UKRRQHHQSA-N 2 1 378.314 3.067 10 0 GGAEMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423507953 566491429 /nfs/dbraw/zinc/49/14/29/566491429.db2.gz KFLSCJXSUJZUAC-WTNGLUPJSA-N 2 1 396.348 3.382 10 0 GGAEMP Brc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519361 566492481 /nfs/dbraw/zinc/49/24/81/566492481.db2.gz PRFPZHDSFLPHHS-FAFZWHIHSA-N 2 1 378.358 3.242 10 0 GGAEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Br)c(F)c1 ZINC000423519545 566492854 /nfs/dbraw/zinc/49/28/54/566492854.db2.gz PYCMOWCMMOCBDV-JEYLPNPQSA-N 2 1 384.337 3.455 10 0 GGAEMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(Br)c1 ZINC000423520233 566493423 /nfs/dbraw/zinc/49/34/23/566493423.db2.gz RAFBDXWVWIBQTR-JEYLPNPQSA-N 2 1 384.337 3.455 10 0 GGAEMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(Br)c1 ZINC000423520231 566493516 /nfs/dbraw/zinc/49/35/16/566493516.db2.gz RAFBDXWVWIBQTR-IUDNXUCKSA-N 2 1 384.337 3.455 10 0 GGAEMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000449150494 566533178 /nfs/dbraw/zinc/53/31/78/566533178.db2.gz RLGROFQLSZKZLJ-DYVFJYSZSA-N 2 1 385.321 3.402 10 0 GGAEMP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578985803 566570494 /nfs/dbraw/zinc/57/04/94/566570494.db2.gz VSWICSRNCHJGCF-DZKIICNBSA-N 2 1 377.838 3.102 10 0 GGAEMP CC(C)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000578985803 566570499 /nfs/dbraw/zinc/57/04/99/566570499.db2.gz VSWICSRNCHJGCF-DZKIICNBSA-N 2 1 377.838 3.102 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364142 566604926 /nfs/dbraw/zinc/60/49/26/566604926.db2.gz ZLIWHSJKHZQOTR-NJAFHUGGSA-N 2 1 383.330 3.189 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364140 566604985 /nfs/dbraw/zinc/60/49/85/566604985.db2.gz ZLIWHSJKHZQOTR-BPQIPLTHSA-N 2 1 383.330 3.189 10 0 GGAEMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc(Br)c1OC ZINC000513708563 566619268 /nfs/dbraw/zinc/61/92/68/566619268.db2.gz TZJUHBAEWKMBNP-IMJJTQAJSA-N 2 1 383.330 3.429 10 0 GGAEMP Brc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000513788196 566624852 /nfs/dbraw/zinc/62/48/52/566624852.db2.gz MSVYZNZBXBCJSK-UHFFFAOYSA-N 2 1 381.314 3.486 10 0 GGAEMP COc1cc(Br)ccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629558181 566666132 /nfs/dbraw/zinc/66/61/32/566666132.db2.gz CJVOWLHEWQRJNM-ZBFHGGJFSA-N 2 1 381.314 3.116 10 0 GGAEMP FC(F)Oc1c(Br)cccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580194643 566672538 /nfs/dbraw/zinc/67/25/38/566672538.db2.gz ZDLAPNYGQDOZPH-TXEJJXNPSA-N 2 1 375.257 3.482 10 0 GGAEMP CC(C)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1Br ZINC000561199286 566684646 /nfs/dbraw/zinc/68/46/46/566684646.db2.gz KSXKIRYEUDTSJE-UHFFFAOYSA-N 2 1 394.357 3.017 10 0 GGAEMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451189776 566773299 /nfs/dbraw/zinc/77/32/99/566773299.db2.gz KAVLFTXMMXDOJA-INIZCTEOSA-N 2 1 395.288 3.361 10 0 GGAEMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Cc2cccc(I)c2)C1 ZINC000451189776 566773304 /nfs/dbraw/zinc/77/33/04/566773304.db2.gz KAVLFTXMMXDOJA-INIZCTEOSA-N 2 1 395.288 3.361 10 0 GGAEMP Brc1cccc2c1C[C@@H]1[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]21 ZINC000631665036 566814899 /nfs/dbraw/zinc/81/48/99/566814899.db2.gz OJGJTTIMVGWUGT-OBZTVWKBSA-N 2 1 391.353 3.320 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@@H+]3CCOC[C@H]3C2)c1C ZINC000543451827 566884809 /nfs/dbraw/zinc/88/48/09/566884809.db2.gz KFXGYDYOWCBPRB-OAHLLOKOSA-N 2 1 376.298 3.135 10 0 GGAEMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@H+]3CCOC[C@H]3C2)c1C ZINC000543451827 566884817 /nfs/dbraw/zinc/88/48/17/566884817.db2.gz KFXGYDYOWCBPRB-OAHLLOKOSA-N 2 1 376.298 3.135 10 0 GGAEMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(F)c(I)c2)C1 ZINC000453057905 567051169 /nfs/dbraw/zinc/05/11/69/567051169.db2.gz FZPIWMSRVFLZTL-NWDGAFQWSA-N 2 1 376.257 3.423 10 0 GGAEMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3Br)cc2)C1 ZINC000657595722 567073782 /nfs/dbraw/zinc/07/37/82/567073782.db2.gz JOBWLMCOELPYAQ-KRWDZBQOSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3Br)cc2)C1 ZINC000657595722 567073792 /nfs/dbraw/zinc/07/37/92/567073792.db2.gz JOBWLMCOELPYAQ-KRWDZBQOSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)s3)cc2)C1 ZINC000657596102 567074063 /nfs/dbraw/zinc/07/40/63/567074063.db2.gz UWGPAJWAPBKEQA-HNNXBMFYSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cc3F)cc2)C1 ZINC000657593994 567074872 /nfs/dbraw/zinc/07/48/72/567074872.db2.gz GAUSMLYKXUNWBW-SFHVURJKSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3sccc3Br)cc2)C1 ZINC000657594848 567075116 /nfs/dbraw/zinc/07/51/16/567075116.db2.gz DICOFROCIUOMKM-HNNXBMFYSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Br)cc2)C1 ZINC000657596988 567075261 /nfs/dbraw/zinc/07/52/61/567075261.db2.gz PZAAUVJUKRJRQK-SFHVURJKSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Br)cc2)C1 ZINC000657596988 567075264 /nfs/dbraw/zinc/07/52/64/567075264.db2.gz PZAAUVJUKRJRQK-SFHVURJKSA-N 2 1 393.300 3.445 10 0 GGAEMP Oc1ccc(Br)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657596431 567075281 /nfs/dbraw/zinc/07/52/81/567075281.db2.gz NFMSHOIAWZKZCL-GOSISDBHSA-N 2 1 391.309 3.011 10 0 GGAEMP Oc1ccc(Br)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657596431 567075284 /nfs/dbraw/zinc/07/52/84/567075284.db2.gz NFMSHOIAWZKZCL-GOSISDBHSA-N 2 1 391.309 3.011 10 0 GGAEMP Oc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000657597301 567075301 /nfs/dbraw/zinc/07/53/01/567075301.db2.gz SPAYTBYUXZBRAE-QGZVFWFLSA-N 2 1 391.309 3.011 10 0 GGAEMP Oc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1Br ZINC000657597301 567075305 /nfs/dbraw/zinc/07/53/05/567075305.db2.gz SPAYTBYUXZBRAE-QGZVFWFLSA-N 2 1 391.309 3.011 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@@H]2CCC[C@H]21 ZINC000453367421 567080516 /nfs/dbraw/zinc/08/05/16/567080516.db2.gz MMFZCPKHVCFETQ-SKSLQVBQSA-N 2 1 399.348 3.202 10 0 GGAEMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141086 567124341 /nfs/dbraw/zinc/12/43/41/567124341.db2.gz WEWNCWNWZSWAHK-KDOFPFPSSA-N 2 1 390.325 3.262 10 0 GGAEMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108914 567126234 /nfs/dbraw/zinc/12/62/34/567126234.db2.gz IWNOBJRQYMXLRZ-CABCVRRESA-N 2 1 375.340 3.443 10 0 GGAEMP CC(C)C[C@H]([NH2+]Cc1ccc(F)c(Cl)c1Cl)C(=O)NCC[NH+](C)C ZINC000432252426 567140415 /nfs/dbraw/zinc/14/04/15/567140415.db2.gz GCHUZJSVWZDZCE-AWEZNQCLSA-N 2 1 378.319 3.315 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000659290770 567200210 /nfs/dbraw/zinc/20/02/10/567200210.db2.gz ALNFRKQJDICKTD-GFCCVEGCSA-N 2 1 398.370 3.204 10 0 GGAEMP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000659296648 567202341 /nfs/dbraw/zinc/20/23/41/567202341.db2.gz HDPPLOFTSXYEGT-UHFFFAOYSA-N 2 1 378.295 3.012 10 0 GGAEMP C[NH+](C)CCN(C(=O)c1sc2c(c1Br)C[NH2+]C2)C1CCCC1 ZINC000659316506 567203952 /nfs/dbraw/zinc/20/39/52/567203952.db2.gz NYTKLGULWSSGOD-UHFFFAOYSA-N 2 1 386.359 3.060 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)cc1Br ZINC000567586065 567259781 /nfs/dbraw/zinc/25/97/81/567259781.db2.gz FAHPJQPJYSPUKU-MRXNPFEDSA-N 2 1 394.288 3.331 10 0 GGAEMP CN1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@H]1c1ccc(Br)cc1 ZINC000638838389 567275052 /nfs/dbraw/zinc/27/50/52/567275052.db2.gz HVKLIPRAHZADJM-MOPGFXCFSA-N 2 1 378.358 3.436 10 0 GGAEMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000567889442 567286914 /nfs/dbraw/zinc/28/69/14/567286914.db2.gz YNTPSPOBTOAPFB-KFWWJZLASA-N 2 1 380.330 3.016 10 0 GGAEMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Br)c1 ZINC000567889442 567286921 /nfs/dbraw/zinc/28/69/21/567286921.db2.gz YNTPSPOBTOAPFB-KFWWJZLASA-N 2 1 380.330 3.016 10 0 GGAEMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000617506541 567317354 /nfs/dbraw/zinc/31/73/54/567317354.db2.gz RUHUXFZHXXTYRZ-HOTGVXAUSA-N 2 1 398.389 3.016 10 0 GGAEMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)Cc1ccc(Br)cc1 ZINC000617506541 567317357 /nfs/dbraw/zinc/31/73/57/567317357.db2.gz RUHUXFZHXXTYRZ-HOTGVXAUSA-N 2 1 398.389 3.016 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@](C)([NH3+])c2ccccc2)cc1Br ZINC000569004627 567372342 /nfs/dbraw/zinc/37/23/42/567372342.db2.gz IJTNORQWTPZOHG-SFHVURJKSA-N 2 1 376.298 3.323 10 0 GGAEMP C[C@H](CC(=O)Nc1ccc(C[NH+](C)C)c(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000569338161 567398102 /nfs/dbraw/zinc/39/81/02/567398102.db2.gz FNKJZRXXULYYEP-KGLIPLIRSA-N 2 1 382.346 3.475 10 0 GGAEMP CC[C@H](c1ccc(Br)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641133496 567415930 /nfs/dbraw/zinc/41/59/30/567415930.db2.gz FWFQGZPJHFJXAE-GOSISDBHSA-N 2 1 392.345 3.006 10 0 GGAEMP CC[C@@H](c1ccc(Br)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641133501 567415954 /nfs/dbraw/zinc/41/59/54/567415954.db2.gz FWFQGZPJHFJXAE-SFHVURJKSA-N 2 1 392.345 3.006 10 0 GGAEMP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000662258906 567422065 /nfs/dbraw/zinc/42/20/65/567422065.db2.gz XXIYKWCYTAVHLB-UKRRQHHQSA-N 2 1 383.355 3.439 10 0 GGAEMP Brc1cccc(C[C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282069 567424244 /nfs/dbraw/zinc/42/42/44/567424244.db2.gz CQJRHOIGLNQJJG-ZWKOTPCHSA-N 2 1 379.342 3.367 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662292281 567426095 /nfs/dbraw/zinc/42/60/95/567426095.db2.gz CYNDXKAYYJHTMU-MRXNPFEDSA-N 2 1 394.357 3.489 10 0 GGAEMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1 ZINC000662293640 567426270 /nfs/dbraw/zinc/42/62/70/567426270.db2.gz GZHBLOFUSOUVJS-OAHLLOKOSA-N 2 1 380.330 3.099 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000662323144 567427441 /nfs/dbraw/zinc/42/74/41/567427441.db2.gz RCWXLQXYCOWQGL-HNNXBMFYSA-N 2 1 388.339 3.365 10 0 GGAEMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CCO1 ZINC000662323144 567427444 /nfs/dbraw/zinc/42/74/44/567427444.db2.gz RCWXLQXYCOWQGL-HNNXBMFYSA-N 2 1 388.339 3.365 10 0 GGAEMP COc1cc(Br)ccc1CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323562 567427590 /nfs/dbraw/zinc/42/75/90/567427590.db2.gz NMJODCMXVMAKTL-GOSISDBHSA-N 2 1 399.373 3.433 10 0 GGAEMP C[NH+](C)Cc1ccccc1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662354050 567428409 /nfs/dbraw/zinc/42/84/09/567428409.db2.gz AXSJUMRAHMOVFX-UHFFFAOYSA-N 2 1 394.338 3.105 10 0 GGAEMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662457923 567438184 /nfs/dbraw/zinc/43/81/84/567438184.db2.gz GAOQJXWNCNWIRK-LLVKDONJSA-N 2 1 386.359 3.108 10 0 GGAEMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662457923 567438188 /nfs/dbraw/zinc/43/81/88/567438188.db2.gz GAOQJXWNCNWIRK-LLVKDONJSA-N 2 1 386.359 3.108 10 0 GGAEMP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662522768 567444554 /nfs/dbraw/zinc/44/45/54/567444554.db2.gz DIMVGSINKZTFKE-LLVKDONJSA-N 2 1 388.375 3.354 10 0 GGAEMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([NH+]2CCCCC2)CC1 ZINC000662524124 567445296 /nfs/dbraw/zinc/44/52/96/567445296.db2.gz HVUNCZCGMDGCGD-UHFFFAOYSA-N 2 1 398.370 3.204 10 0 GGAEMP CCN(CCC[NH+](CC)CC)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662533664 567445864 /nfs/dbraw/zinc/44/58/64/567445864.db2.gz BPUFBWYLTUWJCF-UHFFFAOYSA-N 2 1 388.375 3.308 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)c2ccccc2CC[NH3+])cc1Br ZINC000569984141 567449482 /nfs/dbraw/zinc/44/94/82/567449482.db2.gz ZHKJTUPKXSECQL-UHFFFAOYSA-N 2 1 376.298 3.264 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)CNC3)C[C@@H]1C ZINC000662743906 567461381 /nfs/dbraw/zinc/46/13/81/567461381.db2.gz WZXTUZKPQNZWEZ-QWRGUYRKSA-N 2 1 386.359 3.059 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@@H]1C ZINC000662743906 567461389 /nfs/dbraw/zinc/46/13/89/567461389.db2.gz WZXTUZKPQNZWEZ-QWRGUYRKSA-N 2 1 386.359 3.059 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000570553180 567495080 /nfs/dbraw/zinc/49/50/80/567495080.db2.gz ARUMOWKNSHGURA-XGXHKWSGSA-N 2 1 381.358 3.063 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@H]([NH3+])Cc2ccccc2)cc1Br ZINC000644151489 567536397 /nfs/dbraw/zinc/53/63/97/567536397.db2.gz LLQHRARCKHTYPJ-QGZVFWFLSA-N 2 1 376.298 3.019 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552248894 567570555 /nfs/dbraw/zinc/57/05/55/567570555.db2.gz WMUJALDOXQLXRG-BVBHFADKSA-N 2 1 378.358 3.490 10 0 GGAEMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)nc12 ZINC000552283462 567573322 /nfs/dbraw/zinc/57/33/22/567573322.db2.gz DPSFTJIXWQPNTL-RCCFBDPRSA-N 2 1 391.357 3.410 10 0 GGAEMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000552283460 567573699 /nfs/dbraw/zinc/57/36/99/567573699.db2.gz DPSFTJIXWQPNTL-KURKYZTESA-N 2 1 391.357 3.410 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3nccc4cc(Br)ccc43)CC2)C1 ZINC000664596270 567577451 /nfs/dbraw/zinc/57/74/51/567577451.db2.gz IHQVVWQXIYKMLM-MRXNPFEDSA-N 2 1 376.298 3.033 10 0 GGAEMP Brc1ccccc1CN1CCC([NH2+][C@H]2CC[NH2+]C23CCC3)CC1 ZINC000530177845 567579816 /nfs/dbraw/zinc/57/98/16/567579816.db2.gz IMFYCHVMHCTZQE-SFHVURJKSA-N 2 1 378.358 3.288 10 0 GGAEMP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)c(Cl)c1 ZINC000530238366 567585993 /nfs/dbraw/zinc/58/59/93/567585993.db2.gz MOIBDTBTONXCRR-HNNXBMFYSA-N 2 1 386.323 3.022 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1Br ZINC000572365202 567634008 /nfs/dbraw/zinc/63/40/08/567634008.db2.gz GPDNKUSMTHNMQJ-DQYPLSBCSA-N 2 1 380.330 3.370 10 0 GGAEMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596651413 567646791 /nfs/dbraw/zinc/64/67/91/567646791.db2.gz PIYONIVNXZBQMC-YGRLFVJLSA-N 2 1 378.685 3.422 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@@H]21 ZINC000572655315 567656323 /nfs/dbraw/zinc/65/63/23/567656323.db2.gz YVNYTDMDTXBQCY-FZCLSBEQSA-N 2 1 378.358 3.490 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3Br)C2)[C@@H]2CCC[C@H]21 ZINC000572655318 567656697 /nfs/dbraw/zinc/65/66/97/567656697.db2.gz YVNYTDMDTXBQCY-MXSMSXNCSA-N 2 1 378.358 3.490 10 0 GGAEMP C[C@H](NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705948 567674920 /nfs/dbraw/zinc/67/49/20/567674920.db2.gz DZBFKBPPKHUTOO-GXTWGEPZSA-N 2 1 388.375 3.104 10 0 GGAEMP C[C@H](NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1sccc1Br ZINC000531705948 567674926 /nfs/dbraw/zinc/67/49/26/567674926.db2.gz DZBFKBPPKHUTOO-GXTWGEPZSA-N 2 1 388.375 3.104 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)cc1Br ZINC000572999454 567681030 /nfs/dbraw/zinc/68/10/30/567681030.db2.gz XQAUISYGWLVSBD-QGZVFWFLSA-N 2 1 388.309 3.336 10 0 GGAEMP C[NH+]1CCC2(CC1)C[N@H+](CCCC(=O)c1ccc(Br)cc1)CCO2 ZINC000646106698 567695679 /nfs/dbraw/zinc/69/56/79/567695679.db2.gz MHWDHNMMCFRJPH-UHFFFAOYSA-N 2 1 395.341 3.209 10 0 GGAEMP C[NH+]1CCC2(CC1)C[N@@H+](CCCC(=O)c1ccc(Br)cc1)CCO2 ZINC000646106698 567695691 /nfs/dbraw/zinc/69/56/91/567695691.db2.gz MHWDHNMMCFRJPH-UHFFFAOYSA-N 2 1 395.341 3.209 10 0 GGAEMP CN(Cc1ccccc1Br)C(=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623412880 567708772 /nfs/dbraw/zinc/70/87/72/567708772.db2.gz BBOWOFOAXQBJQV-INIZCTEOSA-N 2 1 396.373 3.260 10 0 GGAEMP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)ncc1Br ZINC000623526552 567718558 /nfs/dbraw/zinc/71/85/58/567718558.db2.gz GLKYFNGHFDTLIS-UHFFFAOYSA-N 2 1 393.329 3.168 10 0 GGAEMP Cc1ccc(C[C@@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541629 567720035 /nfs/dbraw/zinc/72/00/35/567720035.db2.gz RCLGUWASVPMXIN-IAGOWNOFSA-N 2 1 383.374 3.371 10 0 GGAEMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623542228 567720181 /nfs/dbraw/zinc/72/01/81/567720181.db2.gz SCSNILHNECWLNA-RHSMWYFYSA-N 2 1 399.373 3.071 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1Br ZINC000646496948 567720283 /nfs/dbraw/zinc/72/02/83/567720283.db2.gz LKVGKGVZKNOQCF-JKSUJKDBSA-N 2 1 380.330 3.085 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(F)c(Br)c2)CC1(C)C ZINC000623542338 567720380 /nfs/dbraw/zinc/72/03/80/567720380.db2.gz WKHYSAZGQSOVJL-GJZGRUSLSA-N 2 1 387.337 3.202 10 0 GGAEMP Cc1ccc(C[C@@H](CO)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1Br ZINC000623541631 567720949 /nfs/dbraw/zinc/72/09/49/567720949.db2.gz RCLGUWASVPMXIN-SJORKVTESA-N 2 1 383.374 3.371 10 0 GGAEMP C[N@H+]1C[C@@H](CNCc2ncc(Br)cc2F)[C@H](c2ccccc2)C1 ZINC000623557919 567722120 /nfs/dbraw/zinc/72/21/20/567722120.db2.gz LOINNAIUYBYIKS-ZBFHGGJFSA-N 2 1 378.289 3.418 10 0 GGAEMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623873414 567743241 /nfs/dbraw/zinc/74/32/41/567743241.db2.gz HMQCSIFCVUVBJM-GFCCVEGCSA-N 2 1 379.854 3.385 10 0 GGAEMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000623891112 567745354 /nfs/dbraw/zinc/74/53/54/567745354.db2.gz DSDNQVZYECVIFD-OAHLLOKOSA-N 2 1 396.373 3.351 10 0 GGAEMP Cc1ccc(Br)cc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000623891111 567745404 /nfs/dbraw/zinc/74/54/04/567745404.db2.gz DSDNQVZYECVIFD-HNNXBMFYSA-N 2 1 396.373 3.351 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1Br ZINC000647901615 567805595 /nfs/dbraw/zinc/80/55/95/567805595.db2.gz RPERTQDCSYWEQN-GDBMZVCRSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(Br)c1 ZINC000647902909 567806242 /nfs/dbraw/zinc/80/62/42/567806242.db2.gz DJUGEOYUEUBYDV-YOEHRIQHSA-N 2 1 380.330 3.242 10 0 GGAEMP C[NH+]1CCC(N2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C[C@H]2CCO)CC1 ZINC000104400553 570257694 /nfs/dbraw/zinc/25/76/94/570257694.db2.gz QUNSGWRZDUBGKM-RUZDIDTESA-N 2 1 393.575 3.316 10 0 GGAEMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]Cc2c[nH]nc2-c2cccnc2)C[C@H](C)O1 ZINC000237776041 570395843 /nfs/dbraw/zinc/39/58/43/570395843.db2.gz UUMRINVWULRCQU-HDICACEKSA-N 2 1 391.519 3.371 10 0 GGAEMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(C(C)=O)c2)C[C@@H]2CCCO2)CC1 ZINC000011874755 570589980 /nfs/dbraw/zinc/58/99/80/570589980.db2.gz QVOYSPXYZAWJMQ-QHCPKHFHSA-N 2 1 388.552 3.229 10 0 GGAEMP COCC[N@H+]1CCC[C@@]2(CC[NH+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570229 570680733 /nfs/dbraw/zinc/68/07/33/570680733.db2.gz AESSXTZRMJWKSO-HSZRJFAPSA-N 2 1 382.552 3.423 10 0 GGAEMP COCC[NH+]1CCC[C@@]2(CC[N@H+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570229 570680736 /nfs/dbraw/zinc/68/07/36/570680736.db2.gz AESSXTZRMJWKSO-HSZRJFAPSA-N 2 1 382.552 3.423 10 0 GGAEMP COCC[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c(C)cc(C)cc3-n3cccn3)C2)C1 ZINC000012570229 570680738 /nfs/dbraw/zinc/68/07/38/570680738.db2.gz AESSXTZRMJWKSO-HSZRJFAPSA-N 2 1 382.552 3.423 10 0 GGAEMP C[C@@H](/C=C/C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000020028392 1399340692 /nfs/dbraw/zinc/34/06/92/1399340692.db2.gz PCETXSPWNPALJW-OFAQMXQXSA-N 2 1 392.632 3.255 10 0 GGAEMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)CCO1 ZINC000063524178 1408366922 /nfs/dbraw/zinc/36/69/22/1408366922.db2.gz FESYGAJLCZKXOY-SFHVURJKSA-N 2 1 382.504 3.358 10 0 GGAEMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)CCO1 ZINC000063524178 1408366928 /nfs/dbraw/zinc/36/69/28/1408366928.db2.gz FESYGAJLCZKXOY-SFHVURJKSA-N 2 1 382.504 3.358 10 0 GGAEMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000067213154 1409044810 /nfs/dbraw/zinc/04/48/10/1409044810.db2.gz DZAGURFYXYEQKJ-UHFFFAOYSA-N 2 1 395.547 3.216 10 0 GGAEMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(Br)c1OC(F)F ZINC000068353118 1409376864 /nfs/dbraw/zinc/37/68/64/1409376864.db2.gz AUVDYKRSJROQIJ-JTQLQIEISA-N 2 1 381.261 3.489 10 0 GGAEMP COc1ccccc1C[N@H+](CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091790521 1410080832 /nfs/dbraw/zinc/08/08/32/1410080832.db2.gz FXSALAYNUYBFLH-UHFFFAOYSA-N 2 1 397.563 3.220 10 0 GGAEMP COc1ccccc1C[N@@H+](CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000091790521 1410080839 /nfs/dbraw/zinc/08/08/39/1410080839.db2.gz FXSALAYNUYBFLH-UHFFFAOYSA-N 2 1 397.563 3.220 10 0 GGAEMP COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000116396439 1412854553 /nfs/dbraw/zinc/85/45/53/1412854553.db2.gz CCFVNXAUKOPHQS-CRAIPNDOSA-N 2 1 377.529 3.065 10 0 GGAEMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)OCCO4)cc2)C[C@H](C)O1 ZINC000119682811 1413530388 /nfs/dbraw/zinc/53/03/88/1413530388.db2.gz CJPADUVPXZIXRT-HDICACEKSA-N 2 1 382.504 3.357 10 0 GGAEMP COc1ccc(OC)c([C@@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000133525488 1416898283 /nfs/dbraw/zinc/89/82/83/1416898283.db2.gz AXMIBMQGYLSUHX-QFIPXVFZSA-N 2 1 384.520 3.034 10 0 GGAEMP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1F ZINC000133897208 1416990411 /nfs/dbraw/zinc/99/04/11/1416990411.db2.gz DGZBGMUOAMPYIG-UHFFFAOYSA-N 2 1 383.511 3.161 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(c4cccs4)CCCCC3)cn2)CC1 ZINC000134350498 1417058761 /nfs/dbraw/zinc/05/87/61/1417058761.db2.gz FPQWNNAVJNAGDF-UHFFFAOYSA-N 2 1 385.581 3.282 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@@H](c3ccccc3F)C3CCCC3)cn2)CC1 ZINC000134405176 1417065391 /nfs/dbraw/zinc/06/53/91/1417065391.db2.gz CCNNMYXGLFWUMK-OAQYLSRUSA-N 2 1 383.515 3.389 10 0 GGAEMP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)C2Cc3ccccc3C2)CC1 ZINC000141320325 1417532979 /nfs/dbraw/zinc/53/29/79/1417532979.db2.gz GYWZZEBKNZWCBU-UHFFFAOYSA-N 2 1 391.559 3.175 10 0 GGAEMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C[C@@H]1C ZINC000162255534 1424831675 /nfs/dbraw/zinc/83/16/75/1424831675.db2.gz BMFGULABZWNYCV-GUGJDKNPSA-N 2 1 388.552 3.101 10 0 GGAEMP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(OC(F)F)c(F)c3)cc2)CC1 ZINC000168094306 1425235014 /nfs/dbraw/zinc/23/50/14/1425235014.db2.gz GNRZOUHMRUUUQR-UHFFFAOYSA-N 2 1 393.453 3.464 10 0 GGAEMP CNC(=O)N1CCC([C@@H]2CC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000169789096 1425257456 /nfs/dbraw/zinc/25/74/56/1425257456.db2.gz PYFOHSCHSPKJAA-JOCHJYFZSA-N 2 1 398.595 3.067 10 0 GGAEMP CNC(=O)N1CCC([C@@H]2CC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000169789096 1425257466 /nfs/dbraw/zinc/25/74/66/1425257466.db2.gz PYFOHSCHSPKJAA-JOCHJYFZSA-N 2 1 398.595 3.067 10 0 GGAEMP CC(C)n1cc(C[NH+]2CCC3(C[N@@H+](Cc4ccccc4)C[C@H]3CO)CC2)cn1 ZINC000169789933 1425258712 /nfs/dbraw/zinc/25/87/12/1425258712.db2.gz WSZHMHWZTSMGRR-QFIPXVFZSA-N 2 1 382.552 3.171 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714451 1431213844 /nfs/dbraw/zinc/21/38/44/1431213844.db2.gz DWTCZDPNYZSBKD-RYRKJORJSA-N 2 1 386.540 3.215 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185714451 1431213849 /nfs/dbraw/zinc/21/38/49/1431213849.db2.gz DWTCZDPNYZSBKD-RYRKJORJSA-N 2 1 386.540 3.215 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714416 1431214185 /nfs/dbraw/zinc/21/41/85/1431214185.db2.gz DWTCZDPNYZSBKD-SOLBZPMBSA-N 2 1 386.540 3.215 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185714416 1431214187 /nfs/dbraw/zinc/21/41/87/1431214187.db2.gz DWTCZDPNYZSBKD-SOLBZPMBSA-N 2 1 386.540 3.215 10 0 GGAEMP Cn1cc([C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc2)cn1 ZINC000225668013 1433367459 /nfs/dbraw/zinc/36/74/59/1433367459.db2.gz ZKANHDGYWRIXAR-XMMPIXPASA-N 2 1 390.531 3.256 10 0 GGAEMP C[C@@H]1CCN(CC(=O)NCc2ccc(F)cc2C(F)(F)F)C[C@H]1n1ccnc1 ZINC000245558274 1433484985 /nfs/dbraw/zinc/48/49/85/1433484985.db2.gz BDOHURDCXPATKE-CXAGYDPISA-N 2 1 398.404 3.240 10 0 GGAEMP CCNC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23 ZINC000257193644 1433894672 /nfs/dbraw/zinc/89/46/72/1433894672.db2.gz RVKJXYGLJMAVHL-GNXKAVGDSA-N 2 1 384.568 3.063 10 0 GGAEMP CCNC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1cccnc1)[C@@H]23 ZINC000257193644 1433894674 /nfs/dbraw/zinc/89/46/74/1433894674.db2.gz RVKJXYGLJMAVHL-GNXKAVGDSA-N 2 1 384.568 3.063 10 0 GGAEMP CCNC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1Cc1cccnc1)[C@@H]23 ZINC000257193644 1433894675 /nfs/dbraw/zinc/89/46/75/1433894675.db2.gz RVKJXYGLJMAVHL-GNXKAVGDSA-N 2 1 384.568 3.063 10 0 GGAEMP CC(=O)Nc1cccc(OCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000271411577 1434822853 /nfs/dbraw/zinc/82/28/53/1434822853.db2.gz AGBOHUQMLNCBEQ-UHFFFAOYSA-N 2 1 381.520 3.321 10 0 GGAEMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000275440621 1435139557 /nfs/dbraw/zinc/13/95/57/1435139557.db2.gz FUYNPFVZAWIDRW-KZNAEPCWSA-N 2 1 392.503 3.033 10 0 GGAEMP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000275440632 1435139576 /nfs/dbraw/zinc/13/95/76/1435139576.db2.gz FUYNPFVZAWIDRW-OKZBNKHCSA-N 2 1 392.503 3.033 10 0 GGAEMP C[C@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460873659 1126193495 /nfs/dbraw/zinc/19/34/95/1126193495.db2.gz YLOBQGGXUBLXMI-JOCHJYFZSA-N 2 1 388.939 3.256 10 0 GGAEMP C[C@@](CO)(Cc1ccc(Cl)cc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC001460873663 1126193553 /nfs/dbraw/zinc/19/35/53/1126193553.db2.gz YLOBQGGXUBLXMI-QFIPXVFZSA-N 2 1 388.939 3.256 10 0 GGAEMP COCC[NH+]1CCC(C[N@H+](Cc2cccc(C(C)=O)c2)C[C@H]2CCCO2)CC1 ZINC000011874756 221135184 /nfs/dbraw/zinc/13/51/84/221135184.db2.gz QVOYSPXYZAWJMQ-HSZRJFAPSA-N 2 1 388.552 3.229 10 0 GGAEMP C[N@H+]1CCCN(C(=O)[C@@H]2CC23CC[NH+](CC2=CC[C@H]4C[C@@H]2C4(C)C)CC3)CC1 ZINC000012154916 221160772 /nfs/dbraw/zinc/16/07/72/221160772.db2.gz YLQFJIKUFTUGAG-ACRUOGEOSA-N 2 1 385.596 3.245 10 0 GGAEMP Cc1cnc(C[NH2+]Cc2ccccc2OC[C@H](O)C[N@@H+](C)C2CCCCC2)cn1 ZINC000012576986 221208080 /nfs/dbraw/zinc/20/80/80/221208080.db2.gz VYIBCDUHBINQKN-JOCHJYFZSA-N 2 1 398.551 3.079 10 0 GGAEMP Cc1cnc(C[NH2+]Cc2ccccc2OC[C@H](O)C[N@H+](C)C2CCCCC2)cn1 ZINC000012576986 221208082 /nfs/dbraw/zinc/20/80/82/221208082.db2.gz VYIBCDUHBINQKN-JOCHJYFZSA-N 2 1 398.551 3.079 10 0 GGAEMP CCOc1cccc(C[NH2+]CCC[NH2+]CCO)c1OCc1ccc(Cl)cc1 ZINC000013733345 221286166 /nfs/dbraw/zinc/28/61/66/221286166.db2.gz ATUZNDGVLOTSHE-UHFFFAOYSA-N 2 1 392.927 3.379 10 0 GGAEMP CCOc1cc(C[NH2+]CCC[NH+](CC)CC)ccc1OCC(=O)NC(C)(C)C ZINC000013734337 221286170 /nfs/dbraw/zinc/28/61/70/221286170.db2.gz OQUZXZFCWQHGRK-UHFFFAOYSA-N 2 1 393.572 3.200 10 0 GGAEMP [NH3+]CC1(c2cccc(C(F)(F)F)c2)CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000089223284 136175520 /nfs/dbraw/zinc/17/55/20/136175520.db2.gz DKFLCJKFGQQNBM-UHFFFAOYSA-N 2 1 375.398 3.474 10 0 GGAEMP COc1ccc(C[NH+]2CCC3(C[C@H]([N@@H+](C)Cc4ccccn4)CO3)CC2)cc1 ZINC000096048057 222374945 /nfs/dbraw/zinc/37/49/45/222374945.db2.gz RISHNLUTQZWKJN-NRFANRHFSA-N 2 1 381.520 3.346 10 0 GGAEMP C[N@@H+](Cc1ccoc1)Cc1ccc(-c2nc(C3CC[NH2+]CC3)cc(=O)[nH]2)cc1 ZINC000023153476 523476515 /nfs/dbraw/zinc/47/65/15/523476515.db2.gz OBQIAMJAHRUHKA-UHFFFAOYSA-N 2 1 378.476 3.129 10 0 GGAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@@H+]1C ZINC000123855277 564463357 /nfs/dbraw/zinc/46/33/57/564463357.db2.gz FHYIVOMQUNBRJC-TZMCWYRMSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[N@H+]1C ZINC000123855277 564463359 /nfs/dbraw/zinc/46/33/59/564463359.db2.gz FHYIVOMQUNBRJC-TZMCWYRMSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855277 564463360 /nfs/dbraw/zinc/46/33/60/564463360.db2.gz FHYIVOMQUNBRJC-TZMCWYRMSA-N 2 1 386.309 3.331 10 0 GGAEMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(Br)cc2F)CC[NH+]1C ZINC000123855277 564463361 /nfs/dbraw/zinc/46/33/61/564463361.db2.gz FHYIVOMQUNBRJC-TZMCWYRMSA-N 2 1 386.309 3.331 10 0 GGAEMP COCCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(Br)cc1 ZINC000151281779 564913168 /nfs/dbraw/zinc/91/31/68/564913168.db2.gz ATBZOWFJOGVAEZ-MOPGFXCFSA-N 2 1 399.373 3.353 10 0 GGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCOc2cc(Cl)ccc2Cl)CC1 ZINC000106125966 564979345 /nfs/dbraw/zinc/97/93/45/564979345.db2.gz LPRPUXBSVFBBBU-AWEZNQCLSA-N 2 1 375.340 3.397 10 0 GGAEMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000187115321 565311208 /nfs/dbraw/zinc/31/12/08/565311208.db2.gz CNJNTRCMHOHESM-JTQLQIEISA-N 2 1 391.151 3.225 10 0 GGAEMP Brc1ccccc1CN1CCC([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000377780194 565497899 /nfs/dbraw/zinc/49/78/99/565497899.db2.gz LVJSYQOSTLNONS-INIZCTEOSA-N 2 1 389.341 3.284 10 0 GGAEMP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715804 565507105 /nfs/dbraw/zinc/50/71/05/565507105.db2.gz JVIGMJYGRJWGDQ-HOTGVXAUSA-N 2 1 390.325 3.423 10 0 GGAEMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000301715804 565507108 /nfs/dbraw/zinc/50/71/08/565507108.db2.gz JVIGMJYGRJWGDQ-HOTGVXAUSA-N 2 1 390.325 3.423 10 0 GGAEMP Clc1ccc(I)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000405345965 565586903 /nfs/dbraw/zinc/58/69/03/565586903.db2.gz QBNZPYCVOGGLEJ-TXEJJXNPSA-N 2 1 390.696 3.376 10 0 GGAEMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000414074315 565892308 /nfs/dbraw/zinc/89/23/08/565892308.db2.gz OALXWNVEKOFHJO-HOTGVXAUSA-N 2 1 384.362 3.244 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000178291828 565910647 /nfs/dbraw/zinc/91/06/47/565910647.db2.gz UCAOUEDSAZHYBF-QGZVFWFLSA-N 2 1 391.313 3.447 10 0 GGAEMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(Br)cc1 ZINC000178291828 565910652 /nfs/dbraw/zinc/91/06/52/565910652.db2.gz UCAOUEDSAZHYBF-QGZVFWFLSA-N 2 1 391.313 3.447 10 0 GGAEMP OC1(C[NH2+]Cc2ncc(Br)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000414528053 565945125 /nfs/dbraw/zinc/94/51/25/565945125.db2.gz SJBKTBFEDJDXAU-UHFFFAOYSA-N 2 1 396.354 3.022 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414936228 565965389 /nfs/dbraw/zinc/96/53/89/565965389.db2.gz GRDZRUPWUYKCSX-SGTLLEGYSA-N 2 1 377.330 3.339 10 0 GGAEMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058532 565972126 /nfs/dbraw/zinc/97/21/26/565972126.db2.gz TYOVQPCTLBPRDJ-NNGSBXSVSA-N 2 1 398.364 3.325 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415107782 565972706 /nfs/dbraw/zinc/97/27/06/565972706.db2.gz LQEWGPJQGIPKMO-AEFFLSMTSA-N 2 1 383.330 3.176 10 0 GGAEMP COc1cc(Br)ccc1C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000415122642 565974289 /nfs/dbraw/zinc/97/42/89/565974289.db2.gz KCDXRRBVFRYJGV-AEFFLSMTSA-N 2 1 383.330 3.176 10 0 GGAEMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000179518234 565986424 /nfs/dbraw/zinc/98/64/24/565986424.db2.gz OTCDSFMLXMNBKX-ZDUSSCGKSA-N 2 1 376.875 3.466 10 0 GGAEMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000179518241 565986783 /nfs/dbraw/zinc/98/67/83/565986783.db2.gz OTCDSFMLXMNBKX-CYBMUJFWSA-N 2 1 376.875 3.466 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245581056 565997760 /nfs/dbraw/zinc/99/77/60/565997760.db2.gz JAAIGMXCYLNFGF-HKUYNNGSSA-N 2 1 383.989 3.276 10 0 GGAEMP CC[NH+](CC)CCSCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245581056 565997763 /nfs/dbraw/zinc/99/77/63/565997763.db2.gz JAAIGMXCYLNFGF-HKUYNNGSSA-N 2 1 383.989 3.276 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000245953207 566012394 /nfs/dbraw/zinc/01/23/94/566012394.db2.gz PTTFGFTXXSWINK-DYVFJYSZSA-N 2 1 391.313 3.446 10 0 GGAEMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccc(Br)cc1 ZINC000245953207 566012400 /nfs/dbraw/zinc/01/24/00/566012400.db2.gz PTTFGFTXXSWINK-DYVFJYSZSA-N 2 1 391.313 3.446 10 0 GGAEMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)Cc2ccccc2Br)[C@@H](C)C1 ZINC000247334023 566058839 /nfs/dbraw/zinc/05/88/39/566058839.db2.gz YXNXEDHLVNIHBJ-YJBOKZPZSA-N 2 1 396.373 3.070 10 0 GGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1c1ccccc1 ZINC000261631556 566126069 /nfs/dbraw/zinc/12/60/69/566126069.db2.gz DWSOTHARDWIACH-CVEARBPZSA-N 2 1 389.293 3.352 10 0 GGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(cc2Br)OCO3)C[C@H]1c1ccccc1 ZINC000261631556 566126074 /nfs/dbraw/zinc/12/60/74/566126074.db2.gz DWSOTHARDWIACH-CVEARBPZSA-N 2 1 389.293 3.352 10 0 GGAEMP [NH3+]C[C@@H]1C[N@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1c1ccccc1 ZINC000261723190 566130315 /nfs/dbraw/zinc/13/03/15/566130315.db2.gz LIHRGLQXNWWLBE-CVEARBPZSA-N 2 1 389.293 3.352 10 0 GGAEMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C[C@H]1c1ccccc1 ZINC000261723190 566130322 /nfs/dbraw/zinc/13/03/22/566130322.db2.gz LIHRGLQXNWWLBE-CVEARBPZSA-N 2 1 389.293 3.352 10 0 GGAEMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(Br)cc1 ZINC000261878822 566139300 /nfs/dbraw/zinc/13/93/00/566139300.db2.gz FCLYGFVJDKWTKV-KSZLIROESA-N 2 1 381.358 3.473 10 0 GGAEMP Cc1nc(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)s2)cs1 ZINC000261907986 566140004 /nfs/dbraw/zinc/14/00/04/566140004.db2.gz IORWCQDGHPQSBE-ZACQAIPSSA-N 2 1 377.579 3.469 10 0 GGAEMP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000261948874 566141391 /nfs/dbraw/zinc/14/13/91/566141391.db2.gz NXFWKSOYMVWTOE-KURKYZTESA-N 2 1 379.342 3.227 10 0 GGAEMP Brc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000261948880 566142182 /nfs/dbraw/zinc/14/21/82/566142182.db2.gz NXFWKSOYMVWTOE-RCCFBDPRSA-N 2 1 379.342 3.227 10 0 GGAEMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc2cc(Br)ccc2o1 ZINC000181686756 566157943 /nfs/dbraw/zinc/15/79/43/566157943.db2.gz VJYGFZOTLUSFPM-CYBMUJFWSA-N 2 1 394.313 3.010 10 0 GGAEMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCc3ccccc3Br)C2)CC1 ZINC000182211056 566189711 /nfs/dbraw/zinc/18/97/11/566189711.db2.gz XMTHAOQUFIGCMD-IBGZPJMESA-N 2 1 394.401 3.484 10 0 GGAEMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCc3ccccc3Br)C2)CC1 ZINC000182211056 566189717 /nfs/dbraw/zinc/18/97/17/566189717.db2.gz XMTHAOQUFIGCMD-IBGZPJMESA-N 2 1 394.401 3.484 10 0 GGAEMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCCOCC(F)(F)F)CC2 ZINC000367251764 566193397 /nfs/dbraw/zinc/19/33/97/566193397.db2.gz ICGJTBBAWBWKRB-AWEZNQCLSA-N 2 1 377.476 3.398 10 0 GGAEMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCCOCC(F)(F)F)CC2 ZINC000367251764 566193401 /nfs/dbraw/zinc/19/34/01/566193401.db2.gz ICGJTBBAWBWKRB-AWEZNQCLSA-N 2 1 377.476 3.398 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+][C@H]3CCCc4sc(Cl)cc43)cn2)CC1 ZINC000291779511 566234458 /nfs/dbraw/zinc/23/44/58/566234458.db2.gz UQZWNXSIIBMNSJ-HNNXBMFYSA-N 2 1 377.945 3.111 10 0 GGAEMP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404382 566275431 /nfs/dbraw/zinc/27/54/31/566275431.db2.gz RZPHICRVTOVTQV-RDJZCZTQSA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404382 566275437 /nfs/dbraw/zinc/27/54/37/566275437.db2.gz RZPHICRVTOVTQV-RDJZCZTQSA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404381 566275630 /nfs/dbraw/zinc/27/56/30/566275630.db2.gz RZPHICRVTOVTQV-NVXWUHKLSA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCc1cccc(Cl)c1Cl ZINC000420404381 566275637 /nfs/dbraw/zinc/27/56/37/566275637.db2.gz RZPHICRVTOVTQV-NVXWUHKLSA-N 2 1 384.351 3.116 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383549 566275772 /nfs/dbraw/zinc/27/57/72/566275772.db2.gz DJVRCQFSRGPOPF-RHSMWYFYSA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1Br ZINC000420383551 566276345 /nfs/dbraw/zinc/27/63/45/566276345.db2.gz DJVRCQFSRGPOPF-WMLDXEAASA-N 2 1 380.330 3.242 10 0 GGAEMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(Br)c1 ZINC000420397669 566277064 /nfs/dbraw/zinc/27/70/64/566277064.db2.gz MTZHEUDJBWUPTD-RHSMWYFYSA-N 2 1 380.330 3.242 10 0 GGAEMP C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)S(C)(=O)=O ZINC000575848800 566291869 /nfs/dbraw/zinc/29/18/69/566291869.db2.gz RXKGAIFFHYLOAK-GYISXVGNSA-N 2 1 384.973 3.277 10 0 GGAEMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCCc2c(Cl)cccc2Cl)CC1 ZINC000482236722 566296450 /nfs/dbraw/zinc/29/64/50/566296450.db2.gz CLYDJXGUANFTEU-UHFFFAOYSA-N 2 1 386.367 3.458 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576346742 566338878 /nfs/dbraw/zinc/33/88/78/566338878.db2.gz OEQXCGVQDWPJJI-IYBDPMFKSA-N 2 1 389.341 3.375 10 0 GGAEMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(Br)cc1 ZINC000482884524 566340541 /nfs/dbraw/zinc/34/05/41/566340541.db2.gz FIHVPJRUCOSRJG-SFHVURJKSA-N 2 1 396.373 3.433 10 0 GGAEMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796164 566360662 /nfs/dbraw/zinc/36/06/62/566360662.db2.gz HGQPJKPEBLBNMD-LJQANCHMSA-N 2 1 392.341 3.244 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000577638100 566451372 /nfs/dbraw/zinc/45/13/72/566451372.db2.gz IGUICWIYFPZAEX-XIVBQZFQSA-N 2 1 381.358 3.063 10 0 GGAEMP COc1cc(Br)c(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650723002 566473206 /nfs/dbraw/zinc/47/32/06/566473206.db2.gz FYXRORJIETVBEU-YSVLISHTSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1cc(Br)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1O ZINC000650723002 566473214 /nfs/dbraw/zinc/47/32/14/566473214.db2.gz FYXRORJIETVBEU-YSVLISHTSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(Br)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723690 566473553 /nfs/dbraw/zinc/47/35/53/566473553.db2.gz RZQCJVNRDADUCA-QGTPRVQTSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)c1O ZINC000650723293 566473581 /nfs/dbraw/zinc/47/35/81/566473581.db2.gz KUZOUIGNHDOARZ-SQWLQELKSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(Br)c1O ZINC000650723293 566473594 /nfs/dbraw/zinc/47/35/94/566473594.db2.gz KUZOUIGNHDOARZ-SQWLQELKSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1cc(Br)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723208 566473985 /nfs/dbraw/zinc/47/39/85/566473985.db2.gz JGULZTWMDUNULH-JFIYKMOQSA-N 2 1 383.330 3.319 10 0 GGAEMP COc1cc(Br)ccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723208 566473991 /nfs/dbraw/zinc/47/39/91/566473991.db2.gz JGULZTWMDUNULH-JFIYKMOQSA-N 2 1 383.330 3.319 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(Br)cc3c2OCC3)C1 ZINC000650723015 566474024 /nfs/dbraw/zinc/47/40/24/566474024.db2.gz GHPRSYSNNNDSDP-FGTMMUONSA-N 2 1 395.341 3.245 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722325 566474098 /nfs/dbraw/zinc/47/40/98/566474098.db2.gz POBNFIPLKBGABF-KBMXLJTQSA-N 2 1 397.313 3.039 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000650722325 566474101 /nfs/dbraw/zinc/47/41/01/566474101.db2.gz POBNFIPLKBGABF-KBMXLJTQSA-N 2 1 397.313 3.039 10 0 GGAEMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Br)c1O ZINC000650723290 566474157 /nfs/dbraw/zinc/47/41/57/566474157.db2.gz KUZOUIGNHDOARZ-FMKPAKJESA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(Br)c1O ZINC000650723290 566474160 /nfs/dbraw/zinc/47/41/60/566474160.db2.gz KUZOUIGNHDOARZ-FMKPAKJESA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Br)c1O ZINC000650723292 566474188 /nfs/dbraw/zinc/47/41/88/566474188.db2.gz KUZOUIGNHDOARZ-LZWOXQAQSA-N 2 1 399.329 3.024 10 0 GGAEMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(Br)c1O ZINC000650723292 566474192 /nfs/dbraw/zinc/47/41/92/566474192.db2.gz KUZOUIGNHDOARZ-LZWOXQAQSA-N 2 1 399.329 3.024 10 0 GGAEMP Cc1c(Br)cccc1C[C@@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423149044 566479273 /nfs/dbraw/zinc/47/92/73/566479273.db2.gz AESRZJSPQTZSNG-ZIAGYGMSSA-N 2 1 378.314 3.067 10 0 GGAEMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000423398359 566487831 /nfs/dbraw/zinc/48/78/31/566487831.db2.gz OTIBYKMXAZONER-KCPJHIHWSA-N 2 1 386.277 3.093 10 0 GGAEMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCOc2ccc(I)cc21 ZINC000423398355 566487885 /nfs/dbraw/zinc/48/78/85/566487885.db2.gz OTIBYKMXAZONER-BYCMXARLSA-N 2 1 386.277 3.093 10 0 GGAEMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCOc2ccc(I)cc21 ZINC000423398357 566488081 /nfs/dbraw/zinc/48/80/81/566488081.db2.gz OTIBYKMXAZONER-DFBGVHRSSA-N 2 1 386.277 3.093 10 0 GGAEMP COc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000423500480 566489761 /nfs/dbraw/zinc/48/97/61/566489761.db2.gz CBRBHZUOBHRVAH-ODIFPOPNSA-N 2 1 396.373 3.325 10 0 GGAEMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423502444 566490593 /nfs/dbraw/zinc/49/05/93/566490593.db2.gz CPJNWCFTSCNAJU-JRSKDTKFSA-N 2 1 396.348 3.382 10 0 GGAEMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1F ZINC000423509785 566491287 /nfs/dbraw/zinc/49/12/87/566491287.db2.gz MRWMNSYCUBQHGC-IUDNXUCKSA-N 2 1 384.337 3.455 10 0 GGAEMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423525077 566492263 /nfs/dbraw/zinc/49/22/63/566492263.db2.gz XUQDAAMRJRHNHF-JFIBYHEFSA-N 2 1 396.348 3.382 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccc(Br)cc1 ZINC000513149462 566583504 /nfs/dbraw/zinc/58/35/04/566583504.db2.gz LAXWBGNTKLBISH-FUHWJXTLSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@@](C)([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(Br)cc1 ZINC000513149462 566583506 /nfs/dbraw/zinc/58/35/06/566583506.db2.gz LAXWBGNTKLBISH-FUHWJXTLSA-N 2 1 383.330 3.301 10 0 GGAEMP COC(=O)C[C@](C)([NH2+]CCn1cc[nH+]c1C)c1ccc(Br)cc1 ZINC000513158989 566585684 /nfs/dbraw/zinc/58/56/84/566585684.db2.gz JLSUZNVFAUDIMK-KRWDZBQOSA-N 2 1 380.286 3.022 10 0 GGAEMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(Cl)c(Cl)cn1 ZINC000466671256 566590824 /nfs/dbraw/zinc/59/08/24/566590824.db2.gz URECXGPXJLJDEQ-CYBMUJFWSA-N 2 1 388.343 3.268 10 0 GGAEMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000579344174 566600894 /nfs/dbraw/zinc/60/08/94/566600894.db2.gz VEOGPUQFUDINDK-LSDHHAIUSA-N 2 1 375.340 3.301 10 0 GGAEMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)[C@H]1CCSC1)c1ccc(Cl)c(Cl)c1 ZINC000628969841 566601942 /nfs/dbraw/zinc/60/19/42/566601942.db2.gz ZNEPRKYFVZPFQN-BBRMVZONSA-N 2 1 390.380 3.150 10 0 GGAEMP CCOCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579354350 566602615 /nfs/dbraw/zinc/60/26/15/566602615.db2.gz VLQCCVNVGHHPIK-IYBDPMFKSA-N 2 1 397.357 3.296 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364143 566605420 /nfs/dbraw/zinc/60/54/20/566605420.db2.gz ZLIWHSJKHZQOTR-NXHRZFHOSA-N 2 1 383.330 3.189 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2cccc(Br)c2)C1 ZINC000652364141 566605779 /nfs/dbraw/zinc/60/57/79/566605779.db2.gz ZLIWHSJKHZQOTR-KBAYOESNSA-N 2 1 383.330 3.189 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000513661370 566616195 /nfs/dbraw/zinc/61/61/95/566616195.db2.gz OMBJYUJNAQYMTG-BMFZPTHFSA-N 2 1 383.330 3.429 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000513661370 566616199 /nfs/dbraw/zinc/61/61/99/566616199.db2.gz OMBJYUJNAQYMTG-BMFZPTHFSA-N 2 1 383.330 3.429 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000513661374 566616378 /nfs/dbraw/zinc/61/63/78/566616378.db2.gz OMBJYUJNAQYMTG-NUEKZKHPSA-N 2 1 383.330 3.429 10 0 GGAEMP COc1cc(Br)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000513661374 566616383 /nfs/dbraw/zinc/61/63/83/566616383.db2.gz OMBJYUJNAQYMTG-NUEKZKHPSA-N 2 1 383.330 3.429 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]Cc2cc(Br)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000513713694 566619427 /nfs/dbraw/zinc/61/94/27/566619427.db2.gz RWONHAOKMPEPNJ-BPUTZDHNSA-N 2 1 381.314 3.183 10 0 GGAEMP Brc1ccc(S[C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000629547209 566663477 /nfs/dbraw/zinc/66/34/77/566663477.db2.gz FIZXSXSBCFUQOB-HOCLYGCPSA-N 2 1 383.355 3.137 10 0 GGAEMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000629527069 566663953 /nfs/dbraw/zinc/66/39/53/566663953.db2.gz JIHXAGSWWBJVBO-ZWKOTPCHSA-N 2 1 394.357 3.092 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535842 566664689 /nfs/dbraw/zinc/66/46/89/566664689.db2.gz FYQWZGBMHXYFOM-KYOSRNDESA-N 2 1 389.284 3.446 10 0 GGAEMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535842 566664693 /nfs/dbraw/zinc/66/46/93/566664693.db2.gz FYQWZGBMHXYFOM-KYOSRNDESA-N 2 1 389.284 3.446 10 0 GGAEMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000629542778 566664723 /nfs/dbraw/zinc/66/47/23/566664723.db2.gz LNDAMKYMDMDWCW-YOEHRIQHSA-N 2 1 394.357 3.092 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535869 566664886 /nfs/dbraw/zinc/66/48/86/566664886.db2.gz FYQWZGBMHXYFOM-UXIGCNINSA-N 2 1 389.284 3.446 10 0 GGAEMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(Br)c(F)c3F)C2)C1 ZINC000629535869 566664888 /nfs/dbraw/zinc/66/48/88/566664888.db2.gz FYQWZGBMHXYFOM-UXIGCNINSA-N 2 1 389.284 3.446 10 0 GGAEMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000629581684 566667157 /nfs/dbraw/zinc/66/71/57/566667157.db2.gz FVHQVFWJBQBYPM-YPMHNXCESA-N 2 1 379.302 3.404 10 0 GGAEMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000629655570 566677029 /nfs/dbraw/zinc/67/70/29/566677029.db2.gz ZXKCIXMZRZSHLF-UHFFFAOYSA-N 2 1 384.343 3.240 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703705 566704759 /nfs/dbraw/zinc/70/47/59/566704759.db2.gz TYVBBHIGBDQXJD-DEYYWGMASA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703705 566704766 /nfs/dbraw/zinc/70/47/66/566704766.db2.gz TYVBBHIGBDQXJD-DEYYWGMASA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703705 566704772 /nfs/dbraw/zinc/70/47/72/566704772.db2.gz TYVBBHIGBDQXJD-DEYYWGMASA-N 2 1 375.340 3.395 10 0 GGAEMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703707 566705045 /nfs/dbraw/zinc/70/50/45/566705045.db2.gz TYVBBHIGBDQXJD-IYOUNJFTSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703707 566705051 /nfs/dbraw/zinc/70/50/51/566705051.db2.gz TYVBBHIGBDQXJD-IYOUNJFTSA-N 2 1 375.340 3.395 10 0 GGAEMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Cl)c(Cl)c2)[C@@H](C)C1 ZINC000676703707 566705056 /nfs/dbraw/zinc/70/50/56/566705056.db2.gz TYVBBHIGBDQXJD-IYOUNJFTSA-N 2 1 375.340 3.395 10 0 GGAEMP Clc1ccc(-n2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nn2)c(Cl)c1 ZINC000516649893 566775779 /nfs/dbraw/zinc/77/57/79/566775779.db2.gz BCXNWZJTRBCCBK-KGLIPLIRSA-N 2 1 380.323 3.396 10 0 GGAEMP Brc1ccc(-c2nccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000517030053 566800909 /nfs/dbraw/zinc/80/09/09/566800909.db2.gz INMMIEITPISBEG-IYBDPMFKSA-N 2 1 387.325 3.338 10 0 GGAEMP C[NH+](C)Cc1ccc(NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1Br ZINC000655758271 566845214 /nfs/dbraw/zinc/84/52/14/566845214.db2.gz VBDYHERQWZXIFB-QGZVFWFLSA-N 2 1 382.346 3.176 10 0 GGAEMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000563624547 566901740 /nfs/dbraw/zinc/90/17/40/566901740.db2.gz MQODRWAYBSZJAV-BETUJISGSA-N 2 1 375.257 3.482 10 0 GGAEMP Brc1ccc2ncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785192 566950340 /nfs/dbraw/zinc/95/03/40/566950340.db2.gz KJUHQBINMUAETG-OAHLLOKOSA-N 2 1 377.330 3.308 10 0 GGAEMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000453089468 567053074 /nfs/dbraw/zinc/05/30/74/567053074.db2.gz BBPFIPZJLJKTMV-QGZVFWFLSA-N 2 1 384.337 3.193 10 0 GGAEMP Oc1ccc(Br)c(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596435 567074189 /nfs/dbraw/zinc/07/41/89/567074189.db2.gz NFMSHOIAWZKZCL-SFHVURJKSA-N 2 1 391.309 3.011 10 0 GGAEMP Oc1ccc(Br)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596435 567074197 /nfs/dbraw/zinc/07/41/97/567074197.db2.gz NFMSHOIAWZKZCL-SFHVURJKSA-N 2 1 391.309 3.011 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(Br)c3)cc2)C1 ZINC000657593345 567074448 /nfs/dbraw/zinc/07/44/48/567074448.db2.gz GBOOFHLIIQENHL-IBGZPJMESA-N 2 1 375.310 3.306 10 0 GGAEMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C1 ZINC000657596011 567074571 /nfs/dbraw/zinc/07/45/71/567074571.db2.gz KXBBCTSBQUUZEB-INIZCTEOSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3c(F)cccc3Br)cc2)C1 ZINC000657596011 567074578 /nfs/dbraw/zinc/07/45/78/567074578.db2.gz KXBBCTSBQUUZEB-INIZCTEOSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)ccc3Br)cc2)C1 ZINC000657598250 567075073 /nfs/dbraw/zinc/07/50/73/567075073.db2.gz ZMRZGRYSBHILON-GOSISDBHSA-N 2 1 393.300 3.445 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cc(F)ccc3Br)cc2)C1 ZINC000657598250 567075077 /nfs/dbraw/zinc/07/50/77/567075077.db2.gz ZMRZGRYSBHILON-GOSISDBHSA-N 2 1 393.300 3.445 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(F)c(Br)c2)[C@H]2CCC[C@H]21 ZINC000453337213 567076130 /nfs/dbraw/zinc/07/61/30/567076130.db2.gz ASGAZJVNAXVXEL-VVWQDTPRSA-N 2 1 399.348 3.202 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)[C@@H]2CCC[C@@H]21 ZINC000453367417 567080121 /nfs/dbraw/zinc/08/01/21/567080121.db2.gz MMFZCPKHVCFETQ-JXIYXGQPSA-N 2 1 399.348 3.202 10 0 GGAEMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccc(Br)cn1 ZINC000658141085 567123653 /nfs/dbraw/zinc/12/36/53/567123653.db2.gz WEWNCWNWZSWAHK-KBXCAEBGSA-N 2 1 390.325 3.262 10 0 GGAEMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)C1 ZINC000566108915 567125545 /nfs/dbraw/zinc/12/55/45/567125545.db2.gz IWNOBJRQYMXLRZ-GJZGRUSLSA-N 2 1 375.340 3.443 10 0 GGAEMP C[NH+](C)CCN(C(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1 ZINC000659256552 567197027 /nfs/dbraw/zinc/19/70/27/567197027.db2.gz MWLVLDOKPOCHHF-UHFFFAOYSA-N 2 1 394.338 3.322 10 0 GGAEMP [NH3+]C1(CC(=O)NCc2ccc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000637931692 567225758 /nfs/dbraw/zinc/22/57/58/567225758.db2.gz GNUVEPODBSKIDF-UHFFFAOYSA-N 2 1 377.941 3.401 10 0 GGAEMP CN1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C[C@@H]1c1ccc(Br)cc1 ZINC000638838392 567274368 /nfs/dbraw/zinc/27/43/68/567274368.db2.gz HVKLIPRAHZADJM-RTBURBONSA-N 2 1 378.358 3.436 10 0 GGAEMP C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568050977 567300610 /nfs/dbraw/zinc/30/06/10/567300610.db2.gz QFRYYCLKYCSWPO-UHFFFAOYSA-N 2 1 388.309 3.165 10 0 GGAEMP C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568050977 567300616 /nfs/dbraw/zinc/30/06/16/567300616.db2.gz QFRYYCLKYCSWPO-UHFFFAOYSA-N 2 1 388.309 3.165 10 0 GGAEMP CC[C@H]1C[N@@H+](CCCOc2cccc(I)c2)CC[C@@H]1[NH3+] ZINC000592427602 567338000 /nfs/dbraw/zinc/33/80/00/567338000.db2.gz HAJIJCRIPVPUOU-BBRMVZONSA-N 2 1 388.293 3.119 10 0 GGAEMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Br)C1 ZINC000527691172 567363535 /nfs/dbraw/zinc/36/35/35/567363535.db2.gz LMJGMMFCSICWNZ-MRXNPFEDSA-N 2 1 381.339 3.367 10 0 GGAEMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccsc2Br)C1 ZINC000527691172 567363537 /nfs/dbraw/zinc/36/35/37/567363537.db2.gz LMJGMMFCSICWNZ-MRXNPFEDSA-N 2 1 381.339 3.367 10 0 GGAEMP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248978 567421774 /nfs/dbraw/zinc/42/17/74/567421774.db2.gz GFECADKJISSURS-CQSZACIVSA-N 2 1 386.323 3.165 10 0 GGAEMP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248978 567421779 /nfs/dbraw/zinc/42/17/79/567421779.db2.gz GFECADKJISSURS-CQSZACIVSA-N 2 1 386.323 3.165 10 0 GGAEMP COc1ccc(Br)cc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662255199 567422489 /nfs/dbraw/zinc/42/24/89/567422489.db2.gz BCPVBNADHVJMPG-GDBMZVCRSA-N 2 1 381.314 3.116 10 0 GGAEMP CCC[N@@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248974 567422655 /nfs/dbraw/zinc/42/26/55/567422655.db2.gz GFECADKJISSURS-AWEZNQCLSA-N 2 1 386.323 3.165 10 0 GGAEMP CCC[N@H+](CC(=O)Nc1cc(Cl)ccc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248974 567422661 /nfs/dbraw/zinc/42/26/61/567422661.db2.gz GFECADKJISSURS-AWEZNQCLSA-N 2 1 386.323 3.165 10 0 GGAEMP Brc1cccc(C[C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662282068 567424658 /nfs/dbraw/zinc/42/46/58/567424658.db2.gz CQJRHOIGLNQJJG-ROUUACIJSA-N 2 1 379.342 3.367 10 0 GGAEMP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662293669 567425477 /nfs/dbraw/zinc/42/54/77/567425477.db2.gz HWOPHZSUUJAFMW-HNNXBMFYSA-N 2 1 380.330 3.099 10 0 GGAEMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1Br ZINC000662293669 567425484 /nfs/dbraw/zinc/42/54/84/567425484.db2.gz HWOPHZSUUJAFMW-HNNXBMFYSA-N 2 1 380.330 3.099 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296489 567425560 /nfs/dbraw/zinc/42/55/60/567425560.db2.gz LALAPZUPMVPNRR-ZBFHGGJFSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296489 567425570 /nfs/dbraw/zinc/42/55/70/567425570.db2.gz LALAPZUPMVPNRR-ZBFHGGJFSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296484 567425891 /nfs/dbraw/zinc/42/58/91/567425891.db2.gz LALAPZUPMVPNRR-GDBMZVCRSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296484 567425894 /nfs/dbraw/zinc/42/58/94/567425894.db2.gz LALAPZUPMVPNRR-GDBMZVCRSA-N 2 1 394.357 3.488 10 0 GGAEMP Cc1cc(Br)ccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297565 567426045 /nfs/dbraw/zinc/42/60/45/567426045.db2.gz RHFPBSZPEYDBJX-MRXNPFEDSA-N 2 1 394.357 3.408 10 0 GGAEMP COc1cc(Br)ccc1CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323563 567427690 /nfs/dbraw/zinc/42/76/90/567427690.db2.gz NMJODCMXVMAKTL-SFHVURJKSA-N 2 1 399.373 3.433 10 0 GGAEMP CCCC[NH+]1CCC(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662419316 567434637 /nfs/dbraw/zinc/43/46/37/567434637.db2.gz ZBWAMEFVFTVWSC-UHFFFAOYSA-N 2 1 386.359 3.108 10 0 GGAEMP CCC[NH+](CCC)CCCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662442328 567436691 /nfs/dbraw/zinc/43/66/91/567436691.db2.gz KWCSWKBYCFLABD-UHFFFAOYSA-N 2 1 388.375 3.356 10 0 GGAEMP C[NH+](C)[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)c1ccccc1 ZINC000662524539 567444991 /nfs/dbraw/zinc/44/49/91/567444991.db2.gz YCXUWQKTJCUGSG-ZDUSSCGKSA-N 2 1 394.338 3.147 10 0 GGAEMP O=C(NCCC[NH+]1CCCCCC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662664746 567455308 /nfs/dbraw/zinc/45/53/08/567455308.db2.gz GKOVWPDEAAVUBX-UHFFFAOYSA-N 2 1 386.359 3.110 10 0 GGAEMP CCC[NH+]1CCC(N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662689030 567456435 /nfs/dbraw/zinc/45/64/35/567456435.db2.gz CYVGHUXMMKOHIA-UHFFFAOYSA-N 2 1 386.359 3.060 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000550887800 567467828 /nfs/dbraw/zinc/46/78/28/567467828.db2.gz UCJNCECZECATLO-IXDOHACOSA-N 2 1 398.389 3.347 10 0 GGAEMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000550890858 567468425 /nfs/dbraw/zinc/46/84/25/567468425.db2.gz IUIBUHSGYXENFS-JKSUJKDBSA-N 2 1 384.362 3.101 10 0 GGAEMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc(Br)c1O ZINC000663346825 567499132 /nfs/dbraw/zinc/49/91/32/567499132.db2.gz OWHZLRXGFXMJPE-CQSZACIVSA-N 2 1 383.330 3.375 10 0 GGAEMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(Br)c1O ZINC000663346825 567499140 /nfs/dbraw/zinc/49/91/40/567499140.db2.gz OWHZLRXGFXMJPE-CQSZACIVSA-N 2 1 383.330 3.375 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552049116 567553627 /nfs/dbraw/zinc/55/36/27/567553627.db2.gz LTQSQZPIEKZSAM-OKZBNKHCSA-N 2 1 394.357 3.031 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000552248897 567570724 /nfs/dbraw/zinc/57/07/24/567570724.db2.gz WMUJALDOXQLXRG-YSHGAJCASA-N 2 1 378.358 3.490 10 0 GGAEMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)nc12 ZINC000552283461 567573275 /nfs/dbraw/zinc/57/32/75/567573275.db2.gz DPSFTJIXWQPNTL-KZNAEPCWSA-N 2 1 391.357 3.410 10 0 GGAEMP O[C@@H]1CC[N@H+](C2CCN(c3ccnc4cc(F)c(Br)cc43)CC2)C1 ZINC000664597944 567577415 /nfs/dbraw/zinc/57/74/15/567577415.db2.gz RFCNOJYWUPYUKN-CYBMUJFWSA-N 2 1 394.288 3.172 10 0 GGAEMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cc(Br)cn1 ZINC000552340005 567579366 /nfs/dbraw/zinc/57/93/66/567579366.db2.gz ITCMHOSIQCEJMP-QAPCUYQASA-N 2 1 377.330 3.146 10 0 GGAEMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665280025 567615771 /nfs/dbraw/zinc/61/57/71/567615771.db2.gz RHUDFLVXFFVFMV-SGWRBKMISA-N 2 1 375.822 3.418 10 0 GGAEMP CC1(C)CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292574 567617074 /nfs/dbraw/zinc/61/70/74/567617074.db2.gz DCHSESIOOXZJAQ-HNNXBMFYSA-N 2 1 391.313 3.306 10 0 GGAEMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1Br ZINC000572365205 567633724 /nfs/dbraw/zinc/63/37/24/567633724.db2.gz GPDNKUSMTHNMQJ-ZLIFDBKOSA-N 2 1 380.330 3.370 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)CC1(C)C ZINC000623392528 567706389 /nfs/dbraw/zinc/70/63/89/567706389.db2.gz GVUXMOQBUUVEQU-INIZCTEOSA-N 2 1 382.346 3.031 10 0 GGAEMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2F)CC1(C)C ZINC000623541802 567720430 /nfs/dbraw/zinc/72/04/30/567720430.db2.gz YQKDOESWHFJELP-CJNGLKHVSA-N 2 1 387.337 3.202 10 0 GGAEMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)CC[NH2+]1 ZINC000646497117 567720458 /nfs/dbraw/zinc/72/04/58/567720458.db2.gz PAFHOLQLRHOZIG-ZFWWWQNUSA-N 2 1 384.351 3.462 10 0 GGAEMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000623541406 567720863 /nfs/dbraw/zinc/72/08/63/567720863.db2.gz HYXJNBMQWVENKH-HOTGVXAUSA-N 2 1 399.373 3.071 10 0 GGAEMP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000623871684 567742927 /nfs/dbraw/zinc/74/29/27/567742927.db2.gz KQWYLEXIOBRYMK-GFCCVEGCSA-N 2 1 379.854 3.121 10 0 GGAEMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000623873415 567743075 /nfs/dbraw/zinc/74/30/75/567743075.db2.gz HMQCSIFCVUVBJM-LBPRGKRZSA-N 2 1 379.854 3.385 10 0 GGAEMP CC[NH+]1CCC([NH2+][C@H]2CCN(c3ncc(C(F)(F)F)cc3Cl)C2)CC1 ZINC000461883642 567750702 /nfs/dbraw/zinc/75/07/02/567750702.db2.gz OEYAZPNCBIRVCG-AWEZNQCLSA-N 2 1 376.854 3.406 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313513 567770767 /nfs/dbraw/zinc/77/07/67/567770767.db2.gz UYVYLGGZBILOJL-UAGQMJEPSA-N 2 1 376.488 3.402 10 0 GGAEMP CSC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000574313513 567770772 /nfs/dbraw/zinc/77/07/72/567770772.db2.gz UYVYLGGZBILOJL-UAGQMJEPSA-N 2 1 376.488 3.402 10 0 GGAEMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000574771040 567796483 /nfs/dbraw/zinc/79/64/83/567796483.db2.gz OKHYNSVFIWAZRY-UHFFFAOYSA-N 2 1 394.357 3.048 10 0 GGAEMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Br)cc1 ZINC000647901814 567805730 /nfs/dbraw/zinc/80/57/30/567805730.db2.gz VVFAOLQFLJAJQT-WMLDXEAASA-N 2 1 380.330 3.242 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975762 567808929 /nfs/dbraw/zinc/80/89/29/567808929.db2.gz FPXQMGXSNCDFDJ-OAGGEKHMSA-N 2 1 394.357 3.488 10 0 GGAEMP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975762 567808932 /nfs/dbraw/zinc/80/89/32/567808932.db2.gz FPXQMGXSNCDFDJ-OAGGEKHMSA-N 2 1 394.357 3.488 10 0 GGAEMP CCC[N@@H+](Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C[C@@H](O)CC ZINC000035781191 570448449 /nfs/dbraw/zinc/44/84/49/570448449.db2.gz IINZNVBKRSLACC-IBGZPJMESA-N 2 1 386.540 3.076 10 0 GGAEMP CCC[N@H+](Cc1c(-c2ccccc2)noc1N1CC[NH+](C)CC1)C[C@@H](O)CC ZINC000035781191 570448452 /nfs/dbraw/zinc/44/84/52/570448452.db2.gz IINZNVBKRSLACC-IBGZPJMESA-N 2 1 386.540 3.076 10 0 GGAEMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc(N2CC[NH+](C)CC2)c1 ZINC000252495564 570975192 /nfs/dbraw/zinc/97/51/92/570975192.db2.gz OTRIQIZUEWQZBC-HXUWFJFHSA-N 2 1 399.583 3.133 10 0 GGAEMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(Br)c1OC(F)F ZINC000065981490 1408767247 /nfs/dbraw/zinc/76/72/47/1408767247.db2.gz AUVDYKRSJROQIJ-SNVBAGLBSA-N 2 1 381.261 3.489 10 0 GGAEMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)CCO1 ZINC000067976555 1409267964 /nfs/dbraw/zinc/26/79/64/1409267964.db2.gz FESYGAJLCZKXOY-GOSISDBHSA-N 2 1 382.504 3.358 10 0 GGAEMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccc4c3OCCCO4)c2)CCO1 ZINC000067976555 1409267971 /nfs/dbraw/zinc/26/79/71/1409267971.db2.gz FESYGAJLCZKXOY-GOSISDBHSA-N 2 1 382.504 3.358 10 0 GGAEMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@H](O)c3ccccc3)CC2)c1C ZINC000091708345 1410078474 /nfs/dbraw/zinc/07/84/74/1410078474.db2.gz ZIUOINZLFIYRTQ-QFIPXVFZSA-N 2 1 383.536 3.337 10 0 GGAEMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@H](O)c3ccccc3)CC2)c1C ZINC000091708345 1410078477 /nfs/dbraw/zinc/07/84/77/1410078477.db2.gz ZIUOINZLFIYRTQ-QFIPXVFZSA-N 2 1 383.536 3.337 10 0 GGAEMP COc1c(C)c[nH+]c(CN2CCC([N@H+](C)C[C@@H](O)c3ccccc3)CC2)c1C ZINC000091708346 1410078523 /nfs/dbraw/zinc/07/85/23/1410078523.db2.gz ZIUOINZLFIYRTQ-JOCHJYFZSA-N 2 1 383.536 3.337 10 0 GGAEMP COc1c(C)c[nH+]c(CN2CCC([N@@H+](C)C[C@@H](O)c3ccccc3)CC2)c1C ZINC000091708346 1410078527 /nfs/dbraw/zinc/07/85/27/1410078527.db2.gz ZIUOINZLFIYRTQ-JOCHJYFZSA-N 2 1 383.536 3.337 10 0 GGAEMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC1)CC(C)C ZINC000095459632 1410312018 /nfs/dbraw/zinc/31/20/18/1410312018.db2.gz ILFRHZAUNRJZFD-QFIPXVFZSA-N 2 1 393.616 3.236 10 0 GGAEMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1)CC(C)C ZINC000095459632 1410312022 /nfs/dbraw/zinc/31/20/22/1410312022.db2.gz ILFRHZAUNRJZFD-QFIPXVFZSA-N 2 1 393.616 3.236 10 0 GGAEMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCOCC2)CC1)CC(C)C ZINC000095459632 1410312027 /nfs/dbraw/zinc/31/20/27/1410312027.db2.gz ILFRHZAUNRJZFD-QFIPXVFZSA-N 2 1 393.616 3.236 10 0 GGAEMP O=C(C1CC[NH+](Cc2cccc(F)c2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000096626068 1410335584 /nfs/dbraw/zinc/33/55/84/1410335584.db2.gz ZQNSMYQOURSAIE-UHFFFAOYSA-N 2 1 395.522 3.382 10 0 GGAEMP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3c(Cl)nc4ccccn43)cc2)CC1 ZINC000105495519 1411071883 /nfs/dbraw/zinc/07/18/83/1411071883.db2.gz AIVDELGTOCZHCL-UHFFFAOYSA-N 2 1 384.911 3.234 10 0 GGAEMP CCc1nn(C)c(Cl)c1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000116342313 1412851524 /nfs/dbraw/zinc/85/15/24/1412851524.db2.gz AMPMGKLKNJSIAK-UHFFFAOYSA-N 2 1 379.936 3.243 10 0 GGAEMP CCCn1c(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)nc2ccccc21 ZINC000119009672 1413302795 /nfs/dbraw/zinc/30/27/95/1413302795.db2.gz GUANPDUWALNWKT-UHFFFAOYSA-N 2 1 393.535 3.028 10 0 GGAEMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120652408 1413866464 /nfs/dbraw/zinc/86/64/64/1413866464.db2.gz DRUBJKQRKZGBCO-UWJYYQICSA-N 2 1 382.504 3.093 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000125283519 1415151783 /nfs/dbraw/zinc/15/17/83/1415151783.db2.gz HQIDNLMWPMFVIK-OAHLLOKOSA-N 2 1 377.330 3.375 10 0 GGAEMP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000125283519 1415151797 /nfs/dbraw/zinc/15/17/97/1415151797.db2.gz HQIDNLMWPMFVIK-OAHLLOKOSA-N 2 1 377.330 3.375 10 0 GGAEMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(O)ccc2Br)c1 ZINC000126564906 1415493614 /nfs/dbraw/zinc/49/36/14/1415493614.db2.gz IDGDVGSCZGJUNX-UHFFFAOYSA-N 2 1 379.298 3.385 10 0 GGAEMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cc1 ZINC000128281245 1415953870 /nfs/dbraw/zinc/95/38/70/1415953870.db2.gz FKCLBGLXLBUDGL-LJQANCHMSA-N 2 1 383.492 3.266 10 0 GGAEMP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000128281245 1415953871 /nfs/dbraw/zinc/95/38/71/1415953871.db2.gz FKCLBGLXLBUDGL-LJQANCHMSA-N 2 1 383.492 3.266 10 0 GGAEMP CCOC(=O)COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1 ZINC000128281245 1415953874 /nfs/dbraw/zinc/95/38/74/1415953874.db2.gz FKCLBGLXLBUDGL-LJQANCHMSA-N 2 1 383.492 3.266 10 0 GGAEMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000130378969 1416367554 /nfs/dbraw/zinc/36/75/54/1416367554.db2.gz BXEGRXDUEFOQMZ-SFHVURJKSA-N 2 1 386.515 3.219 10 0 GGAEMP COc1cc(OC)cc([C@H](O)C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000130918522 1416481089 /nfs/dbraw/zinc/48/10/89/1416481089.db2.gz HMTWEESFYVEYEW-HSZRJFAPSA-N 2 1 384.520 3.034 10 0 GGAEMP O=C(c1ccoc1)N1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000133253112 1416870648 /nfs/dbraw/zinc/87/06/48/1416870648.db2.gz ASGUYJIQTGDZLM-UHFFFAOYSA-N 2 1 381.520 3.181 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(OC4CCCCC4)cc3)cn2)CC1 ZINC000134262434 1417046564 /nfs/dbraw/zinc/04/65/64/1417046564.db2.gz CKQLUNJJYKOGKL-UHFFFAOYSA-N 2 1 395.551 3.230 10 0 GGAEMP C[NH+]1CCN(c2ncc(C[NH2+]CC3(Sc4ccccc4)CCCC3)cn2)CC1 ZINC000134304993 1417053357 /nfs/dbraw/zinc/05/33/57/1417053357.db2.gz BSPPDUVSDCOQLF-UHFFFAOYSA-N 2 1 397.592 3.423 10 0 GGAEMP COc1ccc(Br)cc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000136221683 1417302325 /nfs/dbraw/zinc/30/23/25/1417302325.db2.gz AEDKGGPVNZYAST-UHFFFAOYSA-N 2 1 394.313 3.083 10 0 GGAEMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000156240227 1423739458 /nfs/dbraw/zinc/73/94/58/1423739458.db2.gz UTPIRASOWQTZQO-FQEVSTJZSA-N 2 1 389.540 3.008 10 0 GGAEMP Cc1cc(N2CCC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)CC2)nc(C)n1 ZINC000162250507 1424831207 /nfs/dbraw/zinc/83/12/07/1424831207.db2.gz GFJWMVCZRSXDNO-UHFFFAOYSA-N 2 1 393.579 3.359 10 0 GGAEMP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1cc(Br)ccc1F)CC2 ZINC000169789840 1425257552 /nfs/dbraw/zinc/25/75/52/1425257552.db2.gz WQKAHBUPHJKKTJ-HNNXBMFYSA-N 2 1 385.321 3.378 10 0 GGAEMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1cc(Br)ccc1F)CC2 ZINC000169789840 1425257559 /nfs/dbraw/zinc/25/75/59/1425257559.db2.gz WQKAHBUPHJKKTJ-HNNXBMFYSA-N 2 1 385.321 3.378 10 0 GGAEMP COC[C@@H]1C[N@@H+](C)CC12CC[NH+](Cc1ccc(OC)c(OC)c1Cl)CC2 ZINC000169789854 1425257665 /nfs/dbraw/zinc/25/76/65/1425257665.db2.gz IWXCUCYYTMWRPK-INIZCTEOSA-N 2 1 382.932 3.147 10 0 GGAEMP CNC(=O)N1CCC([C@H]2CC[N@@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000169789097 1425257740 /nfs/dbraw/zinc/25/77/40/1425257740.db2.gz PYFOHSCHSPKJAA-QFIPXVFZSA-N 2 1 398.595 3.067 10 0 GGAEMP CNC(=O)N1CCC([C@H]2CC[N@H+](C3CC[NH+](CCc4ccccc4)CC3)C2)CC1 ZINC000169789097 1425257744 /nfs/dbraw/zinc/25/77/44/1425257744.db2.gz PYFOHSCHSPKJAA-QFIPXVFZSA-N 2 1 398.595 3.067 10 0 GGAEMP O=C1COc2ccccc2N1CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000181153407 1430229311 /nfs/dbraw/zinc/22/93/11/1430229311.db2.gz ALRPPJLIPMACMV-UHFFFAOYSA-N 2 1 393.531 3.099 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000185714394 1431213607 /nfs/dbraw/zinc/21/36/07/1431213607.db2.gz DWTCZDPNYZSBKD-XYJFISCASA-N 2 1 386.540 3.215 10 0 GGAEMP CC(=O)Nc1cccc(NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000185714394 1431213608 /nfs/dbraw/zinc/21/36/08/1431213608.db2.gz DWTCZDPNYZSBKD-XYJFISCASA-N 2 1 386.540 3.215 10 0 GGAEMP C[N@H+]1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC000192807100 1432893372 /nfs/dbraw/zinc/89/33/72/1432893372.db2.gz HDGJMKYEHJURAV-IYBDPMFKSA-N 2 1 397.592 3.164 10 0 GGAEMP C[N@@H+]1C[C@H]2CN(c3nc(C[NH+]4CCCC4)nc4sc5c(c43)CCCC5)C[C@H]2C1 ZINC000192807100 1432893374 /nfs/dbraw/zinc/89/33/74/1432893374.db2.gz HDGJMKYEHJURAV-IYBDPMFKSA-N 2 1 397.592 3.164 10 0 GGAEMP Cn1cc([C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)c2ccccc2)cn1 ZINC000225668041 1433367482 /nfs/dbraw/zinc/36/74/82/1433367482.db2.gz ZKANHDGYWRIXAR-DEOSSOPVSA-N 2 1 390.531 3.256 10 0 GGAEMP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)c2cccs2)CC1 ZINC000236730447 1433377222 /nfs/dbraw/zinc/37/72/22/1433377222.db2.gz CMMJCEUMRGWZLR-VQTJNVASSA-N 2 1 383.561 3.352 10 0 GGAEMP COc1ccc([C@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000237352344 1433398841 /nfs/dbraw/zinc/39/88/41/1433398841.db2.gz CEXNWWCOMMSGCJ-PKTZIBPZSA-N 2 1 393.531 3.053 10 0 GGAEMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000237523394 1433407998 /nfs/dbraw/zinc/40/79/98/1433407998.db2.gz GZHBIIYGLBWPJD-JPYJTQIMSA-N 2 1 377.532 3.249 10 0 GGAEMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)COc1ccc(F)cc1 ZINC000245686841 1433499405 /nfs/dbraw/zinc/49/94/05/1433499405.db2.gz JREBFTMWWGENCC-CIAFKFPVSA-N 2 1 384.495 3.351 10 0 GGAEMP CN(C(=O)C[N@H+]1CC[C@@H](CNc2ccccn2)C1)[C@H]1CCCc2ccccc21 ZINC000246126504 1433571976 /nfs/dbraw/zinc/57/19/76/1433571976.db2.gz LVLBREYSOIIBJK-RXVVDRJESA-N 2 1 378.520 3.351 10 0 GGAEMP COCc1nnc([C@H]2C[N@@H+](Cc3cccc(Cl)c3)CC23CC[NH+](C)CC3)o1 ZINC000257178315 1433893552 /nfs/dbraw/zinc/89/35/52/1433893552.db2.gz ZWSGISQQUHGSAZ-QGZVFWFLSA-N 2 1 390.915 3.181 10 0 GGAEMP CCOc1ccc(C[N@@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893569 /nfs/dbraw/zinc/89/35/69/1433893569.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 2 1 380.532 3.402 10 0 GGAEMP CCOc1ccc(C[N@H+]2CC[C@]3(CO)C[NH+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893571 /nfs/dbraw/zinc/89/35/71/1433893571.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 2 1 380.532 3.402 10 0 GGAEMP CCOc1ccc(C[NH+]2CC[C@]3(CO)C[N@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893572 /nfs/dbraw/zinc/89/35/72/1433893572.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 2 1 380.532 3.402 10 0 GGAEMP CCOc1ccc(C[NH+]2CC[C@]3(CO)C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cc1 ZINC000257177125 1433893574 /nfs/dbraw/zinc/89/35/74/1433893574.db2.gz VWUUACLDULGDGF-LADGPHEKSA-N 2 1 380.532 3.402 10 0 GGAEMP CC(=O)N1CCC([N@@H+]2Cc3ccccc3OC3(CC[NH+](C(C)C)CC3)C2)CC1 ZINC000257188167 1433894360 /nfs/dbraw/zinc/89/43/60/1433894360.db2.gz MLZPXMQKXDYRHC-UHFFFAOYSA-N 2 1 385.552 3.135 10 0 GGAEMP CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257190010 1433894545 /nfs/dbraw/zinc/89/45/45/1433894545.db2.gz OHKIETSLTKQLHT-NXYDZRKXSA-N 2 1 398.595 3.405 10 0 GGAEMP CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257190010 1433894546 /nfs/dbraw/zinc/89/45/46/1433894546.db2.gz OHKIETSLTKQLHT-NXYDZRKXSA-N 2 1 398.595 3.405 10 0 GGAEMP CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257190010 1433894547 /nfs/dbraw/zinc/89/45/47/1433894547.db2.gz OHKIETSLTKQLHT-NXYDZRKXSA-N 2 1 398.595 3.405 10 0 GGAEMP CCN(Cc1ccncc1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1C)[C@@H]23 ZINC000257190010 1433894549 /nfs/dbraw/zinc/89/45/49/1433894549.db2.gz OHKIETSLTKQLHT-NXYDZRKXSA-N 2 1 398.595 3.405 10 0 GGAEMP C[N@H+](Cc1ccncc1)C[C@@H]1CCC2(CC[NH+](Cc3ccc(O)cc3)CC2)O1 ZINC000257192174 1433894713 /nfs/dbraw/zinc/89/47/13/1433894713.db2.gz STGKBXWLYPJFOO-QFIPXVFZSA-N 2 1 381.520 3.433 10 0 GGAEMP CN(Cc1cccnc1)C(=O)CCC[C@@H]1[C@H]2CCC[N@@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257193806 1433894766 /nfs/dbraw/zinc/89/47/66/1433894766.db2.gz RZQIZNQITKAWIV-GNXKAVGDSA-N 2 1 384.568 3.015 10 0 GGAEMP CN(Cc1cccnc1)C(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1C)[C@@H]23 ZINC000257193806 1433894767 /nfs/dbraw/zinc/89/47/67/1433894767.db2.gz RZQIZNQITKAWIV-GNXKAVGDSA-N 2 1 384.568 3.015 10 0 GGAEMP CN(Cc1cccnc1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1C)[C@@H]23 ZINC000257193806 1433894769 /nfs/dbraw/zinc/89/47/69/1433894769.db2.gz RZQIZNQITKAWIV-GNXKAVGDSA-N 2 1 384.568 3.015 10 0 GGAEMP CN(Cc1cccnc1)C(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1C)[C@@H]23 ZINC000257193806 1433894770 /nfs/dbraw/zinc/89/47/70/1433894770.db2.gz RZQIZNQITKAWIV-GNXKAVGDSA-N 2 1 384.568 3.015 10 0 GGAEMP CC(C)NC(=O)CCC[C@@H]1[C@H]2CCC[N@H+]3CCC[C@@H](C[NH+]1Cc1cccnc1)[C@@H]23 ZINC000257196331 1433894955 /nfs/dbraw/zinc/89/49/55/1433894955.db2.gz YANBSXAJWDYKDZ-NXYDZRKXSA-N 2 1 398.595 3.451 10 0 GGAEMP CC(C)NC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@@H+]1Cc1cccnc1)[C@@H]23 ZINC000257196331 1433894956 /nfs/dbraw/zinc/89/49/56/1433894956.db2.gz YANBSXAJWDYKDZ-NXYDZRKXSA-N 2 1 398.595 3.451 10 0 GGAEMP CC(C)NC(=O)CCC[C@@H]1[C@H]2CCC[NH+]3CCC[C@@H](C[N@H+]1Cc1cccnc1)[C@@H]23 ZINC000257196331 1433894957 /nfs/dbraw/zinc/89/49/57/1433894957.db2.gz YANBSXAJWDYKDZ-NXYDZRKXSA-N 2 1 398.595 3.451 10 0 GGAEMP c1ccc(C[N@H+]2CC[C@@H](c3nnc4n3CC[NH+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196970 1433895076 /nfs/dbraw/zinc/89/50/76/1433895076.db2.gz ZFHBGXQCSLGAQK-JOCHJYFZSA-N 2 1 387.531 3.326 10 0 GGAEMP c1ccc(C[NH+]2CC[C@@H](c3nnc4n3CC[N@@H+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196970 1433895078 /nfs/dbraw/zinc/89/50/78/1433895078.db2.gz ZFHBGXQCSLGAQK-JOCHJYFZSA-N 2 1 387.531 3.326 10 0 GGAEMP c1ccc(C[NH+]2CC[C@@H](c3nnc4n3CC[N@H+](Cc3ccccc3)CC4)C2)cc1 ZINC000257196970 1433895079 /nfs/dbraw/zinc/89/50/79/1433895079.db2.gz ZFHBGXQCSLGAQK-JOCHJYFZSA-N 2 1 387.531 3.326 10 0 GGAEMP