smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@H]5C[C@@]5([NH3+])C3)n2)CCC4)CC1 ZINC001164421375 718888315 /nfs/dbraw/zinc/88/83/15/718888315.db2.gz XMHRKRVCHQZRPR-SPLOXXLWSA-N 2 1 383.565 2.949 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(C(=O)OC(C)(C)C)ccn2)c2c1CC[NH2+]C2 ZINC001164683929 719608186 /nfs/dbraw/zinc/60/81/86/719608186.db2.gz LNXUYBAITKVDIH-UHFFFAOYSA-N 2 1 385.512 2.709 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(C(=O)OC(C)(C)C)ccn2)c2c1CC[NH2+]C2 ZINC001164683929 719608192 /nfs/dbraw/zinc/60/81/92/719608192.db2.gz LNXUYBAITKVDIH-UHFFFAOYSA-N 2 1 385.512 2.709 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(Oc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684305 719612016 /nfs/dbraw/zinc/61/20/16/719612016.db2.gz OIBIMLBHPWDKKR-UHFFFAOYSA-N 2 1 378.480 2.941 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(Oc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684305 719612025 /nfs/dbraw/zinc/61/20/25/719612025.db2.gz OIBIMLBHPWDKKR-UHFFFAOYSA-N 2 1 378.480 2.941 20 0 GFADMP COC(=O)c1cc2ccccc2nc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681179 719629998 /nfs/dbraw/zinc/62/99/98/719629998.db2.gz CDTONRRVQAIJAS-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC(=O)c1cc2ccccc2nc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164681179 719630004 /nfs/dbraw/zinc/63/00/04/719630004.db2.gz CDTONRRVQAIJAS-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(-c3ccc(F)cc3)n2)c2c1CC[NH2+]C2 ZINC001164683504 719649903 /nfs/dbraw/zinc/64/99/03/719649903.db2.gz VPGYPLGEMPYXOT-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(-c3ccc(F)cc3)n2)c2c1CC[NH2+]C2 ZINC001164683504 719649908 /nfs/dbraw/zinc/64/99/08/719649908.db2.gz VPGYPLGEMPYXOT-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP COC(=O)c1cc(Cl)c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C ZINC001164679443 719650389 /nfs/dbraw/zinc/65/03/89/719650389.db2.gz APGSNKDHPJTKTR-UHFFFAOYSA-N 2 1 391.903 2.502 20 0 GFADMP COC(=O)c1cc(Cl)c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc1C ZINC001164679443 719650396 /nfs/dbraw/zinc/65/03/96/719650396.db2.gz APGSNKDHPJTKTR-UHFFFAOYSA-N 2 1 391.903 2.502 20 0 GFADMP Cc1[nH+]c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)cc2[nH]ccc21 ZINC001164812324 720233301 /nfs/dbraw/zinc/23/33/01/720233301.db2.gz FNUQCYVIVCFSCP-UHFFFAOYSA-N 2 1 380.496 2.679 20 0 GFADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001164726789 720517288 /nfs/dbraw/zinc/51/72/88/720517288.db2.gz DUTWZKBZLZHOLQ-MRXNPFEDSA-N 2 1 379.512 2.941 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834910 720526746 /nfs/dbraw/zinc/52/67/46/720526746.db2.gz IEGFYEOSTJFQIJ-ZIFCJYIRSA-N 2 1 379.512 2.841 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164834910 720526752 /nfs/dbraw/zinc/52/67/52/720526752.db2.gz IEGFYEOSTJFQIJ-ZIFCJYIRSA-N 2 1 379.512 2.841 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)[C@H]2C ZINC001164863581 720989749 /nfs/dbraw/zinc/98/97/49/720989749.db2.gz WVNWCTNZNYQMDJ-KRWDZBQOSA-N 3 1 397.571 2.627 20 0 GFADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)n1)[C@H]2C ZINC001164863581 720989767 /nfs/dbraw/zinc/98/97/67/720989767.db2.gz WVNWCTNZNYQMDJ-KRWDZBQOSA-N 2 1 397.571 2.627 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)n1)[C@H]2C ZINC001164863581 720989775 /nfs/dbraw/zinc/98/97/75/720989775.db2.gz WVNWCTNZNYQMDJ-KRWDZBQOSA-N 2 1 397.571 2.627 20 0 GFADMP Cc1cnc(N2CCC(F)(F)[C@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C[NH3+])c1 ZINC001164908356 721719659 /nfs/dbraw/zinc/71/96/59/721719659.db2.gz XGBBIDYJCWRXDH-FQEVSTJZSA-N 2 1 387.478 2.981 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164980458 722124243 /nfs/dbraw/zinc/12/42/43/722124243.db2.gz RFBIYJFBUUSJHX-RXVVDRJESA-N 2 1 377.492 2.994 20 0 GFADMP C[C@H](COc1ccc2cc(Br)ccc2c1)NC[C@@H](O)C[NH+](C)C ZINC000154270510 551470890 /nfs/dbraw/zinc/47/08/90/551470890.db2.gz UCHQHMKTQWSRAT-CXAGYDPISA-N 2 1 381.314 2.882 20 0 GFADMP O=C(NCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426926 551631815 /nfs/dbraw/zinc/63/18/15/551631815.db2.gz DXHPXNCNRSUJDX-DLBZAZTESA-N 2 1 380.330 2.785 20 0 GFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(Br)c2OC)CC1 ZINC000187121910 552407064 /nfs/dbraw/zinc/40/70/64/552407064.db2.gz UOQRSIZDAVQNCI-UHFFFAOYSA-N 2 1 384.362 2.965 20 0 GFADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc(Br)c1O ZINC000277713265 563221868 /nfs/dbraw/zinc/22/18/68/563221868.db2.gz IVBDBALVHTYWFI-ZDUSSCGKSA-N 2 1 387.318 2.754 20 0 GFADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(Br)c1O ZINC000277713265 563221870 /nfs/dbraw/zinc/22/18/70/563221870.db2.gz IVBDBALVHTYWFI-ZDUSSCGKSA-N 2 1 387.318 2.754 20 0 GFADMP C[C@H]1CC2(C[N@H+]1CC(=O)N(C)Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424291357 563376138 /nfs/dbraw/zinc/37/61/38/563376138.db2.gz NQCUKCZVVUUAAG-HNNXBMFYSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@@H](C[NH2+]Cc1c(F)ccc(Br)c1F)CN1CC[NH+](C)CC1 ZINC000281938194 563391038 /nfs/dbraw/zinc/39/10/38/563391038.db2.gz HVLZPEOANZWZLC-LBPRGKRZSA-N 2 1 376.289 2.700 20 0 GFADMP Clc1ccc(SCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000375334608 563400564 /nfs/dbraw/zinc/40/05/64/563400564.db2.gz IXKBEYUOPWHSND-UHFFFAOYSA-N 2 1 383.989 2.772 20 0 GFADMP Clc1ccc(SCC[NH+]2CCN(CC[N@H+]3CCCOCC3)CC2)cc1 ZINC000375334608 563400567 /nfs/dbraw/zinc/40/05/67/563400567.db2.gz IXKBEYUOPWHSND-UHFFFAOYSA-N 2 1 383.989 2.772 20 0 GFADMP CCC[N@@H+](C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425097235 563404126 /nfs/dbraw/zinc/40/41/26/563404126.db2.gz HJIJADLWNKIKAS-UHFFFAOYSA-N 2 1 385.350 2.727 20 0 GFADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000395161361 563530842 /nfs/dbraw/zinc/53/08/42/563530842.db2.gz UGXXHCXKQISJBT-MAUKXSAKSA-N 2 1 394.357 2.838 20 0 GFADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000430958303 563550808 /nfs/dbraw/zinc/55/08/08/563550808.db2.gz RZIGNGIMGBEBFG-LBPRGKRZSA-N 2 1 379.302 2.982 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360890180 563695227 /nfs/dbraw/zinc/69/52/27/563695227.db2.gz XTXNEHNNCQLOMZ-KBRIMQKVSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000360890180 563695230 /nfs/dbraw/zinc/69/52/30/563695230.db2.gz XTXNEHNNCQLOMZ-KBRIMQKVSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H]1c2cccc(Br)c2CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741793 563751703 /nfs/dbraw/zinc/75/17/03/563751703.db2.gz FSFFAFCOJNMEHJ-UONOGXRCSA-N 2 1 380.330 2.566 20 0 GFADMP C[C@@H](C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739673 563751741 /nfs/dbraw/zinc/75/17/41/563751741.db2.gz JDDWAUFMPMFTNV-UONOGXRCSA-N 2 1 388.339 2.890 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414928634 563754343 /nfs/dbraw/zinc/75/43/43/563754343.db2.gz NALRRBWBVTZVTL-SCLBCKFNSA-N 2 1 394.357 2.950 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414962558 563755064 /nfs/dbraw/zinc/75/50/64/563755064.db2.gz ZTTLZAPLMGQUCO-DZGCQCFKSA-N 2 1 399.329 2.930 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247369 563837918 /nfs/dbraw/zinc/83/79/18/563837918.db2.gz URGDHXJIPHCFJR-UTRMSSBJSA-N 2 1 397.357 2.962 20 0 GFADMP Brc1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc2c1OCCCO2 ZINC000368082096 563863467 /nfs/dbraw/zinc/86/34/67/563863467.db2.gz RPWABNHVQDUMPC-LBPRGKRZSA-N 2 1 378.270 2.981 20 0 GFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370281 564278352 /nfs/dbraw/zinc/27/83/52/564278352.db2.gz PFRSRKXGSBAERB-QZTJIDSGSA-N 2 1 385.346 2.819 20 0 GFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370281 564278353 /nfs/dbraw/zinc/27/83/53/564278353.db2.gz PFRSRKXGSBAERB-QZTJIDSGSA-N 2 1 385.346 2.819 20 0 GFADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490107 564373917 /nfs/dbraw/zinc/37/39/17/564373917.db2.gz QPTYSFPBMILHGW-XYPHTWIQSA-N 2 1 377.535 2.636 20 0 GFADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000512009010 564389581 /nfs/dbraw/zinc/38/95/81/564389581.db2.gz SBDLTRRVLJIIBI-ZYHUDNBSSA-N 2 1 381.826 2.588 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000513884421 564442107 /nfs/dbraw/zinc/44/21/07/564442107.db2.gz WWRNSPYAVOWHPT-KRWDZBQOSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ccc(Br)cc2)CC1 ZINC000513884421 564442110 /nfs/dbraw/zinc/44/21/10/564442110.db2.gz WWRNSPYAVOWHPT-KRWDZBQOSA-N 2 1 380.330 2.750 20 0 GFADMP CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481928627 564527662 /nfs/dbraw/zinc/52/76/62/564527662.db2.gz AKNUUJHWESOAPW-HNNXBMFYSA-N 2 1 375.966 2.877 20 0 GFADMP C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[NH+]1C ZINC000456371795 564603514 /nfs/dbraw/zinc/60/35/14/564603514.db2.gz NEQJZTKYAAWSPC-CXAGYDPISA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[NH+]1C ZINC000456371795 564603516 /nfs/dbraw/zinc/60/35/16/564603516.db2.gz NEQJZTKYAAWSPC-CXAGYDPISA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000456371795 564603520 /nfs/dbraw/zinc/60/35/20/564603520.db2.gz NEQJZTKYAAWSPC-CXAGYDPISA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000456371795 564603522 /nfs/dbraw/zinc/60/35/22/564603522.db2.gz NEQJZTKYAAWSPC-CXAGYDPISA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752936 564608776 /nfs/dbraw/zinc/60/87/76/564608776.db2.gz PAJUVOREHAHMHE-GDBMZVCRSA-N 2 1 391.339 2.824 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc(I)c2)CCCO1 ZINC000573227736 564629018 /nfs/dbraw/zinc/62/90/18/564629018.db2.gz VVKWYTXLEQNPLK-CQSZACIVSA-N 2 1 388.293 2.882 20 0 GFADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000459566107 564751553 /nfs/dbraw/zinc/75/15/53/564751553.db2.gz HCHPUDNIAFWTMY-AWEZNQCLSA-N 2 1 385.321 2.956 20 0 GFADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527639657 564753071 /nfs/dbraw/zinc/75/30/71/564753071.db2.gz HQKGLCFDJRANMV-GFCCVEGCSA-N 2 1 375.742 2.613 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3cccc(Br)c3)CC2)CC1 ZINC000580454307 564759236 /nfs/dbraw/zinc/75/92/36/564759236.db2.gz CQNJEEBWCDZETR-UHFFFAOYSA-N 2 1 394.357 2.793 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@@H](C)C1 ZINC000490404408 564770013 /nfs/dbraw/zinc/77/00/13/564770013.db2.gz RFMFIHCZGUOHPW-RDJZCZTQSA-N 2 1 387.366 2.762 20 0 GFADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Br)cc1F ZINC000583499817 564894800 /nfs/dbraw/zinc/89/48/00/564894800.db2.gz AXPDTPNGFIKYAT-BETUJISGSA-N 2 1 384.293 2.848 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381811 564908718 /nfs/dbraw/zinc/90/87/18/564908718.db2.gz BGARLSIFCAOAGX-PVAVHDDUSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381811 564908722 /nfs/dbraw/zinc/90/87/22/564908722.db2.gz BGARLSIFCAOAGX-PVAVHDDUSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381811 564908724 /nfs/dbraw/zinc/90/87/24/564908724.db2.gz BGARLSIFCAOAGX-PVAVHDDUSA-N 2 1 385.346 2.993 20 0 GFADMP CN(CCC[N@@H+](C)Cc1cccc(I)c1)CC[NH+](C)C ZINC000584199308 564925379 /nfs/dbraw/zinc/92/53/79/564925379.db2.gz ASUCIHQHYQGDBR-UHFFFAOYSA-N 2 1 389.325 2.607 20 0 GFADMP O=C(CC[N@@H+]1CCC[C@@H]1c1ccc(Br)c(F)c1)N1CC[NH2+]CC1 ZINC000563154068 565057646 /nfs/dbraw/zinc/05/76/46/565057646.db2.gz NSAOETRMXXHOMW-MRXNPFEDSA-N 2 1 384.293 2.547 20 0 GFADMP Brc1cnc2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184591 565187548 /nfs/dbraw/zinc/18/75/48/565187548.db2.gz YSDHNAWZSQETBD-GUYCJALGSA-N 2 1 390.329 2.941 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cc(F)ccc1Br ZINC000617506400 565244599 /nfs/dbraw/zinc/24/45/99/565244599.db2.gz LYMXIGCTKAGLQA-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cc(F)ccc1Br ZINC000617506400 565244604 /nfs/dbraw/zinc/24/46/04/565244604.db2.gz LYMXIGCTKAGLQA-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cccc(Br)c3Cl)nn2)CC1 ZINC000641118781 565347456 /nfs/dbraw/zinc/34/74/56/565347456.db2.gz VHMXYJNYUSRMRU-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP C[C@@]([NH3+])(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004803 565392568 /nfs/dbraw/zinc/39/25/68/565392568.db2.gz RSBQOBZQFUPRDR-BEFAXECRSA-N 2 1 394.357 2.861 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1sccc1Br ZINC000663867305 565440801 /nfs/dbraw/zinc/44/08/01/565440801.db2.gz OZQVPHGXZANQTO-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1sccc1Br ZINC000663867305 565440804 /nfs/dbraw/zinc/44/08/04/565440804.db2.gz OZQVPHGXZANQTO-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000623357022 565505973 /nfs/dbraw/zinc/50/59/73/565505973.db2.gz VHGMGRHMEBJECQ-UHFFFAOYSA-N 2 1 376.289 2.845 20 0 GFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)c(I)c1 ZINC000600710265 565745501 /nfs/dbraw/zinc/74/55/01/565745501.db2.gz QYXZHRJKXFCHRS-SNVBAGLBSA-N 2 1 378.229 2.589 20 0 GFADMP C[C@@H](c1ccccc1Br)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630612394 565911577 /nfs/dbraw/zinc/91/15/77/565911577.db2.gz MTXFNBLDMVPRBQ-ZDUSSCGKSA-N 2 1 378.318 2.616 20 0 GFADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237074 565965654 /nfs/dbraw/zinc/96/56/54/565965654.db2.gz AMFIEPLZTPHHJU-SJORKVTESA-N 2 1 380.330 2.785 20 0 GFADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343286 566008981 /nfs/dbraw/zinc/00/89/81/566008981.db2.gz OZYQXARKVLAZLC-HUUCEWRRSA-N 2 1 375.314 2.903 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265452 598870381 /nfs/dbraw/zinc/87/03/81/598870381.db2.gz AZNSURGMIVRIMY-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265452 598870384 /nfs/dbraw/zinc/87/03/84/598870384.db2.gz AZNSURGMIVRIMY-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265452 598870386 /nfs/dbraw/zinc/87/03/86/598870386.db2.gz AZNSURGMIVRIMY-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265452 598870387 /nfs/dbraw/zinc/87/03/87/598870387.db2.gz AZNSURGMIVRIMY-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736564473 598561524 /nfs/dbraw/zinc/56/15/24/598561524.db2.gz BUUTVVQUWKZQCW-SFHVURJKSA-N 2 1 392.507 2.877 20 0 GFADMP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521749 608135827 /nfs/dbraw/zinc/13/58/27/608135827.db2.gz XOWZYISUVOZTKL-RYQLBKOJSA-N 2 1 380.521 2.928 20 0 GFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625450 609407789 /nfs/dbraw/zinc/40/77/89/609407789.db2.gz IHPLJSWPZXKOKD-KKSFZXQISA-N 2 1 392.507 2.674 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062304 660244995 /nfs/dbraw/zinc/24/49/95/660244995.db2.gz PPWYETNSQFVASD-QZTJIDSGSA-N 2 1 383.330 2.716 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Br)c1 ZINC000836698238 660933016 /nfs/dbraw/zinc/93/30/16/660933016.db2.gz OOORCGUSTGULKL-HNNXBMFYSA-N 2 1 398.349 2.724 20 0 GFADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461015 654907820 /nfs/dbraw/zinc/90/78/20/654907820.db2.gz UIASIPNNMCWUEG-JSGCOSHPSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461015 654907822 /nfs/dbraw/zinc/90/78/22/654907822.db2.gz UIASIPNNMCWUEG-JSGCOSHPSA-N 2 1 386.309 2.826 20 0 GFADMP COc1sc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1Br ZINC000746730005 655766918 /nfs/dbraw/zinc/76/69/18/655766918.db2.gz YORCEKHOJRDAGX-UHFFFAOYSA-N 2 1 376.364 2.636 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764822 661185251 /nfs/dbraw/zinc/18/52/51/661185251.db2.gz AODZXJVJJJLDPN-SJLPKXTDSA-N 2 1 380.627 2.960 20 0 GFADMP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000760485557 655982375 /nfs/dbraw/zinc/98/23/75/655982375.db2.gz INLVDNPGDLBYNQ-FUHWJXTLSA-N 2 1 380.627 2.937 20 0 GFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000799177508 659171196 /nfs/dbraw/zinc/17/11/96/659171196.db2.gz REBAUJNHAHQXEH-QGZVFWFLSA-N 2 1 397.357 2.997 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000801512260 659400851 /nfs/dbraw/zinc/40/08/51/659400851.db2.gz RVLSGKFNTFZELG-SFHVURJKSA-N 2 1 394.357 2.620 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2Cc2ccc(Br)cc2)CC1 ZINC000801512260 659400860 /nfs/dbraw/zinc/40/08/60/659400860.db2.gz RVLSGKFNTFZELG-SFHVURJKSA-N 2 1 394.357 2.620 20 0 GFADMP [NH3+]CCc1ccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000851632096 661826976 /nfs/dbraw/zinc/82/69/76/661826976.db2.gz IKOSLEFZVGAZNG-UHFFFAOYSA-N 2 1 380.311 2.545 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856950361 662054239 /nfs/dbraw/zinc/05/42/39/662054239.db2.gz ZGUIYYIBDGZNSZ-CABCVRRESA-N 2 1 379.376 2.628 20 0 GFADMP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ncc(Br)s1 ZINC000873247366 662804628 /nfs/dbraw/zinc/80/46/28/662804628.db2.gz LNQAFMYNIAPMGZ-SNVBAGLBSA-N 2 1 393.314 2.796 20 0 GFADMP CCOP(=O)(CCC[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)OCC ZINC000877526845 662878091 /nfs/dbraw/zinc/87/80/91/662878091.db2.gz VPHIKOIVFKENTD-SFHVURJKSA-N 2 1 375.494 2.743 20 0 GFADMP Cc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)sc1Br ZINC000903506034 663785971 /nfs/dbraw/zinc/78/59/71/663785971.db2.gz MVQZEDYURCMROW-OKILXGFUSA-N 2 1 385.375 2.615 20 0 GFADMP Cc1nc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)sc1Br ZINC000903506034 663785972 /nfs/dbraw/zinc/78/59/72/663785972.db2.gz MVQZEDYURCMROW-OKILXGFUSA-N 2 1 385.375 2.615 20 0 GFADMP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2cc(Br)ccc2F)cnn1C ZINC000903904775 663810648 /nfs/dbraw/zinc/81/06/48/663810648.db2.gz ZZSQOPGKTNPWLV-CYBMUJFWSA-N 2 1 383.309 2.880 20 0 GFADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2cc(Br)ccc2F)cnn1C ZINC000903904775 663810649 /nfs/dbraw/zinc/81/06/49/663810649.db2.gz ZZSQOPGKTNPWLV-CYBMUJFWSA-N 2 1 383.309 2.880 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@H]1C(C)C ZINC000922392084 664598880 /nfs/dbraw/zinc/59/88/80/664598880.db2.gz CSJZGSXGUKWEAA-KONPQCLYSA-N 2 1 382.346 2.804 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)C1 ZINC000923390267 664629437 /nfs/dbraw/zinc/62/94/37/664629437.db2.gz WEPKYGMBWTXNPI-RANZSIQMSA-N 2 1 383.330 2.701 20 0 GFADMP Cc1cc(Br)cn2cc(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)nc12 ZINC000925648201 664673747 /nfs/dbraw/zinc/67/37/47/664673747.db2.gz QMRVPTDQXNZJGF-XBJNOIPFSA-N 2 1 375.314 2.534 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164673192 719443125 /nfs/dbraw/zinc/44/31/25/719443125.db2.gz STRVFGMHRVVJBD-JKSUJKDBSA-N 2 1 389.569 2.669 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164673192 719443128 /nfs/dbraw/zinc/44/31/28/719443128.db2.gz STRVFGMHRVVJBD-JKSUJKDBSA-N 2 1 389.569 2.669 20 0 GFADMP CC(C)c1noc(-c2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2)n1 ZINC001164679470 719645759 /nfs/dbraw/zinc/64/57/59/719645759.db2.gz BOQXWGMSOKZUTP-UHFFFAOYSA-N 2 1 395.511 2.927 20 0 GFADMP CC(C)c1noc(-c2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2)n1 ZINC001164679470 719645768 /nfs/dbraw/zinc/64/57/68/719645768.db2.gz BOQXWGMSOKZUTP-UHFFFAOYSA-N 2 1 395.511 2.927 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805922 720078406 /nfs/dbraw/zinc/07/84/06/720078406.db2.gz AVEMAAPEVADFHS-KNQAVFIVSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805922 720078409 /nfs/dbraw/zinc/07/84/09/720078409.db2.gz AVEMAAPEVADFHS-KNQAVFIVSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805922 720078414 /nfs/dbraw/zinc/07/84/14/720078414.db2.gz AVEMAAPEVADFHS-KNQAVFIVSA-N 2 1 385.556 2.570 20 0 GFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@H]2C1 ZINC001164859546 720858818 /nfs/dbraw/zinc/85/88/18/720858818.db2.gz UHNVTHDMNKITEG-FXAWDEMLSA-N 2 1 399.539 2.720 20 0 GFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@H]2C1 ZINC001164859546 720858819 /nfs/dbraw/zinc/85/88/19/720858819.db2.gz UHNVTHDMNKITEG-FXAWDEMLSA-N 2 1 399.539 2.720 20 0 GFADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164879866 721185358 /nfs/dbraw/zinc/18/53/58/721185358.db2.gz UWFIIYRFECTUEM-FGZHOGPDSA-N 2 1 393.535 2.552 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190598848 552502896 /nfs/dbraw/zinc/50/28/96/552502896.db2.gz ZEHWQWCHVDBCKY-MRXNPFEDSA-N 2 1 386.359 2.715 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000236686452 553070502 /nfs/dbraw/zinc/07/05/02/553070502.db2.gz YHXDANRAWMDDPH-QGZVFWFLSA-N 2 1 380.330 2.672 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261647101 553155299 /nfs/dbraw/zinc/15/52/99/553155299.db2.gz JFEONVGHMKRNHH-RHSMWYFYSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261647101 553155301 /nfs/dbraw/zinc/15/53/01/553155301.db2.gz JFEONVGHMKRNHH-RHSMWYFYSA-N 2 1 398.320 2.668 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408943 563262610 /nfs/dbraw/zinc/26/26/10/563262610.db2.gz QDMCCJQEQJEFDZ-YCPHGPKFSA-N 2 1 382.346 2.713 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408943 563262614 /nfs/dbraw/zinc/26/26/14/563262614.db2.gz QDMCCJQEQJEFDZ-YCPHGPKFSA-N 2 1 382.346 2.713 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422943255 563351500 /nfs/dbraw/zinc/35/15/00/563351500.db2.gz XTOSYHJCYVQJIP-BRWVUGGUSA-N 2 1 385.599 2.789 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161691 563357889 /nfs/dbraw/zinc/35/78/89/563357889.db2.gz OCKQVIVGUOYHPS-CKEIUWERSA-N 2 1 385.346 2.729 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000397308388 563531588 /nfs/dbraw/zinc/53/15/88/563531588.db2.gz HVBVPXFEHCIHPD-FQLMCAECSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000397308388 563531590 /nfs/dbraw/zinc/53/15/90/563531590.db2.gz HVBVPXFEHCIHPD-FQLMCAECSA-N 2 1 382.346 2.932 20 0 GFADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000290142748 563699489 /nfs/dbraw/zinc/69/94/89/563699489.db2.gz MPDXNBKSFKDQSK-ROUUACIJSA-N 2 1 394.357 2.918 20 0 GFADMP Brc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc2c1OCO2 ZINC000414875786 563753624 /nfs/dbraw/zinc/75/36/24/563753624.db2.gz JSYPVCQFMJFHTL-UHFFFAOYSA-N 2 1 378.270 2.842 20 0 GFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348554 563758152 /nfs/dbraw/zinc/75/81/52/563758152.db2.gz CNBBOUKKHOFVAH-IAGOWNOFSA-N 2 1 385.346 2.995 20 0 GFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348554 563758157 /nfs/dbraw/zinc/75/81/57/563758157.db2.gz CNBBOUKKHOFVAH-IAGOWNOFSA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348554 563758162 /nfs/dbraw/zinc/75/81/62/563758162.db2.gz CNBBOUKKHOFVAH-IAGOWNOFSA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348554 563758164 /nfs/dbraw/zinc/75/81/64/563758164.db2.gz CNBBOUKKHOFVAH-IAGOWNOFSA-N 2 1 385.346 2.995 20 0 GFADMP NC1(C[NH2+]Cc2ccc(Br)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000415127555 563760615 /nfs/dbraw/zinc/76/06/15/563760615.db2.gz IOZVWVCCIMMBSI-UHFFFAOYSA-N 2 1 389.341 2.927 20 0 GFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457072 563808789 /nfs/dbraw/zinc/80/87/89/563808789.db2.gz GTXSSEHRAIJBRC-ZOBUZTSGSA-N 2 1 385.961 2.916 20 0 GFADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457072 563808793 /nfs/dbraw/zinc/80/87/93/563808793.db2.gz GTXSSEHRAIJBRC-ZOBUZTSGSA-N 2 1 385.961 2.916 20 0 GFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767404 563854669 /nfs/dbraw/zinc/85/46/69/563854669.db2.gz LMARCDUPVZVADO-HNAYVOBHSA-N 2 1 386.367 2.986 20 0 GFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767404 563854672 /nfs/dbraw/zinc/85/46/72/563854672.db2.gz LMARCDUPVZVADO-HNAYVOBHSA-N 2 1 386.367 2.986 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449601380 564192013 /nfs/dbraw/zinc/19/20/13/564192013.db2.gz RJDUHPKIMBDILK-KRWDZBQOSA-N 2 1 399.373 2.609 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510656125 564342445 /nfs/dbraw/zinc/34/24/45/564342445.db2.gz KPYMZLZDVQYCNK-YOEHRIQHSA-N 2 1 380.330 2.613 20 0 GFADMP Ic1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000511038153 564354525 /nfs/dbraw/zinc/35/45/25/564354525.db2.gz NVKIZUVJSAMYHG-LSDHHAIUSA-N 2 1 386.277 2.886 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)cc(Br)c2)CC1 ZINC000516207950 564497104 /nfs/dbraw/zinc/49/71/04/564497104.db2.gz LPWLRBIMNJJQCM-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP C[NH+](C)CC1CC[NH+](Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000518629411 564558704 /nfs/dbraw/zinc/55/87/04/564558704.db2.gz DJCXSJNZXIFLPB-UHFFFAOYSA-N 2 1 378.318 2.803 20 0 GFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000573685254 564649902 /nfs/dbraw/zinc/64/99/02/564649902.db2.gz ZMPGTZFLJDPEAG-CORIIIEPSA-N 2 1 384.293 2.976 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2cccc(I)c2)CC1 ZINC000551556685 564654621 /nfs/dbraw/zinc/65/46/21/564654621.db2.gz SHMUHXDKCCBIOV-UHFFFAOYSA-N 2 1 388.293 2.834 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573920306 564659894 /nfs/dbraw/zinc/65/98/94/564659894.db2.gz KRLVUFNYGVXXAE-UONOGXRCSA-N 2 1 386.277 2.601 20 0 GFADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677168 564661989 /nfs/dbraw/zinc/66/19/89/564661989.db2.gz OLDINTKANLWNFN-KDOFPFPSSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677168 564661993 /nfs/dbraw/zinc/66/19/93/564661993.db2.gz OLDINTKANLWNFN-KDOFPFPSSA-N 2 1 394.357 2.727 20 0 GFADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000487308506 564682971 /nfs/dbraw/zinc/68/29/71/564682971.db2.gz UBBQSOSDXZOUJO-UHFFFAOYSA-N 2 1 393.329 2.947 20 0 GFADMP C[N@@H+](CCn1cc(Cl)cn1)[C@@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC000459375627 564740862 /nfs/dbraw/zinc/74/08/62/564740862.db2.gz NGSHHJBBRNLRCS-QGZVFWFLSA-N 2 1 385.343 2.873 20 0 GFADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714893 564770968 /nfs/dbraw/zinc/77/09/68/564770968.db2.gz NFDWNJZJSVDECK-HOTGVXAUSA-N 2 1 384.351 2.974 20 0 GFADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)NCC[NH+]1CCSCC1 ZINC000491088835 564786158 /nfs/dbraw/zinc/78/61/58/564786158.db2.gz CMKIUEGZLQRBMH-UHFFFAOYSA-N 2 1 384.615 2.650 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000499505774 564929956 /nfs/dbraw/zinc/92/99/56/564929956.db2.gz CWAYEUBIHAKGCR-KRWDZBQOSA-N 2 1 382.346 2.937 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470024117 565035630 /nfs/dbraw/zinc/03/56/30/565035630.db2.gz INHPZFVHWWVFRD-AWEZNQCLSA-N 2 1 398.345 2.525 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000470024117 565035632 /nfs/dbraw/zinc/03/56/32/565035632.db2.gz INHPZFVHWWVFRD-AWEZNQCLSA-N 2 1 398.345 2.525 20 0 GFADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000584349439 565077293 /nfs/dbraw/zinc/07/72/93/565077293.db2.gz VBZITOXPZLVCOO-SUMWQHHRSA-N 2 1 380.330 2.528 20 0 GFADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659318323 565213256 /nfs/dbraw/zinc/21/32/56/565213256.db2.gz DKKPPYQNWXEJFR-JTQLQIEISA-N 2 1 386.359 2.916 20 0 GFADMP Cc1c(Br)scc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507113 565244272 /nfs/dbraw/zinc/24/42/72/565244272.db2.gz IRBFFYKZYTVEIE-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP Cc1c(Br)scc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507113 565244274 /nfs/dbraw/zinc/24/42/74/565244274.db2.gz IRBFFYKZYTVEIE-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320810 565360458 /nfs/dbraw/zinc/36/04/58/565360458.db2.gz WPYKNWULKNWQRH-HZPDHXFCSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320810 565360463 /nfs/dbraw/zinc/36/04/63/565360463.db2.gz WPYKNWULKNWQRH-HZPDHXFCSA-N 2 1 391.339 2.776 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662336670 565361399 /nfs/dbraw/zinc/36/13/99/565361399.db2.gz HKFVBOQWNGOPJK-PWSUYJOCSA-N 2 1 384.343 2.718 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662522121 565374938 /nfs/dbraw/zinc/37/49/38/565374938.db2.gz KDGMFVJTWMVLOT-VXGBXAGGSA-N 2 1 398.370 2.966 20 0 GFADMP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)c1ccccc1 ZINC000662522584 565375157 /nfs/dbraw/zinc/37/51/57/565375157.db2.gz AUQDMSZQRLKQKO-IAGOWNOFSA-N 2 1 376.298 2.868 20 0 GFADMP C[C@H]1CC2(CN1C(=O)c1sc3c(c1Br)C[NH2+]C3)CC[NH2+]CC2 ZINC000662580944 565377879 /nfs/dbraw/zinc/37/78/79/565377879.db2.gz VFTLRPQTSRKHIC-JTQLQIEISA-N 2 1 384.343 2.718 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000643083071 565421153 /nfs/dbraw/zinc/42/11/53/565421153.db2.gz QABIMLNVDYDQMR-HOCLYGCPSA-N 2 1 385.961 2.578 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(Br)s2)CC1 ZINC000603829660 565916568 /nfs/dbraw/zinc/91/65/68/565916568.db2.gz FQZATZQKJOXGOT-UHFFFAOYSA-N 2 1 395.326 2.839 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109529 565941242 /nfs/dbraw/zinc/94/12/42/565941242.db2.gz FTHWFKPCDFUQOA-HIFRSBDPSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000631109529 565941248 /nfs/dbraw/zinc/94/12/48/565941248.db2.gz FTHWFKPCDFUQOA-HIFRSBDPSA-N 2 1 385.961 2.730 20 0 GFADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343284 566008382 /nfs/dbraw/zinc/00/83/82/566008382.db2.gz OZYQXARKVLAZLC-GJZGRUSLSA-N 2 1 375.314 2.903 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCCNCc2oc3ccccc3c2Br)C1 ZINC000655729620 566084686 /nfs/dbraw/zinc/08/46/86/566084686.db2.gz MFIDAOMGFPRWSZ-CYBMUJFWSA-N 2 1 394.313 2.872 20 0 GFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803918 566100589 /nfs/dbraw/zinc/10/05/89/566100589.db2.gz DWFXZQNDJVLDSP-HZPDHXFCSA-N 2 1 388.293 2.789 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985572 608281379 /nfs/dbraw/zinc/28/13/79/608281379.db2.gz XNFWVCPFPZXCMN-DYESRHJHSA-N 2 1 392.507 2.746 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985572 608281381 /nfs/dbraw/zinc/28/13/81/608281381.db2.gz XNFWVCPFPZXCMN-DYESRHJHSA-N 2 1 392.507 2.746 20 0 GFADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946592 660212480 /nfs/dbraw/zinc/21/24/80/660212480.db2.gz AEHFENOGIFSADK-SGMGOOAPSA-N 2 1 376.469 2.730 20 0 GFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000819129026 660247460 /nfs/dbraw/zinc/24/74/60/660247460.db2.gz XJANWJPNNFRLGC-GOSISDBHSA-N 2 1 385.346 2.962 20 0 GFADMP Brc1cccc2c(CNC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825558 660380943 /nfs/dbraw/zinc/38/09/43/660380943.db2.gz SVCDOZKQQMUJJY-CABCVRRESA-N 2 1 376.298 2.950 20 0 GFADMP Brc1cccc2c(CNC[C@H]3C[N@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825558 660380946 /nfs/dbraw/zinc/38/09/46/660380946.db2.gz SVCDOZKQQMUJJY-CABCVRRESA-N 2 1 376.298 2.950 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000834898754 660837355 /nfs/dbraw/zinc/83/73/55/660837355.db2.gz GKCKZNRPIRKARK-MGNMYUMUSA-N 2 1 397.357 2.824 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325233172 655384529 /nfs/dbraw/zinc/38/45/29/655384529.db2.gz FONHCNXMFBPLTE-BBRMVZONSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325233172 655384530 /nfs/dbraw/zinc/38/45/30/655384530.db2.gz FONHCNXMFBPLTE-BBRMVZONSA-N 2 1 398.320 2.668 20 0 GFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769333 658435152 /nfs/dbraw/zinc/43/51/52/658435152.db2.gz UERRFKDNFDPHLJ-SFHVURJKSA-N 2 1 376.298 2.749 20 0 GFADMP C[N@H+]1CC[C@]2(CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769333 658435194 /nfs/dbraw/zinc/43/51/94/658435194.db2.gz UERRFKDNFDPHLJ-SFHVURJKSA-N 2 1 376.298 2.749 20 0 GFADMP C[NH+]1CC[C@]2(CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769333 658435229 /nfs/dbraw/zinc/43/52/29/658435229.db2.gz UERRFKDNFDPHLJ-SFHVURJKSA-N 2 1 376.298 2.749 20 0 GFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769333 658435256 /nfs/dbraw/zinc/43/52/56/658435256.db2.gz UERRFKDNFDPHLJ-SFHVURJKSA-N 2 1 376.298 2.749 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863543360 662335954 /nfs/dbraw/zinc/33/59/54/662335954.db2.gz YPTRTFTXNBMXDL-MRXNPFEDSA-N 2 1 378.314 2.778 20 0 GFADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872148038 662756609 /nfs/dbraw/zinc/75/66/09/662756609.db2.gz HFEFTDFDZCQNOZ-QWRGUYRKSA-N 2 1 394.235 2.847 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872148038 662756611 /nfs/dbraw/zinc/75/66/11/662756611.db2.gz HFEFTDFDZCQNOZ-QWRGUYRKSA-N 2 1 394.235 2.847 20 0 GFADMP C[N@H+](CCCCCC[NH3+])CCS(=O)(=O)c1cccc(Br)c1 ZINC000872155882 662757250 /nfs/dbraw/zinc/75/72/50/662757250.db2.gz ZNQUBBCCUVMRDG-UHFFFAOYSA-N 2 1 377.348 2.674 20 0 GFADMP C[N@@H+](CCCCCC[NH3+])CCS(=O)(=O)c1cccc(Br)c1 ZINC000872155882 662757252 /nfs/dbraw/zinc/75/72/52/662757252.db2.gz ZNQUBBCCUVMRDG-UHFFFAOYSA-N 2 1 377.348 2.674 20 0 GFADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)c1 ZINC000877145061 662871661 /nfs/dbraw/zinc/87/16/61/662871661.db2.gz BPIHEKJKEKZUGT-HNNXBMFYSA-N 2 1 386.323 2.631 20 0 GFADMP CC(C)([NH3+])CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000891681854 663346905 /nfs/dbraw/zinc/34/69/05/663346905.db2.gz OXQWPQHLRSIOMB-UHFFFAOYSA-N 2 1 397.361 2.840 20 0 GFADMP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)CC1CC[NH+](C)CC1 ZINC000894260908 663451334 /nfs/dbraw/zinc/45/13/34/663451334.db2.gz IGZBYDBQYJNRGK-UHFFFAOYSA-N 2 1 388.375 2.791 20 0 GFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nc(Br)ccc1F ZINC000924958925 664664501 /nfs/dbraw/zinc/66/45/01/664664501.db2.gz NKDLLWNFTQMMOF-ZDUSSCGKSA-N 2 1 387.341 2.907 20 0 GFADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999497 664664915 /nfs/dbraw/zinc/66/49/15/664664915.db2.gz JDFLXSADWZPBQP-WMLDXEAASA-N 2 1 394.357 2.790 20 0 GFADMP Cn1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806471 664675031 /nfs/dbraw/zinc/67/50/31/664675031.db2.gz QFDUWUDIPQQFDE-WMLDXEAASA-N 2 1 377.286 2.528 20 0 GFADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429360 664794738 /nfs/dbraw/zinc/79/47/38/664794738.db2.gz FURYTWKNXQDHEX-VNQPRFMTSA-N 2 1 380.330 2.510 20 0 GFADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429360 664794739 /nfs/dbraw/zinc/79/47/39/664794739.db2.gz FURYTWKNXQDHEX-VNQPRFMTSA-N 2 1 380.330 2.510 20 0 GFADMP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429360 664794740 /nfs/dbraw/zinc/79/47/40/664794740.db2.gz FURYTWKNXQDHEX-VNQPRFMTSA-N 2 1 380.330 2.510 20 0 GFADMP C[C@@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429360 664794741 /nfs/dbraw/zinc/79/47/41/664794741.db2.gz FURYTWKNXQDHEX-VNQPRFMTSA-N 2 1 380.330 2.510 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827140 664924945 /nfs/dbraw/zinc/92/49/45/664924945.db2.gz OCUUASVLUUTVFR-INIZCTEOSA-N 2 1 399.276 2.900 20 0 GFADMP [NH3+]C1CCN(c2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164626078 719088056 /nfs/dbraw/zinc/08/80/56/719088056.db2.gz IDLZFBSZAIIQBH-CTNGQTDRSA-N 2 1 392.551 2.505 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(OCC3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164683275 719649803 /nfs/dbraw/zinc/64/98/03/719649803.db2.gz UYMRAIMZSQNYKT-UHFFFAOYSA-N 2 1 384.528 2.717 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(OCC3CCCC3)n2)c2c1CC[NH2+]C2 ZINC001164683275 719649813 /nfs/dbraw/zinc/64/98/13/719649813.db2.gz UYMRAIMZSQNYKT-UHFFFAOYSA-N 2 1 384.528 2.717 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816076 720164860 /nfs/dbraw/zinc/16/48/60/720164860.db2.gz KGLNPPAWRYYBCW-GGAORHGYSA-N 2 1 384.568 2.862 20 0 GFADMP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164740686 720812817 /nfs/dbraw/zinc/81/28/17/720812817.db2.gz ADDNSXPAAKQUGI-SQGPQFPESA-N 2 1 377.496 2.534 20 0 GFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3cc(N)c(C)c[nH+]3)C2)C1 ZINC001164787753 721363877 /nfs/dbraw/zinc/36/38/77/721363877.db2.gz ZUWYPCUUNLLJOP-NRFANRHFSA-N 2 1 385.512 2.696 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@@H]21 ZINC001165019650 721803441 /nfs/dbraw/zinc/80/34/41/721803441.db2.gz DKUWNWJFFNJYGF-RCZSKKKRSA-N 2 1 377.536 2.859 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cncc(Br)c1 ZINC000126876852 551333762 /nfs/dbraw/zinc/33/37/62/551333762.db2.gz UTIKQLMVPMPSMI-MRXNPFEDSA-N 2 1 398.349 2.724 20 0 GFADMP Brc1cc2c(c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)c1)OCC2 ZINC000153740811 551459474 /nfs/dbraw/zinc/45/94/74/551459474.db2.gz JQEPMDSRHXAXJW-UHFFFAOYSA-N 2 1 395.341 2.928 20 0 GFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2cncc(Br)c2)C1 ZINC000183765643 552319202 /nfs/dbraw/zinc/31/92/02/552319202.db2.gz JSPNZYTXDIFYJO-GOSISDBHSA-N 2 1 376.298 2.701 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845576 553135527 /nfs/dbraw/zinc/13/55/27/553135527.db2.gz AKTLOMXOKXDBOS-OLMNPRSZSA-N 2 1 392.341 2.971 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261970160 553163627 /nfs/dbraw/zinc/16/36/27/553163627.db2.gz YWQXSCBPFVYYCR-PBHICJAKSA-N 2 1 380.330 2.529 20 0 GFADMP Brc1ccc(-c2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000420347530 563262116 /nfs/dbraw/zinc/26/21/16/563262116.db2.gz HDXIMDMGHAVXHD-QGZVFWFLSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1ccc(-c2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000420347530 563262118 /nfs/dbraw/zinc/26/21/18/563262118.db2.gz HDXIMDMGHAVXHD-QGZVFWFLSA-N 2 1 391.313 2.584 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1=O ZINC000423102938 563355257 /nfs/dbraw/zinc/35/52/57/563355257.db2.gz FQONFFRPIFLGSH-BBRMVZONSA-N 2 1 380.330 2.759 20 0 GFADMP Fc1ccc([C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423209788 563358709 /nfs/dbraw/zinc/35/87/09/563358709.db2.gz VQFMQSRKHVGPPI-QGZVFWFLSA-N 2 1 382.277 2.765 20 0 GFADMP Brc1cccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489209 563361392 /nfs/dbraw/zinc/36/13/92/563361392.db2.gz FOQRAWICUCPNNE-ROUUACIJSA-N 2 1 383.330 2.885 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411884 563404064 /nfs/dbraw/zinc/40/40/64/563404064.db2.gz AEIFTEQGUXMPLX-ZBFHGGJFSA-N 2 1 389.297 2.664 20 0 GFADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201650 563624168 /nfs/dbraw/zinc/62/41/68/563624168.db2.gz XYOHGCIPWPDACA-RDJZCZTQSA-N 2 1 393.329 2.815 20 0 GFADMP C[NH2+]C[C@@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417891382 563891017 /nfs/dbraw/zinc/89/10/17/563891017.db2.gz OZNJAGMBYJYSMJ-CQSZACIVSA-N 2 1 397.361 2.568 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(I)cc1 ZINC000449148057 563907562 /nfs/dbraw/zinc/90/75/62/563907562.db2.gz IVJGIROQWAIOIY-MRXNPFEDSA-N 2 1 388.293 2.618 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1 ZINC000505731524 564188610 /nfs/dbraw/zinc/18/86/10/564188610.db2.gz NSQQGHOHRWHFPU-QGZVFWFLSA-N 2 1 382.346 2.937 20 0 GFADMP C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000563529288 564195000 /nfs/dbraw/zinc/19/50/00/564195000.db2.gz YHQIUSMUNNSYES-CYBMUJFWSA-N 2 1 377.710 2.526 20 0 GFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370282 564277989 /nfs/dbraw/zinc/27/79/89/564277989.db2.gz PFRSRKXGSBAERB-ROUUACIJSA-N 2 1 385.346 2.819 20 0 GFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370282 564277993 /nfs/dbraw/zinc/27/79/93/564277993.db2.gz PFRSRKXGSBAERB-ROUUACIJSA-N 2 1 385.346 2.819 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116584 564310530 /nfs/dbraw/zinc/31/05/30/564310530.db2.gz PXULMEJETGITRL-MRVWCRGKSA-N 2 1 391.737 2.915 20 0 GFADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000479272601 564434958 /nfs/dbraw/zinc/43/49/58/564434958.db2.gz RFLGICUUCAKQDL-HNNXBMFYSA-N 2 1 396.373 2.912 20 0 GFADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000513897743 564442309 /nfs/dbraw/zinc/44/23/09/564442309.db2.gz WUKFCLJEGBKYKB-UHFFFAOYSA-N 2 1 382.346 2.824 20 0 GFADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000513897743 564442312 /nfs/dbraw/zinc/44/23/12/564442312.db2.gz WUKFCLJEGBKYKB-UHFFFAOYSA-N 2 1 382.346 2.824 20 0 GFADMP COCC[NH+]1CCC([NH2+]CCc2cn3cc(Br)cc(C)c3n2)CC1 ZINC000546226043 564450571 /nfs/dbraw/zinc/45/05/71/564450571.db2.gz WYMKSYFLMMJTDE-UHFFFAOYSA-N 2 1 395.345 2.648 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000517733085 564541010 /nfs/dbraw/zinc/54/10/10/564541010.db2.gz WVBYCYJNEMHOJY-RDJZCZTQSA-N 2 1 385.346 2.899 20 0 GFADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000577512524 564735856 /nfs/dbraw/zinc/73/58/56/564735856.db2.gz BITVGACRSCOWQJ-ZDUSSCGKSA-N 2 1 384.293 2.848 20 0 GFADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1cc(F)cc(Br)c1 ZINC000459690838 564756974 /nfs/dbraw/zinc/75/69/74/564756974.db2.gz FRVIGYSGFOJUEF-CQSZACIVSA-N 2 1 385.321 2.956 20 0 GFADMP CO[C@@H](C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534733 565281396 /nfs/dbraw/zinc/28/13/96/565281396.db2.gz HSJNDLUDIUTCPT-HOCLYGCPSA-N 2 1 398.301 2.792 20 0 GFADMP CO[C@@H](CN(CCn1ccnc1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534733 565281400 /nfs/dbraw/zinc/28/14/00/565281400.db2.gz HSJNDLUDIUTCPT-HOCLYGCPSA-N 2 1 398.301 2.792 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662698562 565381697 /nfs/dbraw/zinc/38/16/97/565381697.db2.gz SBXLIQAAVNQMEM-NSHDSACASA-N 2 1 384.343 2.814 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2cc(C(C)(C)[NH3+])no2)cc1Br ZINC000662797360 565385462 /nfs/dbraw/zinc/38/54/62/565385462.db2.gz YLLUCMZETGXICA-UHFFFAOYSA-N 2 1 381.274 2.945 20 0 GFADMP CN1CCN(C(=O)CN[C@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663438154 565421610 /nfs/dbraw/zinc/42/16/10/565421610.db2.gz FVBJIPCDSRJNIG-HNNXBMFYSA-N 2 1 398.370 2.740 20 0 GFADMP C[N@H+]1CCC[C@H](CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000644669178 565489016 /nfs/dbraw/zinc/48/90/16/565489016.db2.gz HDPJXSMUNYKHJY-CQSZACIVSA-N 2 1 389.359 2.544 20 0 GFADMP Ic1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595885278 565496338 /nfs/dbraw/zinc/49/63/38/565496338.db2.gz LRTHWBGIYBYKDA-BBRMVZONSA-N 2 1 398.288 2.949 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3nccc(Br)c3C2)CC1 ZINC000623286954 565503545 /nfs/dbraw/zinc/50/35/45/565503545.db2.gz KIHDEUDVYOWNKV-UHFFFAOYSA-N 2 1 381.362 2.618 20 0 GFADMP C[NH+](C)CCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000675573696 565909535 /nfs/dbraw/zinc/90/95/35/565909535.db2.gz CPKVVOOBKDFGFR-UHFFFAOYSA-N 2 1 397.361 2.664 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351612 565922869 /nfs/dbraw/zinc/92/28/69/565922869.db2.gz KXIPBOABBJHOEU-QOKNQOGYSA-N 2 1 394.357 2.857 20 0 GFADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631042980 565935269 /nfs/dbraw/zinc/93/52/69/565935269.db2.gz YUXLCRXDNVYFBJ-GFCCVEGCSA-N 2 1 375.742 2.613 20 0 GFADMP COc1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)c(F)cc1Br ZINC000631042096 565935509 /nfs/dbraw/zinc/93/55/09/565935509.db2.gz VWCUPDNCOMDVLJ-UHFFFAOYSA-N 2 1 388.325 2.714 20 0 GFADMP Cc1ccc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)cc1Br ZINC000634990559 566188608 /nfs/dbraw/zinc/18/86/08/566188608.db2.gz RNULUISKZSCDAW-UHFFFAOYSA-N 2 1 390.329 2.589 20 0 GFADMP C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821603549 599592737 /nfs/dbraw/zinc/59/27/37/599592737.db2.gz DJCKYLKCBWSNSJ-LJQANCHMSA-N 2 1 392.507 2.699 20 0 GFADMP C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821603549 599592739 /nfs/dbraw/zinc/59/27/39/599592739.db2.gz DJCKYLKCBWSNSJ-LJQANCHMSA-N 2 1 392.507 2.699 20 0 GFADMP C[NH+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821603549 599592740 /nfs/dbraw/zinc/59/27/40/599592740.db2.gz DJCKYLKCBWSNSJ-LJQANCHMSA-N 2 1 392.507 2.699 20 0 GFADMP C[NH+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821603549 599592742 /nfs/dbraw/zinc/59/27/42/599592742.db2.gz DJCKYLKCBWSNSJ-LJQANCHMSA-N 2 1 392.507 2.699 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825860883 608697426 /nfs/dbraw/zinc/69/74/26/608697426.db2.gz ZXZZEUUDVIVNKP-IBGZPJMESA-N 2 1 392.507 2.829 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825860883 608697428 /nfs/dbraw/zinc/69/74/28/608697428.db2.gz ZXZZEUUDVIVNKP-IBGZPJMESA-N 2 1 392.507 2.829 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330797 609423919 /nfs/dbraw/zinc/42/39/19/609423919.db2.gz IOTWLBIEFCLELH-XOBRGWDASA-N 2 1 389.463 2.745 20 0 GFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916523 660211910 /nfs/dbraw/zinc/21/19/10/660211910.db2.gz GYGALLBORQVFSG-HUUCEWRRSA-N 2 1 380.432 2.609 20 0 GFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Br)ncc1F ZINC000817982365 660212968 /nfs/dbraw/zinc/21/29/68/660212968.db2.gz CTSXFMMAUWBPAQ-IYXRBSQSSA-N 2 1 385.325 2.850 20 0 GFADMP [NH3+][C@@H](CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000831351077 660708703 /nfs/dbraw/zinc/70/87/03/660708703.db2.gz COFVPCHHGUWFIL-KRWDZBQOSA-N 2 1 380.330 2.657 20 0 GFADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972733 654839135 /nfs/dbraw/zinc/83/91/35/654839135.db2.gz LXLYDVXFQHJWNH-JSGCOSHPSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972733 654839139 /nfs/dbraw/zinc/83/91/39/654839139.db2.gz LXLYDVXFQHJWNH-JSGCOSHPSA-N 2 1 386.309 2.826 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838673317 661053387 /nfs/dbraw/zinc/05/33/87/661053387.db2.gz XETDSAIAZBARJO-GDBMZVCRSA-N 2 1 379.376 2.628 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000751997983 655838262 /nfs/dbraw/zinc/83/82/62/655838262.db2.gz KFXXJIYDOOANIT-YJBOKZPZSA-N 2 1 385.346 2.915 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1SCCCS1 ZINC000841408832 661261829 /nfs/dbraw/zinc/26/18/29/661261829.db2.gz ZQAJWZNEFHBZSA-UHFFFAOYSA-N 2 1 385.643 2.837 20 0 GFADMP Cc1cc(Br)cc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000774991695 656582209 /nfs/dbraw/zinc/58/22/09/656582209.db2.gz JFLRKIWXBOAHIU-UHFFFAOYSA-N 2 1 382.346 2.790 20 0 GFADMP COc1ccc(Br)cc1CONC(=[NH2+])[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000779652393 656935898 /nfs/dbraw/zinc/93/58/98/656935898.db2.gz OVXSUSKDTRYCSY-OAHLLOKOSA-N 2 1 386.290 2.565 20 0 GFADMP COc1ccc(Br)cc1CONC(=[NH2+])[C@H]1C[N@H+](C(C)C)CCO1 ZINC000779652393 656935912 /nfs/dbraw/zinc/93/59/12/656935912.db2.gz OVXSUSKDTRYCSY-OAHLLOKOSA-N 2 1 386.290 2.565 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C(F)(F)F)nc1Cl ZINC000855345648 661987436 /nfs/dbraw/zinc/98/74/36/661987436.db2.gz DWAMHMPGAPLJNV-NSHDSACASA-N 2 1 380.842 2.756 20 0 GFADMP Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1Br ZINC000863642553 662342182 /nfs/dbraw/zinc/34/21/82/662342182.db2.gz RYIVQYYJKYQLQX-SJORKVTESA-N 2 1 394.313 2.515 20 0 GFADMP COC(=O)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1Br ZINC000876720780 662865358 /nfs/dbraw/zinc/86/53/58/662865358.db2.gz ITYXOOJWVJZUMD-UHFFFAOYSA-N 2 1 399.329 2.778 20 0 GFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1Br ZINC000877477830 662876774 /nfs/dbraw/zinc/87/67/74/662876774.db2.gz IAZJFRZHIPRYLP-CQSZACIVSA-N 2 1 399.329 2.826 20 0 GFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1Br ZINC000877477830 662876776 /nfs/dbraw/zinc/87/67/76/662876776.db2.gz IAZJFRZHIPRYLP-CQSZACIVSA-N 2 1 399.329 2.826 20 0 GFADMP COCC[N@H+](Cc1cc(Br)cnc1OC)CC1CC[NH+](C)CC1 ZINC000877663800 662881208 /nfs/dbraw/zinc/88/12/08/662881208.db2.gz ATJSHRFPZLXFIQ-UHFFFAOYSA-N 2 1 386.334 2.643 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000899746844 663700023 /nfs/dbraw/zinc/70/00/23/663700023.db2.gz MAJRJXGXPKFNGW-UHFFFAOYSA-N 2 1 384.709 2.649 20 0 GFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000903565716 663788826 /nfs/dbraw/zinc/78/88/26/663788826.db2.gz OTFWFXXCJSLFTQ-BZSNNMDCSA-N 2 1 391.309 2.793 20 0 GFADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccccc1Br ZINC000903815715 663807565 /nfs/dbraw/zinc/80/75/65/663807565.db2.gz QOBFPODRKGQUFS-UHFFFAOYSA-N 2 1 396.329 2.622 20 0 GFADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280876 664627321 /nfs/dbraw/zinc/62/73/21/664627321.db2.gz LEXRXBWSJPQGOP-DGCLKSJQSA-N 2 1 377.710 2.513 20 0 GFADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)nc12 ZINC000925648200 664673714 /nfs/dbraw/zinc/67/37/14/664673714.db2.gz QMRVPTDQXNZJGF-PASATYPHSA-N 2 1 375.314 2.534 20 0 GFADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733337 664874875 /nfs/dbraw/zinc/87/48/75/664874875.db2.gz CKTPVVWPAVKOIA-QBIMZIAESA-N 2 1 378.314 2.586 20 0 GFADMP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733337 664874876 /nfs/dbraw/zinc/87/48/76/664874876.db2.gz CKTPVVWPAVKOIA-QBIMZIAESA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733337 664874880 /nfs/dbraw/zinc/87/48/80/664874880.db2.gz CKTPVVWPAVKOIA-QBIMZIAESA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733337 664874881 /nfs/dbraw/zinc/87/48/81/664874881.db2.gz CKTPVVWPAVKOIA-QBIMZIAESA-N 2 1 378.314 2.586 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2CSC3)c2c1CC[NH2+]C2 ZINC001164685783 719615669 /nfs/dbraw/zinc/61/56/69/719615669.db2.gz VYDKZGDQJYGTQU-UHFFFAOYSA-N 2 1 378.933 2.548 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2CSC3)c2c1CC[NH2+]C2 ZINC001164685783 719615679 /nfs/dbraw/zinc/61/56/79/719615679.db2.gz VYDKZGDQJYGTQU-UHFFFAOYSA-N 2 1 378.933 2.548 20 0 GFADMP Cc1nc(C)c(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)s1 ZINC001164679747 719648111 /nfs/dbraw/zinc/64/81/11/719648111.db2.gz LMHMADVFQXYNSH-UHFFFAOYSA-N 2 1 397.552 2.889 20 0 GFADMP Cc1nc(C)c(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)s1 ZINC001164679747 719648114 /nfs/dbraw/zinc/64/81/14/719648114.db2.gz LMHMADVFQXYNSH-UHFFFAOYSA-N 2 1 397.552 2.889 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817518 720179795 /nfs/dbraw/zinc/17/97/95/720179795.db2.gz PQOQBJAGGSKSDO-REWPJTCUSA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164817518 720179801 /nfs/dbraw/zinc/17/98/01/720179801.db2.gz PQOQBJAGGSKSDO-REWPJTCUSA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164817518 720179807 /nfs/dbraw/zinc/17/98/07/720179807.db2.gz PQOQBJAGGSKSDO-REWPJTCUSA-N 2 1 384.568 2.861 20 0 GFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(NC4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164837142 720505654 /nfs/dbraw/zinc/50/56/54/720505654.db2.gz NWKRNQJJMXTSNX-NEWSRXKRSA-N 2 1 381.528 2.625 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(NC4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164837142 720505663 /nfs/dbraw/zinc/50/56/63/720505663.db2.gz NWKRNQJJMXTSNX-NEWSRXKRSA-N 2 1 381.528 2.625 20 0 GFADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001164727495 720517704 /nfs/dbraw/zinc/51/77/04/720517704.db2.gz HPRQGPAXZSMMLV-INIZCTEOSA-N 2 1 388.947 2.725 20 0 GFADMP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164903092 721561191 /nfs/dbraw/zinc/56/11/91/721561191.db2.gz AIECJTZBVNOACL-AZUAARDMSA-N 2 1 379.439 2.748 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982058 722124395 /nfs/dbraw/zinc/12/43/95/722124395.db2.gz VUMFNNHCPNPIFD-PZJWPPBQSA-N 2 1 382.508 2.991 20 0 GFADMP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCSC1 ZINC000126516383 551330979 /nfs/dbraw/zinc/33/09/79/551330979.db2.gz BOIXIRUHOXPINF-GOSISDBHSA-N 2 1 379.595 2.654 20 0 GFADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1CCSC1 ZINC000126516383 551330980 /nfs/dbraw/zinc/33/09/80/551330980.db2.gz BOIXIRUHOXPINF-GOSISDBHSA-N 2 1 379.595 2.654 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151298740 551410878 /nfs/dbraw/zinc/41/08/78/551410878.db2.gz OWIZUIMVPHJCPL-MRXNPFEDSA-N 2 1 382.291 2.950 20 0 GFADMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162669225 551611294 /nfs/dbraw/zinc/61/12/94/551611294.db2.gz DUJPEVGKUBIVGQ-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@@H]21 ZINC000248845574 553135812 /nfs/dbraw/zinc/13/58/12/553135812.db2.gz AKTLOMXOKXDBOS-JLSDUUJJSA-N 2 1 392.341 2.971 20 0 GFADMP CCS[C@@H]1CCCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000261483495 553153500 /nfs/dbraw/zinc/15/35/00/553153500.db2.gz XXVMTTGHWWSDIC-GOSISDBHSA-N 2 1 381.611 3.000 20 0 GFADMP Cc1cccc(NCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)[nH+]1 ZINC000261841362 553160694 /nfs/dbraw/zinc/16/06/94/553160694.db2.gz UZINVHMKVJSORD-QGZVFWFLSA-N 2 1 377.286 2.555 20 0 GFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885036 553161870 /nfs/dbraw/zinc/16/18/70/553161870.db2.gz ZPWKHAQOBXVNLR-WMZOPIPTSA-N 2 1 382.346 2.956 20 0 GFADMP C[C@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034350 553164480 /nfs/dbraw/zinc/16/44/80/553164480.db2.gz OJFRIODNRLYNDG-PBHICJAKSA-N 2 1 382.346 2.872 20 0 GFADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000422639396 563345377 /nfs/dbraw/zinc/34/53/77/563345377.db2.gz SRCBWCHNRAZGPF-FRRDWIJNSA-N 2 1 388.375 2.774 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486059 563245818 /nfs/dbraw/zinc/24/58/18/563245818.db2.gz VOHCDPXMWODYHX-KBAYOESNSA-N 2 1 399.377 2.905 20 0 GFADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000422639396 563345374 /nfs/dbraw/zinc/34/53/74/563345374.db2.gz SRCBWCHNRAZGPF-FRRDWIJNSA-N 2 1 388.375 2.774 20 0 GFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097945 563355584 /nfs/dbraw/zinc/35/55/84/563355584.db2.gz BTDDRUCGHMPYKV-CHWSQXEVSA-N 2 1 380.341 2.521 20 0 GFADMP C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1c[nH+]ccc1N ZINC000423156086 563356913 /nfs/dbraw/zinc/35/69/13/563356913.db2.gz MBACUEDMAPNBKK-NWDGAFQWSA-N 2 1 382.277 2.898 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2cc1Br ZINC000425230563 563413209 /nfs/dbraw/zinc/41/32/09/563413209.db2.gz CIWOORVGYCLJHH-QWHCGFSZSA-N 2 1 394.313 2.897 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Br)cc1 ZINC000323747175 563451349 /nfs/dbraw/zinc/45/13/49/563451349.db2.gz RIWMNLNJRFYIGY-YEWWUXTCSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Br)cc1 ZINC000323747175 563451353 /nfs/dbraw/zinc/45/13/53/563451353.db2.gz RIWMNLNJRFYIGY-YEWWUXTCSA-N 2 1 380.330 2.687 20 0 GFADMP CCN1CC[NH+]([C@H]2CCN(Cc3cccc(I)c3)C2)CC1 ZINC000284472255 563476514 /nfs/dbraw/zinc/47/65/14/563476514.db2.gz VXDHJDUUARBILY-KRWDZBQOSA-N 2 1 399.320 2.503 20 0 GFADMP C[C@H](c1cccc(Br)c1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378358107 563503808 /nfs/dbraw/zinc/50/38/08/563503808.db2.gz YERDQOOZCYBHDJ-DYVFJYSZSA-N 2 1 380.330 2.924 20 0 GFADMP Cc1cc(NC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)ccc1Br ZINC000391268625 563524342 /nfs/dbraw/zinc/52/43/42/563524342.db2.gz CXNYAZMHCANNGY-UHFFFAOYSA-N 2 1 384.318 2.526 20 0 GFADMP COCC(COC)[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000413468332 563693188 /nfs/dbraw/zinc/69/31/88/563693188.db2.gz BXOUCFSWXHNQBG-UHFFFAOYSA-N 2 1 394.313 2.781 20 0 GFADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057314 563717529 /nfs/dbraw/zinc/71/75/29/563717529.db2.gz RJANVBRRBFGBPP-KDOFPFPSSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057314 563717530 /nfs/dbraw/zinc/71/75/30/563717530.db2.gz RJANVBRRBFGBPP-KDOFPFPSSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759592 563752905 /nfs/dbraw/zinc/75/29/05/563752905.db2.gz FHUNRUYHZVZTGA-KGLIPLIRSA-N 2 1 378.318 2.850 20 0 GFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600969 564191969 /nfs/dbraw/zinc/19/19/69/564191969.db2.gz QAUGCQZSGCBGEL-IAOVAPTHSA-N 2 1 385.321 2.956 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449681581 564195856 /nfs/dbraw/zinc/19/58/56/564195856.db2.gz MCAGDCGOMRWKSK-WBAXXEDZSA-N 2 1 397.357 2.825 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1Br ZINC000449826284 564205035 /nfs/dbraw/zinc/20/50/35/564205035.db2.gz RNLNVUMWORVKNK-CYBMUJFWSA-N 2 1 388.375 2.999 20 0 GFADMP CCn1cc(Br)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000512361404 564398905 /nfs/dbraw/zinc/39/89/05/564398905.db2.gz BCENOIDWCYANSI-MRXNPFEDSA-N 2 1 399.377 2.759 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cncc(Br)c2)c2cccs2)CC1 ZINC000545928181 564438535 /nfs/dbraw/zinc/43/85/35/564438535.db2.gz SWJMRKZNRHKLNJ-MRXNPFEDSA-N 2 1 395.370 2.984 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000453380728 564456256 /nfs/dbraw/zinc/45/62/56/564456256.db2.gz RDWGMGHHZMZKJM-ILXVDBEPSA-N 2 1 399.373 2.927 20 0 GFADMP C[C@@H]1CC[N@@H+](CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000515669046 564484550 /nfs/dbraw/zinc/48/45/50/564484550.db2.gz USXBFVUSEDTATO-CQSZACIVSA-N 2 1 395.301 2.609 20 0 GFADMP CC[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665782 564518587 /nfs/dbraw/zinc/51/85/87/564518587.db2.gz DJNPDPTZQCEIOI-AFAVFJNCSA-N 2 1 385.961 2.772 20 0 GFADMP CC[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665782 564518588 /nfs/dbraw/zinc/51/85/88/564518588.db2.gz DJNPDPTZQCEIOI-AFAVFJNCSA-N 2 1 385.961 2.772 20 0 GFADMP CC[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649469 564518851 /nfs/dbraw/zinc/51/88/51/564518851.db2.gz FIKUOCJMVBQUDM-JDFRZJQESA-N 2 1 385.961 2.914 20 0 GFADMP CC[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649469 564518854 /nfs/dbraw/zinc/51/88/54/564518854.db2.gz FIKUOCJMVBQUDM-JDFRZJQESA-N 2 1 385.961 2.914 20 0 GFADMP OC1CC[NH+](Cc2ccccc2CNc2cc[nH+]cc2Br)CC1 ZINC000550788521 564631617 /nfs/dbraw/zinc/63/16/17/564631617.db2.gz VSCLOQZLBJDYCV-UHFFFAOYSA-N 2 1 376.298 2.835 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(OC)c1 ZINC000574757195 564687990 /nfs/dbraw/zinc/68/79/90/564687990.db2.gz SURVQNSHXLKKHZ-AEFFLSMTSA-N 2 1 399.329 2.795 20 0 GFADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529202 564742884 /nfs/dbraw/zinc/74/28/84/564742884.db2.gz UIASIPNNMCWUEG-GXTWGEPZSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529202 564742886 /nfs/dbraw/zinc/74/28/86/564742886.db2.gz UIASIPNNMCWUEG-GXTWGEPZSA-N 2 1 386.309 2.826 20 0 GFADMP CN(C)c1cc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ncc1Br ZINC000579203636 564745447 /nfs/dbraw/zinc/74/54/47/564745447.db2.gz IAQXKRMDOMKPGP-YOGCLGLASA-N 2 1 382.306 2.657 20 0 GFADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc(F)c(Br)c1 ZINC000459566109 564751433 /nfs/dbraw/zinc/75/14/33/564751433.db2.gz HCHPUDNIAFWTMY-CQSZACIVSA-N 2 1 385.321 2.956 20 0 GFADMP C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490699957 564780608 /nfs/dbraw/zinc/78/06/08/564780608.db2.gz OMWHIOVQYYGIMW-LPHOPBHVSA-N 2 1 396.373 2.786 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000581598303 564810252 /nfs/dbraw/zinc/81/02/52/564810252.db2.gz APFRURCJMJCMNS-QAPCUYQASA-N 2 1 385.961 2.578 20 0 GFADMP COCCC[NH+]1CCC([NH2+]Cc2cccc(I)c2)CC1 ZINC000556384984 564822626 /nfs/dbraw/zinc/82/26/26/564822626.db2.gz CBOWGKYSGMTYBI-UHFFFAOYSA-N 2 1 388.293 2.882 20 0 GFADMP Fc1c(Br)ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1F ZINC000530223389 564872812 /nfs/dbraw/zinc/87/28/12/564872812.db2.gz UYMPBJGHLKFKCZ-MRVWCRGKSA-N 2 1 375.257 2.974 20 0 GFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401380 564962746 /nfs/dbraw/zinc/96/27/46/564962746.db2.gz ZDBIAHYALJRZDI-ROUUACIJSA-N 2 1 383.330 2.573 20 0 GFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401380 564962747 /nfs/dbraw/zinc/96/27/47/564962747.db2.gz ZDBIAHYALJRZDI-ROUUACIJSA-N 2 1 383.330 2.573 20 0 GFADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561637 565203246 /nfs/dbraw/zinc/20/32/46/565203246.db2.gz WNBUWGBKDMPQLW-YUELXQCFSA-N 2 1 377.838 2.928 20 0 GFADMP [NH3+][C@@H](C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1Br ZINC000638878257 565215655 /nfs/dbraw/zinc/21/56/55/565215655.db2.gz ALVPLORGXNQOOG-RHSMWYFYSA-N 2 1 376.298 2.525 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617502694 565242470 /nfs/dbraw/zinc/24/24/70/565242470.db2.gz YXVRASJFYMVFIK-KSSFIOAISA-N 2 1 396.373 2.867 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2cc(Br)ccc21 ZINC000617502694 565242474 /nfs/dbraw/zinc/24/24/74/565242474.db2.gz YXVRASJFYMVFIK-KSSFIOAISA-N 2 1 396.373 2.867 20 0 GFADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662260767 565358299 /nfs/dbraw/zinc/35/82/99/565358299.db2.gz CFFRSFIFDVJQQJ-UHFFFAOYSA-N 2 1 389.297 2.560 20 0 GFADMP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1cccc2c1CC[NH2+]C2 ZINC000662260767 565358303 /nfs/dbraw/zinc/35/83/03/565358303.db2.gz CFFRSFIFDVJQQJ-UHFFFAOYSA-N 2 1 389.297 2.560 20 0 GFADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286580 565359214 /nfs/dbraw/zinc/35/92/14/565359214.db2.gz QVCUQPREZNFRSB-RCBQFDQVSA-N 2 1 384.318 2.571 20 0 GFADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286580 565359217 /nfs/dbraw/zinc/35/92/17/565359217.db2.gz QVCUQPREZNFRSB-RCBQFDQVSA-N 2 1 384.318 2.571 20 0 GFADMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387171 565364954 /nfs/dbraw/zinc/36/49/54/565364954.db2.gz IUNPPTHYADURHP-GHMZBOCLSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCC[C@@H](C)C1 ZINC000662387171 565364958 /nfs/dbraw/zinc/36/49/58/565364958.db2.gz IUNPPTHYADURHP-GHMZBOCLSA-N 2 1 386.359 2.964 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662470066 565369788 /nfs/dbraw/zinc/36/97/88/565369788.db2.gz CBXLGOIYWGVKLF-LLVKDONJSA-N 2 1 384.343 2.672 20 0 GFADMP [NH3+][C@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684959 565382522 /nfs/dbraw/zinc/38/25/22/565382522.db2.gz MDSDURZHMVPTTD-SJORKVTESA-N 2 1 390.281 2.749 20 0 GFADMP C[NH+](C)CCC[N@H+](C)CCNc1ncnc2cc(F)c(Br)cc21 ZINC000664247809 565456456 /nfs/dbraw/zinc/45/64/56/565456456.db2.gz IOSNQHUXWYLXDL-UHFFFAOYSA-N 2 1 384.297 2.827 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644151582 565461889 /nfs/dbraw/zinc/46/18/89/565461889.db2.gz ZACWBAFEHGAJPM-LBPRGKRZSA-N 2 1 376.245 2.694 20 0 GFADMP C[C@@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292220 565495972 /nfs/dbraw/zinc/49/59/72/565495972.db2.gz WEKBIIWUJCGTQX-JDNHERCYSA-N 2 1 395.326 2.976 20 0 GFADMP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623522151 565517097 /nfs/dbraw/zinc/51/70/97/565517097.db2.gz ZAZGYRUAHRZGTB-LBPRGKRZSA-N 2 1 394.368 2.734 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623522151 565517100 /nfs/dbraw/zinc/51/71/00/565517100.db2.gz ZAZGYRUAHRZGTB-LBPRGKRZSA-N 2 1 394.368 2.734 20 0 GFADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000623888617 565534315 /nfs/dbraw/zinc/53/43/15/565534315.db2.gz NHLATHLZDJAWRU-LSDHHAIUSA-N 2 1 382.346 2.996 20 0 GFADMP Cc1c(Br)ccnc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000667168100 565574814 /nfs/dbraw/zinc/57/48/14/565574814.db2.gz VVROQBIAFHVEPF-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1c(Br)ccnc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000667168100 565574816 /nfs/dbraw/zinc/57/48/16/565574816.db2.gz VVROQBIAFHVEPF-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP C[N@H+]1CC[C@]2(CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446875 565631042 /nfs/dbraw/zinc/63/10/42/565631042.db2.gz WHUOKSOEGDEOGB-AEFFLSMTSA-N 2 1 378.314 2.730 20 0 GFADMP Cc1c(Br)cncc1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000668166978 565631116 /nfs/dbraw/zinc/63/11/16/565631116.db2.gz OHNOXLUQURFLPC-JWTNVVGKSA-N 2 1 393.373 2.895 20 0 GFADMP Cc1cc(Br)cn2c(C[NH2+]CCCN3CCC[N@H+](C)CC3)cnc12 ZINC000680119391 566063624 /nfs/dbraw/zinc/06/36/24/566063624.db2.gz DCZCOHIRHRRXGK-UHFFFAOYSA-N 2 1 394.361 2.522 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]1 ZINC000737240050 598674700 /nfs/dbraw/zinc/67/47/00/598674700.db2.gz HQDUCTGVVLVCMC-GOSISDBHSA-N 2 1 377.496 2.855 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]1 ZINC000737240050 598674701 /nfs/dbraw/zinc/67/47/01/598674701.db2.gz HQDUCTGVVLVCMC-GOSISDBHSA-N 2 1 377.496 2.855 20 0 GFADMP COc1cc([C@H](C)[NH2+][C@H](CN)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980427 660212720 /nfs/dbraw/zinc/21/27/20/660212720.db2.gz ASXBRJKVABYGCO-SMDDNHRTSA-N 2 1 376.469 2.860 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000824826553 660403143 /nfs/dbraw/zinc/40/31/43/660403143.db2.gz KSBPJGWDFDRADC-NSHDSACASA-N 2 1 380.842 2.756 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ncc(C(F)(F)F)cc1Cl ZINC000824826553 660403147 /nfs/dbraw/zinc/40/31/47/660403147.db2.gz KSBPJGWDFDRADC-NSHDSACASA-N 2 1 380.842 2.756 20 0 GFADMP C[C@H]1C[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127071590 654824121 /nfs/dbraw/zinc/82/41/21/654824121.db2.gz JXDNFXDGDNROFQ-JKSUJKDBSA-N 2 1 385.599 2.538 20 0 GFADMP C[C@@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021400 654839731 /nfs/dbraw/zinc/83/97/31/654839731.db2.gz JNOWXLLDUFFLLP-OLZOCXBDSA-N 2 1 386.309 2.826 20 0 GFADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000120719999 655343189 /nfs/dbraw/zinc/34/31/89/655343189.db2.gz FSBTZVPTSBMGEQ-SFHVURJKSA-N 2 1 383.330 2.527 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978596 655363812 /nfs/dbraw/zinc/36/38/12/655363812.db2.gz BNDYUKSJDCWEHX-SJKOYZFVSA-N 2 1 379.302 2.580 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580075321 655508056 /nfs/dbraw/zinc/50/80/56/655508056.db2.gz DTPWRMFBLJRCML-OIISXLGYSA-N 2 1 394.357 2.727 20 0 GFADMP CCc1ccc(C[NH+]2CCN(C(=S)NC[C@@H]3CCC[N@H+]3CC)CC2)s1 ZINC000737453332 655672435 /nfs/dbraw/zinc/67/24/35/655672435.db2.gz UTSFFIKHIPBVQW-INIZCTEOSA-N 2 1 380.627 2.787 20 0 GFADMP CCc1ccc(C[NH+]2CCN(C(=S)NC[C@@H]3CCC[N@@H+]3CC)CC2)s1 ZINC000737453332 655672438 /nfs/dbraw/zinc/67/24/38/655672438.db2.gz UTSFFIKHIPBVQW-INIZCTEOSA-N 2 1 380.627 2.787 20 0 GFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775391017 656636222 /nfs/dbraw/zinc/63/62/22/656636222.db2.gz BMTFIFZCFLVMGN-OMZCGLGVSA-N 2 1 378.607 2.839 20 0 GFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000775391017 656636232 /nfs/dbraw/zinc/63/62/32/656636232.db2.gz BMTFIFZCFLVMGN-OMZCGLGVSA-N 2 1 378.607 2.839 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(F)(F)Br)CC2)CC1 ZINC000848080328 661623917 /nfs/dbraw/zinc/62/39/17/661623917.db2.gz IKQMJFKFBZBAKK-UHFFFAOYSA-N 2 1 396.320 2.629 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000872148960 662756786 /nfs/dbraw/zinc/75/67/86/662756786.db2.gz LTYMRYAIBGNWLF-ZWNOBZJWSA-N 2 1 394.235 2.847 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877040476 662870014 /nfs/dbraw/zinc/87/00/14/662870014.db2.gz DAZSKAFZQUBSMB-LBPRGKRZSA-N 2 1 376.726 2.824 20 0 GFADMP O[C@@H](CN1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc(Br)no1 ZINC000878528255 662898140 /nfs/dbraw/zinc/89/81/40/662898140.db2.gz MCBOXERZBPQYIV-AWEZNQCLSA-N 2 1 395.301 2.883 20 0 GFADMP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000878799369 662905986 /nfs/dbraw/zinc/90/59/86/662905986.db2.gz IRXWRBFSPOMKJD-UHFFFAOYSA-N 2 1 380.330 2.628 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883377307 663054436 /nfs/dbraw/zinc/05/44/36/663054436.db2.gz DQCQBMFTMBGSSZ-ZOBUZTSGSA-N 2 1 378.314 2.919 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883377307 663054438 /nfs/dbraw/zinc/05/44/38/663054438.db2.gz DQCQBMFTMBGSSZ-ZOBUZTSGSA-N 2 1 378.314 2.919 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C12CC[NH+](CC1)C2 ZINC000901083521 663730274 /nfs/dbraw/zinc/73/02/74/663730274.db2.gz VRKBODVCEVKDCK-UHFFFAOYSA-N 2 1 392.341 2.626 20 0 GFADMP C[C@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1nc3ccccc3s1)CC[NH2+]CC2 ZINC000903763428 663806150 /nfs/dbraw/zinc/80/61/50/663806150.db2.gz JSLQLXTZHDOAMS-AWEZNQCLSA-N 2 1 379.551 2.534 20 0 GFADMP C[C@H]1CC2(C[N@H+]1CCS(=O)(=O)c1nc3ccccc3s1)CC[NH2+]CC2 ZINC000903763428 663806151 /nfs/dbraw/zinc/80/61/51/663806151.db2.gz JSLQLXTZHDOAMS-AWEZNQCLSA-N 2 1 379.551 2.534 20 0 GFADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890311 663810057 /nfs/dbraw/zinc/81/00/57/663810057.db2.gz BXXVOAWVHOHNOC-INIZCTEOSA-N 2 1 379.346 2.783 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091021 663852183 /nfs/dbraw/zinc/85/21/83/663852183.db2.gz XDADFGCNXXWGGQ-IAGOWNOFSA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091021 663852187 /nfs/dbraw/zinc/85/21/87/663852187.db2.gz XDADFGCNXXWGGQ-IAGOWNOFSA-N 2 1 388.339 2.559 20 0 GFADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@H]1C(C)C ZINC000922392721 664599151 /nfs/dbraw/zinc/59/91/51/664599151.db2.gz GQGKDUIGZQZEMZ-CZPYZCIJSA-N 2 1 388.375 2.865 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@H]1C(C)C ZINC000922392721 664599153 /nfs/dbraw/zinc/59/91/53/664599153.db2.gz GQGKDUIGZQZEMZ-CZPYZCIJSA-N 2 1 388.375 2.865 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500490 664631327 /nfs/dbraw/zinc/63/13/27/664631327.db2.gz RLOPHSRDTSOWAY-IIAWOOMASA-N 2 1 382.346 2.713 20 0 GFADMP CC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000579827055 677673607 /nfs/dbraw/zinc/67/36/07/677673607.db2.gz FDVQFMQFOJBWTI-AWEZNQCLSA-N 2 1 391.737 2.916 20 0 GFADMP CCc1c(Cl)nnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1CC ZINC001164681987 719623326 /nfs/dbraw/zinc/62/33/26/719623326.db2.gz KQGVLYZANXDTNQ-UHFFFAOYSA-N 2 1 376.936 2.926 20 0 GFADMP CCc1c(Cl)nnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1CC ZINC001164681987 719623339 /nfs/dbraw/zinc/62/33/39/719623339.db2.gz KQGVLYZANXDTNQ-UHFFFAOYSA-N 2 1 376.936 2.926 20 0 GFADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834439 720504976 /nfs/dbraw/zinc/50/49/76/720504976.db2.gz GMRFXGLBOJTXGJ-HSALFYBXSA-N 2 1 397.571 2.815 20 0 GFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4C)CC[C@@H]21 ZINC001164832817 720517701 /nfs/dbraw/zinc/51/77/01/720517701.db2.gz BLMXYNJHEWLPCI-LNLFQRSKSA-N 2 1 379.512 2.543 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3[nH+]cnc4c3ccn4C)CC[C@@H]21 ZINC001164832817 720517705 /nfs/dbraw/zinc/51/77/05/720517705.db2.gz BLMXYNJHEWLPCI-LNLFQRSKSA-N 2 1 379.512 2.543 20 0 GFADMP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164740685 720812893 /nfs/dbraw/zinc/81/28/93/720812893.db2.gz ADDNSXPAAKQUGI-MBOZVWFJSA-N 2 1 377.496 2.534 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164738009 720824001 /nfs/dbraw/zinc/82/40/01/720824001.db2.gz DIGPCEOZLWCVGH-URVUXULASA-N 2 1 392.551 2.931 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164738009 720824004 /nfs/dbraw/zinc/82/40/04/720824004.db2.gz DIGPCEOZLWCVGH-URVUXULASA-N 2 1 392.551 2.931 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773892 721182843 /nfs/dbraw/zinc/18/28/43/721182843.db2.gz XXPVLMVXNIQODL-ROUUACIJSA-N 2 1 379.512 2.704 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@H]2C1 ZINC001164773892 721182850 /nfs/dbraw/zinc/18/28/50/721182850.db2.gz XXPVLMVXNIQODL-ROUUACIJSA-N 2 1 379.512 2.704 20 0 GFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164791725 721465144 /nfs/dbraw/zinc/46/51/44/721465144.db2.gz XZUYWCFSAMKFQS-IBGZPJMESA-N 2 1 388.556 2.706 20 0 GFADMP CCOc1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164964225 722055591 /nfs/dbraw/zinc/05/55/91/722055591.db2.gz TVDMDGOXBJIHQX-UHFFFAOYSA-N 2 1 382.508 2.994 20 0 GFADMP Cc1cnc(N2CCC[C@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1 ZINC001164998492 722214044 /nfs/dbraw/zinc/21/40/44/722214044.db2.gz WBORWSMZFVYLCO-QFIPXVFZSA-N 2 1 381.499 2.856 20 0 GFADMP O[C@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151299156 551410898 /nfs/dbraw/zinc/41/08/98/551410898.db2.gz IEMGAEBFRYQSPN-INIZCTEOSA-N 2 1 382.291 2.950 20 0 GFADMP CC(C)[NH+](CCO)Cc1ccc(Br)cc1C[N@@H+](CCO)C(C)C ZINC000192070858 552548745 /nfs/dbraw/zinc/54/87/45/552548745.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 2 1 387.362 2.855 20 0 GFADMP CC(C)[NH+](CCO)Cc1cc(Br)ccc1C[N@H+](CCO)C(C)C ZINC000192070858 552548742 /nfs/dbraw/zinc/54/87/42/552548742.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 2 1 387.362 2.855 20 0 GFADMP CC(C)[NH+](CCO)Cc1ccc(Br)cc1C[N@H+](CCO)C(C)C ZINC000192070858 552548743 /nfs/dbraw/zinc/54/87/43/552548743.db2.gz DSOZXTXVBJGCQJ-UHFFFAOYSA-N 2 1 387.362 2.855 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000247460092 553122858 /nfs/dbraw/zinc/12/28/58/553122858.db2.gz QSQNEQOSYWHZCH-TZMCWYRMSA-N 2 1 391.737 2.726 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000247460092 553122861 /nfs/dbraw/zinc/12/28/61/553122861.db2.gz QSQNEQOSYWHZCH-TZMCWYRMSA-N 2 1 391.737 2.726 20 0 GFADMP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607067 553154109 /nfs/dbraw/zinc/15/41/09/553154109.db2.gz CWKCNXHNYVTBLH-FUHWJXTLSA-N 2 1 394.357 2.838 20 0 GFADMP CCC[N@H+](CC(=O)N(C)Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000261706312 553156451 /nfs/dbraw/zinc/15/64/51/553156451.db2.gz KLDQLCUTGBBJIF-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP CCC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)C1CC[NH2+]CC1 ZINC000261706312 553156454 /nfs/dbraw/zinc/15/64/54/553156454.db2.gz KLDQLCUTGBBJIF-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261755501 553158091 /nfs/dbraw/zinc/15/80/91/553158091.db2.gz CMCDNTRFSAIDMQ-TZMCWYRMSA-N 2 1 375.460 2.847 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261755501 553158094 /nfs/dbraw/zinc/15/80/94/553158094.db2.gz CMCDNTRFSAIDMQ-TZMCWYRMSA-N 2 1 375.460 2.847 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261791954 553159378 /nfs/dbraw/zinc/15/93/78/553159378.db2.gz ZBDGVEBKGIRJAJ-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261791954 553159379 /nfs/dbraw/zinc/15/93/79/553159379.db2.gz ZBDGVEBKGIRJAJ-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885028 553161894 /nfs/dbraw/zinc/16/18/94/553161894.db2.gz ZPWKHAQOBXVNLR-AEFFLSMTSA-N 2 1 382.346 2.956 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486061 563245731 /nfs/dbraw/zinc/24/57/31/563245731.db2.gz VOHCDPXMWODYHX-NXHRZFHOSA-N 2 1 399.377 2.905 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165757 563357716 /nfs/dbraw/zinc/35/77/16/563357716.db2.gz UVHDXTKIMWSKIM-JLJPHGGASA-N 2 1 385.346 2.729 20 0 GFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278700 563359688 /nfs/dbraw/zinc/35/96/88/563359688.db2.gz QFKUFNXFMOSYAF-PKFCDNJMSA-N 2 1 380.341 2.809 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncc(Br)cn1 ZINC000374199698 563364739 /nfs/dbraw/zinc/36/47/39/563364739.db2.gz KTTRYIQDTGBTHH-UHFFFAOYSA-N 2 1 396.377 2.872 20 0 GFADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000395161367 563530568 /nfs/dbraw/zinc/53/05/68/563530568.db2.gz UGXXHCXKQISJBT-YJBOKZPZSA-N 2 1 394.357 2.838 20 0 GFADMP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430592822 563546119 /nfs/dbraw/zinc/54/61/19/563546119.db2.gz IBUKHGCTXSQSIO-CYBMUJFWSA-N 2 1 384.318 2.606 20 0 GFADMP O=C([C@@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430607370 563546510 /nfs/dbraw/zinc/54/65/10/563546510.db2.gz YKNOYRQHUNXEKK-CQSZACIVSA-N 2 1 386.323 2.516 20 0 GFADMP O=C([C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000430637406 563546620 /nfs/dbraw/zinc/54/66/20/563546620.db2.gz BCCKLSFTGHOTGO-AWEZNQCLSA-N 2 1 386.323 2.516 20 0 GFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370684 563730105 /nfs/dbraw/zinc/73/01/05/563730105.db2.gz VRHWPSUVPRFPHW-DOTOQJQBSA-N 2 1 387.977 2.978 20 0 GFADMP Brc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc2c1OCCO2 ZINC000414879608 563753865 /nfs/dbraw/zinc/75/38/65/563753865.db2.gz PFBVQDZKUNSNOR-UHFFFAOYSA-N 2 1 392.297 2.885 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414962564 563755322 /nfs/dbraw/zinc/75/53/22/563755322.db2.gz ZTTLZAPLMGQUCO-UKRRQHHQSA-N 2 1 399.329 2.930 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886432 563858588 /nfs/dbraw/zinc/85/85/88/563858588.db2.gz OPEPUTLTXSOYKS-HYVNUMGLSA-N 2 1 385.350 2.515 20 0 GFADMP C[NH2+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418177535 563900708 /nfs/dbraw/zinc/90/07/08/563900708.db2.gz XWJJUZSCFSCSHR-AWEZNQCLSA-N 2 1 380.842 2.784 20 0 GFADMP C[NH2+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418177535 563900709 /nfs/dbraw/zinc/90/07/09/563900709.db2.gz XWJJUZSCFSCSHR-AWEZNQCLSA-N 2 1 380.842 2.784 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(I)cc2)CCCO1 ZINC000449281086 564178897 /nfs/dbraw/zinc/17/88/97/564178897.db2.gz CDHNPHXWTGNLTG-AWEZNQCLSA-N 2 1 388.293 2.882 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000449597165 564190590 /nfs/dbraw/zinc/19/05/90/564190590.db2.gz DFMAITUSRKIQTN-KYJSFNMBSA-N 2 1 399.373 2.929 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000449604687 564192009 /nfs/dbraw/zinc/19/20/09/564192009.db2.gz XYCMIYLPPJTABC-BBWFWOEESA-N 2 1 397.357 2.825 20 0 GFADMP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000566192880 564315395 /nfs/dbraw/zinc/31/53/95/564315395.db2.gz RWZVKLVJVKSUPC-ZIAGYGMSSA-N 2 1 397.361 2.839 20 0 GFADMP CCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1Br ZINC000513892531 564441930 /nfs/dbraw/zinc/44/19/30/564441930.db2.gz ATEMPBQBEBDANQ-UHFFFAOYSA-N 2 1 382.346 2.825 20 0 GFADMP CCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1ccccc1Br ZINC000513892531 564441932 /nfs/dbraw/zinc/44/19/32/564441932.db2.gz ATEMPBQBEBDANQ-UHFFFAOYSA-N 2 1 382.346 2.825 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccc(Br)cc3)CCCC2)CC1 ZINC000514073686 564445453 /nfs/dbraw/zinc/44/54/53/564445453.db2.gz BEKNQJXIMDLNOM-UHFFFAOYSA-N 2 1 394.357 2.972 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000453387116 564456321 /nfs/dbraw/zinc/45/63/21/564456321.db2.gz WBTCXEXDUNJOIN-CWRNSKLLSA-N 2 1 385.346 2.681 20 0 GFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850025 564480977 /nfs/dbraw/zinc/48/09/77/564480977.db2.gz BVZCMTWVDSZPSZ-MAUKXSAKSA-N 2 1 387.977 2.978 20 0 GFADMP CC[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649468 564518636 /nfs/dbraw/zinc/51/86/36/564518636.db2.gz FIKUOCJMVBQUDM-IFIJOSMWSA-N 2 1 385.961 2.914 20 0 GFADMP CC[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649468 564518638 /nfs/dbraw/zinc/51/86/38/564518638.db2.gz FIKUOCJMVBQUDM-IFIJOSMWSA-N 2 1 385.961 2.914 20 0 GFADMP C[C@H](C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000549165313 564586846 /nfs/dbraw/zinc/58/68/46/564586846.db2.gz KKADCIIUXLZYEY-CQSZACIVSA-N 2 1 388.339 2.857 20 0 GFADMP C[C@H](C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000549165313 564586849 /nfs/dbraw/zinc/58/68/49/564586849.db2.gz KKADCIIUXLZYEY-CQSZACIVSA-N 2 1 388.339 2.857 20 0 GFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527654936 564752679 /nfs/dbraw/zinc/75/26/79/564752679.db2.gz XHJHCPODGHVASI-UHFFFAOYSA-N 2 1 389.769 2.861 20 0 GFADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714895 564771085 /nfs/dbraw/zinc/77/10/85/564771085.db2.gz NFDWNJZJSVDECK-JKSUJKDBSA-N 2 1 384.351 2.974 20 0 GFADMP Fc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219933 564872922 /nfs/dbraw/zinc/87/29/22/564872922.db2.gz LLINAJXURNZGET-HFBAOOFYSA-N 2 1 375.257 2.974 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381813 564908820 /nfs/dbraw/zinc/90/88/20/564908820.db2.gz BGARLSIFCAOAGX-XIRDDKMYSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381813 564908824 /nfs/dbraw/zinc/90/88/24/564908824.db2.gz BGARLSIFCAOAGX-XIRDDKMYSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381813 564908829 /nfs/dbraw/zinc/90/88/29/564908829.db2.gz BGARLSIFCAOAGX-XIRDDKMYSA-N 2 1 385.346 2.993 20 0 GFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531174 564964667 /nfs/dbraw/zinc/96/46/67/564964667.db2.gz QZCPVAGAQVIQIS-XJKSGUPXSA-N 2 1 393.329 2.619 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531174 564964668 /nfs/dbraw/zinc/96/46/68/564964668.db2.gz QZCPVAGAQVIQIS-XJKSGUPXSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531174 564964670 /nfs/dbraw/zinc/96/46/70/564964670.db2.gz QZCPVAGAQVIQIS-XJKSGUPXSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531174 564964671 /nfs/dbraw/zinc/96/46/71/564964671.db2.gz QZCPVAGAQVIQIS-XJKSGUPXSA-N 2 1 393.329 2.619 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636160569 565094264 /nfs/dbraw/zinc/09/42/64/565094264.db2.gz FSDXHUHRNLTBDB-JTQLQIEISA-N 2 1 379.307 2.717 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(Cl)c(N)c1Cl ZINC000636160569 565094268 /nfs/dbraw/zinc/09/42/68/565094268.db2.gz FSDXHUHRNLTBDB-JTQLQIEISA-N 2 1 379.307 2.717 20 0 GFADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1Cl ZINC000590300468 565182879 /nfs/dbraw/zinc/18/28/79/565182879.db2.gz VFPCMLMDHLVHJP-KRWDZBQOSA-N 2 1 387.977 2.518 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1Cl ZINC000590300468 565182880 /nfs/dbraw/zinc/18/28/80/565182880.db2.gz VFPCMLMDHLVHJP-KRWDZBQOSA-N 2 1 387.977 2.518 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000617504034 565243031 /nfs/dbraw/zinc/24/30/31/565243031.db2.gz FXGVXAIWNBPLTH-AWEZNQCLSA-N 2 1 380.583 2.802 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1csc(-c2cccs2)n1 ZINC000617504034 565243033 /nfs/dbraw/zinc/24/30/33/565243033.db2.gz FXGVXAIWNBPLTH-AWEZNQCLSA-N 2 1 380.583 2.802 20 0 GFADMP C[C@H](c1cccc(Br)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641134808 565350095 /nfs/dbraw/zinc/35/00/95/565350095.db2.gz OZJLIWWHUSGSCX-CYBMUJFWSA-N 2 1 378.318 2.616 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477969 565371009 /nfs/dbraw/zinc/37/10/09/565371009.db2.gz KOHCBDPKHVJSRJ-PBHICJAKSA-N 2 1 380.330 2.783 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587014 565378316 /nfs/dbraw/zinc/37/83/16/565378316.db2.gz UERRJCNODDCIFZ-WMLDXEAASA-N 2 1 380.330 2.687 20 0 GFADMP C[N@H+]1CC[C@@]2(CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446877 565630948 /nfs/dbraw/zinc/63/09/48/565630948.db2.gz WHUOKSOEGDEOGB-FUHWJXTLSA-N 2 1 378.314 2.730 20 0 GFADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000671099093 565752082 /nfs/dbraw/zinc/75/20/82/565752082.db2.gz ODUAOFFRFANIEN-OWCLPIDISA-N 2 1 384.362 2.957 20 0 GFADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000652354564 565924451 /nfs/dbraw/zinc/92/44/51/565924451.db2.gz BWWIAMZAHVIGKC-IUODEOHRSA-N 2 1 388.375 2.918 20 0 GFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000652354564 565924455 /nfs/dbraw/zinc/92/44/55/565924455.db2.gz BWWIAMZAHVIGKC-IUODEOHRSA-N 2 1 388.375 2.918 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109532 565941111 /nfs/dbraw/zinc/94/11/11/565941111.db2.gz FTHWFKPCDFUQOA-UKRRQHHQSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000631109532 565941117 /nfs/dbraw/zinc/94/11/17/565941117.db2.gz FTHWFKPCDFUQOA-UKRRQHHQSA-N 2 1 385.961 2.730 20 0 GFADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930749 566097173 /nfs/dbraw/zinc/09/71/73/566097173.db2.gz UBARLQKNQWZNEU-ZIAGYGMSSA-N 2 1 380.842 2.912 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736453522 598916969 /nfs/dbraw/zinc/91/69/69/598916969.db2.gz PIOPRAYAAGSZLX-UHFFFAOYSA-N 2 1 399.543 2.639 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCC(OCC[NH+](C)C)CC3)c2c1 ZINC000822195131 606163743 /nfs/dbraw/zinc/16/37/43/606163743.db2.gz IFORBKKTHTUQCP-UHFFFAOYSA-N 2 1 395.511 2.579 20 0 GFADMP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000826521750 608136074 /nfs/dbraw/zinc/13/60/74/608136074.db2.gz XOWZYISUVOZTKL-SZMVWBNQSA-N 2 1 380.521 2.928 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000826168655 608364536 /nfs/dbraw/zinc/36/45/36/608364536.db2.gz UKJGNCRKZWGUPH-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000826168655 608364539 /nfs/dbraw/zinc/36/45/39/608364539.db2.gz UKJGNCRKZWGUPH-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825860570 608698815 /nfs/dbraw/zinc/69/88/15/608698815.db2.gz RWESNNWFBKOCNC-GOSISDBHSA-N 2 1 392.507 2.829 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825860570 608698816 /nfs/dbraw/zinc/69/88/16/608698816.db2.gz RWESNNWFBKOCNC-GOSISDBHSA-N 2 1 392.507 2.829 20 0 GFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824936931 609335602 /nfs/dbraw/zinc/33/56/02/609335602.db2.gz NKNNUNAPTXMAAL-INIZCTEOSA-N 2 1 394.527 2.621 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824936931 609335603 /nfs/dbraw/zinc/33/56/03/609335603.db2.gz NKNNUNAPTXMAAL-INIZCTEOSA-N 2 1 394.527 2.621 20 0 GFADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000828965455 660577161 /nfs/dbraw/zinc/57/71/61/660577161.db2.gz LQPHVZYBAHEWII-KRWDZBQOSA-N 2 1 379.302 2.759 20 0 GFADMP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)NCc1ccc(Cl)s1 ZINC000174238466 655194716 /nfs/dbraw/zinc/19/47/16/655194716.db2.gz ZBKHZOOOQUHLLG-UHFFFAOYSA-N 2 1 385.961 2.595 20 0 GFADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCSc2ccc(Br)cc21 ZINC000262006733 655443396 /nfs/dbraw/zinc/44/33/96/655443396.db2.gz FCWWGEZCILESAI-HNNXBMFYSA-N 2 1 398.370 2.740 20 0 GFADMP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000774983526 656580259 /nfs/dbraw/zinc/58/02/59/656580259.db2.gz OGIKDUGTSLHSMY-KRWDZBQOSA-N 2 1 382.346 2.790 20 0 GFADMP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000774983526 656580274 /nfs/dbraw/zinc/58/02/74/656580274.db2.gz OGIKDUGTSLHSMY-KRWDZBQOSA-N 2 1 382.346 2.790 20 0 GFADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000779649046 656935590 /nfs/dbraw/zinc/93/55/90/656935590.db2.gz GYDPCJWMRUZPGR-AWEZNQCLSA-N 2 1 389.283 2.540 20 0 GFADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000779649046 656935594 /nfs/dbraw/zinc/93/55/94/656935594.db2.gz GYDPCJWMRUZPGR-AWEZNQCLSA-N 2 1 389.283 2.540 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844903155 661448914 /nfs/dbraw/zinc/44/89/14/661448914.db2.gz TYEWLDGIBKRNEJ-LOWVWBTDSA-N 2 1 380.842 2.811 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844903155 661448917 /nfs/dbraw/zinc/44/89/17/661448917.db2.gz TYEWLDGIBKRNEJ-LOWVWBTDSA-N 2 1 380.842 2.811 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccc(Br)nc3)CC2)CC1 ZINC000847587076 661599807 /nfs/dbraw/zinc/59/98/07/661599807.db2.gz BXNZMAMPPMJVKG-UHFFFAOYSA-N 2 1 395.345 2.979 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000872152202 662757001 /nfs/dbraw/zinc/75/70/01/662757001.db2.gz OYYFSJPZKBUTPM-GXFFZTMASA-N 2 1 394.235 2.847 20 0 GFADMP Cc1ccc([C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000873210860 662803948 /nfs/dbraw/zinc/80/39/48/662803948.db2.gz QUDMQFUMTIEWKU-AUUYWEPGSA-N 2 1 378.563 2.966 20 0 GFADMP CCOP(=O)(CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)OCC ZINC000876697666 662864968 /nfs/dbraw/zinc/86/49/68/662864968.db2.gz WKGFWUZEHYSUNH-SFHVURJKSA-N 2 1 375.494 2.745 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000878445421 662896678 /nfs/dbraw/zinc/89/66/78/662896678.db2.gz GPOOBPROSLOOSE-FVQBIDKESA-N 2 1 394.313 2.971 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000878445421 662896679 /nfs/dbraw/zinc/89/66/79/662896679.db2.gz GPOOBPROSLOOSE-FVQBIDKESA-N 2 1 394.313 2.971 20 0 GFADMP C[N@@H+]1CCCN(CCC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000882985123 663046029 /nfs/dbraw/zinc/04/60/29/663046029.db2.gz IHBZBRXYIYOZPT-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000882985123 663046032 /nfs/dbraw/zinc/04/60/32/663046032.db2.gz IHBZBRXYIYOZPT-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP CCn1c(Br)c(Br)nc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000921968953 664579548 /nfs/dbraw/zinc/57/95/48/664579548.db2.gz PXLAAFDKHCBDNY-UHFFFAOYSA-N 2 1 392.139 2.780 20 0 GFADMP CCn1c(Br)c(Br)nc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000921968953 664579550 /nfs/dbraw/zinc/57/95/50/664579550.db2.gz PXLAAFDKHCBDNY-UHFFFAOYSA-N 2 1 392.139 2.780 20 0 GFADMP C[N@@H+](C[C@H](O)COc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000923279577 664627282 /nfs/dbraw/zinc/62/72/82/664627282.db2.gz QIIZLNSGICHNET-ZDUSSCGKSA-N 2 1 377.710 2.526 20 0 GFADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283902 664627415 /nfs/dbraw/zinc/62/74/15/664627415.db2.gz ZFMUZAUWQGHCRU-GXTWGEPZSA-N 2 1 391.737 2.774 20 0 GFADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283902 664627417 /nfs/dbraw/zinc/62/74/17/664627417.db2.gz ZFMUZAUWQGHCRU-GXTWGEPZSA-N 2 1 391.737 2.774 20 0 GFADMP Cn1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806473 664675107 /nfs/dbraw/zinc/67/51/07/664675107.db2.gz QFDUWUDIPQQFDE-YOEHRIQHSA-N 2 1 377.286 2.528 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442234 664795121 /nfs/dbraw/zinc/79/51/21/664795121.db2.gz ZGEZNOXZWZJCTA-JKIFEVAISA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442234 664795122 /nfs/dbraw/zinc/79/51/22/664795122.db2.gz ZGEZNOXZWZJCTA-JKIFEVAISA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442234 664795123 /nfs/dbraw/zinc/79/51/23/664795123.db2.gz ZGEZNOXZWZJCTA-JKIFEVAISA-N 2 1 378.314 2.586 20 0 GFADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccccn2)n1 ZINC001164679780 719638748 /nfs/dbraw/zinc/63/87/48/719638748.db2.gz MVDGBPGPPBCZSL-UHFFFAOYSA-N 2 1 377.496 2.519 20 0 GFADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccccn2)n1 ZINC001164679780 719638754 /nfs/dbraw/zinc/63/87/54/719638754.db2.gz MVDGBPGPPBCZSL-UHFFFAOYSA-N 2 1 377.496 2.519 20 0 GFADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(I)c1OC ZINC000068840035 551193620 /nfs/dbraw/zinc/19/36/20/551193620.db2.gz QEZOFTKCJPZOGT-NSHDSACASA-N 2 1 392.281 2.738 20 0 GFADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2csc(-c3cccs3)n2)CC1 ZINC000171658345 551660268 /nfs/dbraw/zinc/66/02/68/551660268.db2.gz RXPWDFHUFODDRH-UHFFFAOYSA-N 2 1 378.567 2.761 20 0 GFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234716 553104646 /nfs/dbraw/zinc/10/46/46/553104646.db2.gz QSIYXVSDEJQCRO-DOTOQJQBSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234716 553104647 /nfs/dbraw/zinc/10/46/47/553104647.db2.gz QSIYXVSDEJQCRO-DOTOQJQBSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234716 553104648 /nfs/dbraw/zinc/10/46/48/553104648.db2.gz QSIYXVSDEJQCRO-DOTOQJQBSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234716 553104649 /nfs/dbraw/zinc/10/46/49/553104649.db2.gz QSIYXVSDEJQCRO-DOTOQJQBSA-N 2 1 385.346 2.853 20 0 GFADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000247479674 553122483 /nfs/dbraw/zinc/12/24/83/553122483.db2.gz JZGZCPIISCCYOW-NVXWUHKLSA-N 2 1 385.346 2.853 20 0 GFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000247479674 553122486 /nfs/dbraw/zinc/12/24/86/553122486.db2.gz JZGZCPIISCCYOW-NVXWUHKLSA-N 2 1 385.346 2.853 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261972592 553163186 /nfs/dbraw/zinc/16/31/86/553163186.db2.gz ZFIMLKAUTZBPNZ-DOTOQJQBSA-N 2 1 380.330 2.529 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261972595 553163551 /nfs/dbraw/zinc/16/35/51/553163551.db2.gz ZFIMLKAUTZBPNZ-NVXWUHKLSA-N 2 1 380.330 2.529 20 0 GFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187531 563326420 /nfs/dbraw/zinc/32/64/20/563326420.db2.gz CTCWGJIKJWBUJC-CXAGYDPISA-N 2 1 385.961 2.773 20 0 GFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187531 563326424 /nfs/dbraw/zinc/32/64/24/563326424.db2.gz CTCWGJIKJWBUJC-CXAGYDPISA-N 2 1 385.961 2.773 20 0 GFADMP CC[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422909231 563350819 /nfs/dbraw/zinc/35/08/19/563350819.db2.gz NRHILNSGXAMXKF-SJORKVTESA-N 2 1 382.346 2.918 20 0 GFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938458 563351518 /nfs/dbraw/zinc/35/15/18/563351518.db2.gz KXCYQCRXUXPIRL-JLZZUVOBSA-N 2 1 377.282 2.923 20 0 GFADMP C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1c[nH+]ccc1N ZINC000423156087 563356968 /nfs/dbraw/zinc/35/69/68/563356968.db2.gz MBACUEDMAPNBKK-RYUDHWBXSA-N 2 1 382.277 2.898 20 0 GFADMP Fc1ccc([C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccc(Br)o2)cc1 ZINC000423209787 563358535 /nfs/dbraw/zinc/35/85/35/563358535.db2.gz VQFMQSRKHVGPPI-KRWDZBQOSA-N 2 1 382.277 2.765 20 0 GFADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000283821130 563456289 /nfs/dbraw/zinc/45/62/89/563456289.db2.gz CUEISIGJUFALKT-UHFFFAOYSA-N 2 1 393.329 2.945 20 0 GFADMP O=C(C[C@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000427289799 563464552 /nfs/dbraw/zinc/46/45/52/563464552.db2.gz WQBBMZMAKRTDPQ-OAHLLOKOSA-N 2 1 380.330 2.529 20 0 GFADMP OC1(CNc2cc[nH+]cc2Br)CC[NH+](Cc2ccccc2)CC1 ZINC000397542749 563531858 /nfs/dbraw/zinc/53/18/58/563531858.db2.gz BXMXDARPNRYUNW-UHFFFAOYSA-N 2 1 376.298 2.705 20 0 GFADMP COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)c(Br)c1OC ZINC000430548144 563545409 /nfs/dbraw/zinc/54/54/09/563545409.db2.gz BJCINRCEZBGEST-UHFFFAOYSA-N 2 1 387.318 2.796 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414962569 563754990 /nfs/dbraw/zinc/75/49/90/563754990.db2.gz ZTTLZAPLMGQUCO-ZFWWWQNUSA-N 2 1 399.329 2.930 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062702 563790276 /nfs/dbraw/zinc/79/02/76/563790276.db2.gz VCRMDSDVKBWMCT-GJZGRUSLSA-N 2 1 382.346 2.857 20 0 GFADMP [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997224 563801886 /nfs/dbraw/zinc/80/18/86/563801886.db2.gz RBPRTBPJOFFQJK-TZMCWYRMSA-N 2 1 378.464 2.539 20 0 GFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556124 563882796 /nfs/dbraw/zinc/88/27/96/563882796.db2.gz FBSXEROLLYAINV-XUJVJEKNSA-N 2 1 378.460 2.927 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556124 563882797 /nfs/dbraw/zinc/88/27/97/563882797.db2.gz FBSXEROLLYAINV-XUJVJEKNSA-N 2 1 378.460 2.927 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC[NH2+]CC1 ZINC000417566194 563883196 /nfs/dbraw/zinc/88/31/96/563883196.db2.gz ICFASANNAYPVHW-UHFFFAOYSA-N 2 1 385.339 2.963 20 0 GFADMP C[C@H](CCC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417886763 563890830 /nfs/dbraw/zinc/89/08/30/563890830.db2.gz KHFSBUMIFNQZBY-CQSZACIVSA-N 2 1 397.361 2.840 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449684331 564196116 /nfs/dbraw/zinc/19/61/16/564196116.db2.gz PENIUBNFQQOIJI-CQSZACIVSA-N 2 1 396.304 2.990 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3c(Br)cccc32)CC1 ZINC000543081845 564337134 /nfs/dbraw/zinc/33/71/34/564337134.db2.gz OBLVWNMOBLCEHL-QGZVFWFLSA-N 2 1 380.330 2.580 20 0 GFADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490105 564373305 /nfs/dbraw/zinc/37/33/05/564373305.db2.gz QPTYSFPBMILHGW-KBRIMQKVSA-N 2 1 377.535 2.636 20 0 GFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567605303 564379661 /nfs/dbraw/zinc/37/96/61/564379661.db2.gz MXVKLBJWZOOGEN-DOTOQJQBSA-N 2 1 385.346 2.756 20 0 GFADMP C[N@H+](Cc1cc(Br)ccc1OC(F)F)C1CCN(CCO)CC1 ZINC000513526517 564431362 /nfs/dbraw/zinc/43/13/62/564431362.db2.gz VECXNRVZCOFLNG-UHFFFAOYSA-N 2 1 393.272 2.939 20 0 GFADMP C[N@@H+](Cc1cc(Br)ccc1OC(F)F)C1CCN(CCO)CC1 ZINC000513526517 564431365 /nfs/dbraw/zinc/43/13/65/564431365.db2.gz VECXNRVZCOFLNG-UHFFFAOYSA-N 2 1 393.272 2.939 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3cccc(Br)c3)CCC2)CC1 ZINC000514119691 564445439 /nfs/dbraw/zinc/44/54/39/564445439.db2.gz YTONJEICSMPRFE-UHFFFAOYSA-N 2 1 380.330 2.582 20 0 GFADMP OC1CC[NH+](Cc2ccc(CNc3cc[nH+]cc3Br)cc2)CC1 ZINC000547824891 564512419 /nfs/dbraw/zinc/51/24/19/564512419.db2.gz WSHDHYCQUGSGJL-UHFFFAOYSA-N 2 1 376.298 2.835 20 0 GFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703855 564587842 /nfs/dbraw/zinc/58/78/42/564587842.db2.gz LCJZPQJUVHIRJZ-ZWKOTPCHSA-N 2 1 387.362 2.849 20 0 GFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703855 564587847 /nfs/dbraw/zinc/58/78/47/564587847.db2.gz LCJZPQJUVHIRJZ-ZWKOTPCHSA-N 2 1 387.362 2.849 20 0 GFADMP [NH3+]CC1(CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000576753171 564718455 /nfs/dbraw/zinc/71/84/55/564718455.db2.gz QAPNEPYHRGDNPL-UHFFFAOYSA-N 2 1 380.330 2.659 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1(C)C ZINC000555586895 564798587 /nfs/dbraw/zinc/79/85/87/564798587.db2.gz JXWINBWPZCLZBI-MRXNPFEDSA-N 2 1 380.374 2.922 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524116 564929974 /nfs/dbraw/zinc/92/99/74/564929974.db2.gz UJBGLGPQGHUKED-SFHVURJKSA-N 2 1 396.373 2.866 20 0 GFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637904627 565175465 /nfs/dbraw/zinc/17/54/65/565175465.db2.gz FDFNLWDGCZWCAQ-UHFFFAOYSA-N 2 1 387.977 2.931 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000637904627 565175470 /nfs/dbraw/zinc/17/54/70/565175470.db2.gz FDFNLWDGCZWCAQ-UHFFFAOYSA-N 2 1 387.977 2.931 20 0 GFADMP COc1cc(Br)ccc1CCC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153981 565353198 /nfs/dbraw/zinc/35/31/98/565353198.db2.gz VNJPDYWHIOUOAD-SFHVURJKSA-N 2 1 397.357 2.921 20 0 GFADMP COc1cc(Br)ccc1CCC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153981 565353202 /nfs/dbraw/zinc/35/32/02/565353202.db2.gz VNJPDYWHIOUOAD-SFHVURJKSA-N 2 1 397.357 2.921 20 0 GFADMP C[NH2+][C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489216 565371618 /nfs/dbraw/zinc/37/16/18/565371618.db2.gz KJWOYTRBOMYQKJ-HOCLYGCPSA-N 2 1 376.353 2.807 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594465 565379931 /nfs/dbraw/zinc/37/99/31/565379931.db2.gz TWZYVJKVPOGKQA-FZKQIMNGSA-N 2 1 382.346 2.860 20 0 GFADMP C[NH2+][C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707514 565382811 /nfs/dbraw/zinc/38/28/11/565382811.db2.gz GGKHNVFUPPQPGY-CXAGYDPISA-N 2 1 386.323 2.623 20 0 GFADMP C[NH2+][C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972053 565390571 /nfs/dbraw/zinc/39/05/71/565390571.db2.gz HNJFURWDNSLDKY-SUMWQHHRSA-N 2 1 388.339 2.823 20 0 GFADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466023 565422711 /nfs/dbraw/zinc/42/27/11/565422711.db2.gz NDBNINFGEIDZME-GOEBONIOSA-N 2 1 382.346 2.711 20 0 GFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H]2CCCCc3ccc(Br)cc32)n1 ZINC000665293202 565495780 /nfs/dbraw/zinc/49/57/80/565495780.db2.gz VJBSXPMVNIIHEP-OAHLLOKOSA-N 2 1 377.286 2.961 20 0 GFADMP C[NH+](C)CCCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000665689544 565508474 /nfs/dbraw/zinc/50/84/74/565508474.db2.gz CMCIRMZGMBPFPU-UHFFFAOYSA-N 2 1 397.361 2.664 20 0 GFADMP Cn1c[nH+]cc1CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797142 565660490 /nfs/dbraw/zinc/66/04/90/565660490.db2.gz QQCZZJNYBNSMGM-SFHVURJKSA-N 2 1 378.314 2.625 20 0 GFADMP c1cc(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418990 598717838 /nfs/dbraw/zinc/71/78/38/598717838.db2.gz LDYRGZWXXLZUDJ-GOSISDBHSA-N 2 1 384.528 2.834 20 0 GFADMP c1cc(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418990 598717840 /nfs/dbraw/zinc/71/78/40/598717840.db2.gz LDYRGZWXXLZUDJ-GOSISDBHSA-N 2 1 384.528 2.834 20 0 GFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737272015 599317999 /nfs/dbraw/zinc/31/79/99/599317999.db2.gz OZZLGZKUSOQBAQ-KDOFPFPSSA-N 2 1 378.484 2.593 20 0 GFADMP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000738420414 599487652 /nfs/dbraw/zinc/48/76/52/599487652.db2.gz FRDLYYSGKZMEEX-UHFFFAOYSA-N 2 1 394.527 2.649 20 0 GFADMP Cn1c[nH+]c2cc(NC3CC[NH+](Cc4ccc(-c5nn[nH]n5)cc4)CC3)ccc21 ZINC000826365649 609280281 /nfs/dbraw/zinc/28/02/81/609280281.db2.gz XBELSZMWJBJHPO-UHFFFAOYSA-N 2 1 388.479 2.830 20 0 GFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000270552699 655048878 /nfs/dbraw/zinc/04/88/78/655048878.db2.gz BSSNDBMCLRLWBV-CQSZACIVSA-N 2 1 392.301 2.700 20 0 GFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000270552699 655048882 /nfs/dbraw/zinc/04/88/82/655048882.db2.gz BSSNDBMCLRLWBV-CQSZACIVSA-N 2 1 392.301 2.700 20 0 GFADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178671443 655307790 /nfs/dbraw/zinc/30/77/90/655307790.db2.gz BCZJCOYREYHBAJ-KGLIPLIRSA-N 2 1 388.339 2.903 20 0 GFADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000277329176 655313336 /nfs/dbraw/zinc/31/33/36/655313336.db2.gz CNWAYGMPZXTLHR-ROUUACIJSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000277329176 655313339 /nfs/dbraw/zinc/31/33/39/655313339.db2.gz CNWAYGMPZXTLHR-ROUUACIJSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000277329176 655313340 /nfs/dbraw/zinc/31/33/40/655313340.db2.gz CNWAYGMPZXTLHR-ROUUACIJSA-N 2 1 383.330 2.891 20 0 GFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@H]34)cc2)CC1 ZINC000775377425 656633638 /nfs/dbraw/zinc/63/36/38/656633638.db2.gz WYYSKUOSHPTOKS-VAMGGRTRSA-N 2 1 377.623 2.903 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850518043 661780188 /nfs/dbraw/zinc/78/01/88/661780188.db2.gz BKGMPVURAZSMFH-LBPRGKRZSA-N 2 1 375.416 2.808 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346221 661987110 /nfs/dbraw/zinc/98/71/10/661987110.db2.gz RZEZDRCTEQZTNU-SUMWQHHRSA-N 2 1 390.355 2.805 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(C(F)(F)F)cc(Cl)n1 ZINC000855347090 661987125 /nfs/dbraw/zinc/98/71/25/661987125.db2.gz SNVGASZHJOCGPH-NSHDSACASA-N 2 1 380.842 2.756 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(Cl)nc2cc(Cl)ccn21 ZINC000855344229 661987415 /nfs/dbraw/zinc/98/74/15/661987415.db2.gz CRBQOUIYWDPFSD-LBPRGKRZSA-N 2 1 386.327 2.643 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896616 662707111 /nfs/dbraw/zinc/70/71/11/662707111.db2.gz WWBKCWXIWWTUOZ-YOEHRIQHSA-N 2 1 380.330 2.639 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+](C)CCCCCC[NH3+] ZINC000872155501 662757055 /nfs/dbraw/zinc/75/70/55/662757055.db2.gz NBTFMCGFDHMFEJ-UHFFFAOYSA-N 2 1 376.364 2.920 20 0 GFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000877055869 662870382 /nfs/dbraw/zinc/87/03/82/662870382.db2.gz WKXAFTOSDMDOAS-QAPCUYQASA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000877055869 662870384 /nfs/dbraw/zinc/87/03/84/662870384.db2.gz WKXAFTOSDMDOAS-QAPCUYQASA-N 2 1 379.551 2.568 20 0 GFADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(Cl)c(S(N)(=O)=O)c2)cc1 ZINC000877524646 662877953 /nfs/dbraw/zinc/87/79/53/662877953.db2.gz AFGACSCEDIVHRR-UHFFFAOYSA-N 2 1 381.929 2.681 20 0 GFADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000891535043 663342858 /nfs/dbraw/zinc/34/28/58/663342858.db2.gz RZXZUYQONLYCGX-OKILXGFUSA-N 2 1 385.339 2.994 20 0 GFADMP [NH3+][C@H]1C[C@@H](CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000891769901 663349791 /nfs/dbraw/zinc/34/97/91/663349791.db2.gz SYTZOAPSTHEYNX-DRQUAOQDSA-N 2 1 385.339 2.994 20 0 GFADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000894254511 663451221 /nfs/dbraw/zinc/45/12/21/663451221.db2.gz SOLVLNMQMHHEFF-UHFFFAOYSA-N 2 1 397.361 2.523 20 0 GFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)CC1 ZINC000894780169 663481145 /nfs/dbraw/zinc/48/11/45/663481145.db2.gz YPVXSRNXXPOCNM-HNNXBMFYSA-N 2 1 384.977 2.797 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cc(N)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681626 719626730 /nfs/dbraw/zinc/62/67/30/719626730.db2.gz JRMASXRFLLNJCF-UHFFFAOYSA-N 2 1 384.862 2.597 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cc(N)cc(Cl)n2)c2c1CC[NH2+]C2 ZINC001164681626 719626741 /nfs/dbraw/zinc/62/67/41/719626741.db2.gz JRMASXRFLLNJCF-UHFFFAOYSA-N 2 1 384.862 2.597 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816080 720164279 /nfs/dbraw/zinc/16/42/79/720164279.db2.gz KGLNPPAWRYYBCW-JTHBVZDNSA-N 2 1 384.568 2.862 20 0 GFADMP Nc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754869 720868893 /nfs/dbraw/zinc/86/88/93/720868893.db2.gz UFFUGCXGFFAYMY-OFNKIYASSA-N 2 1 393.535 2.814 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(C3CC[NH2+]CC3)n1)[C@@H]2C ZINC001164859697 720983760 /nfs/dbraw/zinc/98/37/60/720983760.db2.gz LKMDWHILAORANI-MRXNPFEDSA-N 2 1 383.544 2.562 20 0 GFADMP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164792564 721496201 /nfs/dbraw/zinc/49/62/01/721496201.db2.gz QWEYWMYLUIDYKC-UHFFFAOYSA-N 2 1 393.491 2.689 20 0 GFADMP C[N@@H+](Cc1ccncc1)C1CC2(C1)CCN(c1[nH+]ccc3c1NC(=O)CO3)CC2 ZINC001164792564 721496205 /nfs/dbraw/zinc/49/62/05/721496205.db2.gz QWEYWMYLUIDYKC-UHFFFAOYSA-N 2 1 393.491 2.689 20 0 GFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@H]2CCCO[C@H]12 ZINC001164798222 721567122 /nfs/dbraw/zinc/56/71/22/721567122.db2.gz AZUFHDNORWZSFY-XJUOHMSHSA-N 2 1 393.535 2.945 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982362 722107540 /nfs/dbraw/zinc/10/75/40/722107540.db2.gz NZCNGVGWOZPRFT-RXVVDRJESA-N 2 1 377.492 2.696 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000154818708 551483696 /nfs/dbraw/zinc/48/36/96/551483696.db2.gz WUOOEJUXPQQPAO-CQSZACIVSA-N 2 1 398.345 2.867 20 0 GFADMP C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182958692 552296915 /nfs/dbraw/zinc/29/69/15/552296915.db2.gz ATGRVIVEZINVOJ-AWEZNQCLSA-N 2 1 387.355 2.890 20 0 GFADMP [NH3+]CC(=O)N1CC[NH+](Cc2ccc(-c3ccc(Br)cc3)s2)CC1 ZINC000237955748 553084078 /nfs/dbraw/zinc/08/40/78/553084078.db2.gz IVDXTWBCWWGLAH-UHFFFAOYSA-N 2 1 394.338 2.781 20 0 GFADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262083990 553165286 /nfs/dbraw/zinc/16/52/86/553165286.db2.gz FSTAVAZADCEPGL-ZDUSSCGKSA-N 2 1 390.272 2.530 20 0 GFADMP FC(F)Oc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262083990 553165288 /nfs/dbraw/zinc/16/52/88/553165288.db2.gz FSTAVAZADCEPGL-ZDUSSCGKSA-N 2 1 390.272 2.530 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262365622 553169881 /nfs/dbraw/zinc/16/98/81/553169881.db2.gz WWNDKZXBSXTFFY-TZMCWYRMSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262365622 553169884 /nfs/dbraw/zinc/16/98/84/553169884.db2.gz WWNDKZXBSXTFFY-TZMCWYRMSA-N 2 1 386.359 2.591 20 0 GFADMP Brc1ccc(-c2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000420347529 563261905 /nfs/dbraw/zinc/26/19/05/563261905.db2.gz HDXIMDMGHAVXHD-KRWDZBQOSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1ccc(-c2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)co2)cc1 ZINC000420347529 563261909 /nfs/dbraw/zinc/26/19/09/563261909.db2.gz HDXIMDMGHAVXHD-KRWDZBQOSA-N 2 1 391.313 2.584 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408937 563262569 /nfs/dbraw/zinc/26/25/69/563262569.db2.gz QDMCCJQEQJEFDZ-IIAWOOMASA-N 2 1 382.346 2.713 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408937 563262572 /nfs/dbraw/zinc/26/25/72/563262572.db2.gz QDMCCJQEQJEFDZ-IIAWOOMASA-N 2 1 382.346 2.713 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3coc(Br)c3)CC2)CC1 ZINC000371091357 563265330 /nfs/dbraw/zinc/26/53/30/563265330.db2.gz VGWALNASCDOKKX-UHFFFAOYSA-N 2 1 398.345 2.968 20 0 GFADMP CC[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155460 563357120 /nfs/dbraw/zinc/35/71/20/563357120.db2.gz LCXRANFPOAQRIO-XYPHTWIQSA-N 2 1 385.346 2.729 20 0 GFADMP COc1cc2[nH+]ccc(N3CCC[N@H+]([C@H](C)CO)CC3)c2cc1Br ZINC000425250794 563415098 /nfs/dbraw/zinc/41/50/98/563415098.db2.gz DLRSVSNUKIAZCM-CYBMUJFWSA-N 2 1 394.313 2.899 20 0 GFADMP COC(=O)[C@@H]1C[N@@H+](CCn2ccnc2)C[C@H]1c1ccc(Br)cc1 ZINC000425520378 563426183 /nfs/dbraw/zinc/42/61/83/563426183.db2.gz QYMVXEZNNSPGFU-JKSUJKDBSA-N 2 1 378.270 2.534 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1ccccc1Br ZINC000428549508 563495460 /nfs/dbraw/zinc/49/54/60/563495460.db2.gz PXZXUIJKRCTPQY-AWEZNQCLSA-N 2 1 378.314 2.851 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000397318224 563531690 /nfs/dbraw/zinc/53/16/90/563531690.db2.gz MFEWTNODSWPCJJ-FMKPAKJESA-N 2 1 382.346 2.713 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000397318224 563531694 /nfs/dbraw/zinc/53/16/94/563531694.db2.gz MFEWTNODSWPCJJ-FMKPAKJESA-N 2 1 382.346 2.713 20 0 GFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109804 563620843 /nfs/dbraw/zinc/62/08/43/563620843.db2.gz GFAYAHDGJGQBHN-FUHWJXTLSA-N 2 1 393.329 2.815 20 0 GFADMP CC[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000413842240 563707362 /nfs/dbraw/zinc/70/73/62/563707362.db2.gz HSQFQDLEKTUDLE-CJNGLKHVSA-N 2 1 397.361 2.868 20 0 GFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370687 563730133 /nfs/dbraw/zinc/73/01/33/563730133.db2.gz VRHWPSUVPRFPHW-RDJZCZTQSA-N 2 1 387.977 2.978 20 0 GFADMP C[N@H+](Cc1cc(Br)ccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414748957 563751956 /nfs/dbraw/zinc/75/19/56/563751956.db2.gz VMAOCXCWLVWEFK-LBPRGKRZSA-N 2 1 388.737 2.732 20 0 GFADMP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414769824 563753028 /nfs/dbraw/zinc/75/30/28/563753028.db2.gz XJDZIZCJNWCWLZ-GXTWGEPZSA-N 2 1 388.375 2.837 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062701 563790153 /nfs/dbraw/zinc/79/01/53/563790153.db2.gz VCRMDSDVKBWMCT-CABCVRRESA-N 2 1 382.346 2.857 20 0 GFADMP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997221 563802005 /nfs/dbraw/zinc/80/20/05/563802005.db2.gz RBPRTBPJOFFQJK-GXTWGEPZSA-N 2 1 378.464 2.539 20 0 GFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960421 564178703 /nfs/dbraw/zinc/17/87/03/564178703.db2.gz VDNXFQRBFKBZPH-YOEHRIQHSA-N 2 1 382.346 2.716 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000453384949 564456473 /nfs/dbraw/zinc/45/64/73/564456473.db2.gz UJOPCSWSNDIAND-KMFMINBZSA-N 2 1 385.346 2.539 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527655182 564753213 /nfs/dbraw/zinc/75/32/13/564753213.db2.gz YVKYBOVCUCSWJH-UHFFFAOYSA-N 2 1 376.289 2.845 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(O)cc(Br)c2)CC1 ZINC000528151780 564771790 /nfs/dbraw/zinc/77/17/90/564771790.db2.gz VPJXYHVWDNFMDL-UHFFFAOYSA-N 2 1 391.269 2.554 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000581619681 564811068 /nfs/dbraw/zinc/81/10/68/564811068.db2.gz HTKNBTVCTROIJP-UHFFFAOYSA-N 2 1 392.341 2.702 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000581619681 564811072 /nfs/dbraw/zinc/81/10/72/564811072.db2.gz HTKNBTVCTROIJP-UHFFFAOYSA-N 2 1 392.341 2.702 20 0 GFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260483 564816348 /nfs/dbraw/zinc/81/63/48/564816348.db2.gz PMFBARNISIXBGO-HZPDHXFCSA-N 2 1 384.362 2.957 20 0 GFADMP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NCc2ccc(Cl)s2)CC1 ZINC000467174233 564957677 /nfs/dbraw/zinc/95/76/77/564957677.db2.gz GXQQBXGIADDOSG-UHFFFAOYSA-N 2 1 387.977 2.841 20 0 GFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638787880 565211973 /nfs/dbraw/zinc/21/19/73/565211973.db2.gz NJAREINJGFBHHT-CQSZACIVSA-N 2 1 380.334 2.949 20 0 GFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638787880 565211977 /nfs/dbraw/zinc/21/19/77/565211977.db2.gz NJAREINJGFBHHT-CQSZACIVSA-N 2 1 380.334 2.949 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000591718874 565237778 /nfs/dbraw/zinc/23/77/78/565237778.db2.gz KKFKQQJKVTYQNQ-UHFFFAOYSA-N 2 1 394.357 2.842 20 0 GFADMP Cc1c(F)c(Br)ccc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617502126 565242201 /nfs/dbraw/zinc/24/22/01/565242201.db2.gz CYDAMHDFGASNLY-LBPRGKRZSA-N 2 1 388.325 2.898 20 0 GFADMP Cc1c(F)c(Br)ccc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617502126 565242204 /nfs/dbraw/zinc/24/22/04/565242204.db2.gz CYDAMHDFGASNLY-LBPRGKRZSA-N 2 1 388.325 2.898 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1ccccc1Br ZINC000617504952 565243169 /nfs/dbraw/zinc/24/31/69/565243169.db2.gz QPXOSRYQOBGUTK-HNNXBMFYSA-N 2 1 384.362 2.770 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1ccccc1Br ZINC000617504952 565243171 /nfs/dbraw/zinc/24/31/71/565243171.db2.gz QPXOSRYQOBGUTK-HNNXBMFYSA-N 2 1 384.362 2.770 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319416 565360208 /nfs/dbraw/zinc/36/02/08/565360208.db2.gz MUTCZCQLPNZJJH-GDBMZVCRSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319416 565360211 /nfs/dbraw/zinc/36/02/11/565360211.db2.gz MUTCZCQLPNZJJH-GDBMZVCRSA-N 2 1 391.339 2.776 20 0 GFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662386855 565365179 /nfs/dbraw/zinc/36/51/79/565365179.db2.gz OCHTZOSQNIWSJQ-CKEIUWERSA-N 2 1 382.346 2.933 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662743935 565383427 /nfs/dbraw/zinc/38/34/27/565383427.db2.gz ABHOXHHFZXZZNT-XNRPHZJLSA-N 2 1 375.460 2.789 20 0 GFADMP CC(C)C[C@H]([NH2+]Cc1ccsc1Br)C(=O)NCC[NH+](C)C ZINC000623475591 565513712 /nfs/dbraw/zinc/51/37/12/565513712.db2.gz TYYBPNJRIKGOSQ-ZDUSSCGKSA-N 2 1 376.364 2.693 20 0 GFADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000623888616 565534172 /nfs/dbraw/zinc/53/41/72/565534172.db2.gz NHLATHLZDJAWRU-HUUCEWRRSA-N 2 1 382.346 2.996 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC[C@H]21 ZINC000646249006 565591422 /nfs/dbraw/zinc/59/14/22/565591422.db2.gz BFEFFCAOOQGAOQ-QBIMZIAESA-N 2 1 380.330 2.566 20 0 GFADMP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000646241795 565591440 /nfs/dbraw/zinc/59/14/40/565591440.db2.gz JVZDJCKMDRYQIM-MRXNPFEDSA-N 2 1 380.330 2.528 20 0 GFADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[N@@H+]1C ZINC000648828179 565732287 /nfs/dbraw/zinc/73/22/87/565732287.db2.gz QYFAMUGMNGCJEH-RDTXWAMCSA-N 2 1 394.357 2.870 20 0 GFADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[N@H+]1C ZINC000648828179 565732292 /nfs/dbraw/zinc/73/22/92/565732292.db2.gz QYFAMUGMNGCJEH-RDTXWAMCSA-N 2 1 394.357 2.870 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678012 565779153 /nfs/dbraw/zinc/77/91/53/565779153.db2.gz AKIUIVZFEBGDGH-HLLBOEOZSA-N 2 1 392.341 2.713 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678012 565779160 /nfs/dbraw/zinc/77/91/60/565779160.db2.gz AKIUIVZFEBGDGH-HLLBOEOZSA-N 2 1 392.341 2.713 20 0 GFADMP C[C@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000631682398 565967393 /nfs/dbraw/zinc/96/73/93/565967393.db2.gz AILLADFDNJMPRI-ZDUSSCGKSA-N 2 1 381.318 2.974 20 0 GFADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930748 566096116 /nfs/dbraw/zinc/09/61/16/566096116.db2.gz UBARLQKNQWZNEU-UONOGXRCSA-N 2 1 380.842 2.912 20 0 GFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803917 566100304 /nfs/dbraw/zinc/10/03/04/566100304.db2.gz DWFXZQNDJVLDSP-HOTGVXAUSA-N 2 1 388.293 2.789 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000826168656 608364426 /nfs/dbraw/zinc/36/44/26/608364426.db2.gz UKJGNCRKZWGUPH-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000826168656 608364428 /nfs/dbraw/zinc/36/44/28/608364428.db2.gz UKJGNCRKZWGUPH-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP Cc1ccc(NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c(N(C)C)[nH+]1 ZINC000826291808 609253868 /nfs/dbraw/zinc/25/38/68/609253868.db2.gz WTDQTBRIFDNXOL-UHFFFAOYSA-N 2 1 392.511 2.713 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1Br ZINC000272645722 655117990 /nfs/dbraw/zinc/11/79/90/655117990.db2.gz FLHJDFSIBQESRW-CQSZACIVSA-N 2 1 398.349 2.724 20 0 GFADMP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000274734965 655199121 /nfs/dbraw/zinc/19/91/21/655199121.db2.gz BNDYBSMLVMUECE-DLBZAZTESA-N 2 1 383.330 2.925 20 0 GFADMP CCc1ccc(C[NH+]2CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC2)s1 ZINC000737452612 655672485 /nfs/dbraw/zinc/67/24/85/655672485.db2.gz NZVBSGJOOIJHDP-UHFFFAOYSA-N 2 1 382.643 2.890 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1Br ZINC000755832568 655889561 /nfs/dbraw/zinc/88/95/61/655889561.db2.gz OOCSRUIKZWDAAV-HNNXBMFYSA-N 2 1 397.361 2.641 20 0 GFADMP CCCCn1nc(C)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000841070761 661230804 /nfs/dbraw/zinc/23/08/04/661230804.db2.gz SKALVURCRSCQFW-AWEZNQCLSA-N 2 1 381.874 2.571 20 0 GFADMP Cn1nc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000841074531 661231629 /nfs/dbraw/zinc/23/16/29/661231629.db2.gz DJBBICRHKCDGLZ-XJKSGUPXSA-N 2 1 381.293 2.805 20 0 GFADMP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2(Br)CC2)CC1 ZINC000846824383 661567354 /nfs/dbraw/zinc/56/73/54/661567354.db2.gz CIZRINIWINOVGP-UHFFFAOYSA-N 2 1 382.346 2.677 20 0 GFADMP Cc1nc(-c2ccc(CNC(=[NH2+])NCCC[NH+]3CCOCC3)s2)cs1 ZINC000849055695 661690507 /nfs/dbraw/zinc/69/05/07/661690507.db2.gz YXESBEQUTULQRJ-UHFFFAOYSA-N 2 1 379.555 2.516 20 0 GFADMP Cn1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c(Br)n1 ZINC000858124322 662100081 /nfs/dbraw/zinc/10/00/81/662100081.db2.gz RTZVJJVZODIJRW-UHFFFAOYSA-N 2 1 381.318 2.803 20 0 GFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000877055872 662870295 /nfs/dbraw/zinc/87/02/95/662870295.db2.gz WKXAFTOSDMDOAS-YJBOKZPZSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@H]1c1cccs1 ZINC000877055872 662870296 /nfs/dbraw/zinc/87/02/96/662870296.db2.gz WKXAFTOSDMDOAS-YJBOKZPZSA-N 2 1 379.551 2.568 20 0 GFADMP COCC[N@H+](CC(=O)N(C)Cc1ccc(Cl)s1)CC1CC[NH+](C)CC1 ZINC000879122469 662917756 /nfs/dbraw/zinc/91/77/56/662917756.db2.gz MPBCLHSJMBQQDK-UHFFFAOYSA-N 2 1 387.977 2.650 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883377305 663054255 /nfs/dbraw/zinc/05/42/55/663054255.db2.gz DQCQBMFTMBGSSZ-UXLLHSPISA-N 2 1 378.314 2.919 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883377305 663054256 /nfs/dbraw/zinc/05/42/56/663054256.db2.gz DQCQBMFTMBGSSZ-UXLLHSPISA-N 2 1 378.314 2.919 20 0 GFADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892907015 663389235 /nfs/dbraw/zinc/38/92/35/663389235.db2.gz WGDJSBXQMCHQNW-CRAIPNDOSA-N 2 1 384.973 2.965 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1I ZINC000894180043 663447018 /nfs/dbraw/zinc/44/70/18/663447018.db2.gz IMEXPNPVARIDPC-CYBMUJFWSA-N 2 1 390.313 2.769 20 0 GFADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000903442403 663784884 /nfs/dbraw/zinc/78/48/84/663784884.db2.gz OOOVRFPDTHXKLR-KCQAQPDRSA-N 2 1 381.318 2.622 20 0 GFADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(Br)c(F)c2)cnn1C ZINC000903914362 663811272 /nfs/dbraw/zinc/81/12/72/663811272.db2.gz TWMVACBJQGKXFP-AWEZNQCLSA-N 2 1 383.309 2.880 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387841 664598091 /nfs/dbraw/zinc/59/80/91/664598091.db2.gz BHPRWQMJYPDEIK-UWIFEVILSA-N 2 1 383.330 2.724 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000923423929 664630231 /nfs/dbraw/zinc/63/02/31/664630231.db2.gz CUHMVZILWBKTDL-JLLWLGSASA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000923423929 664630232 /nfs/dbraw/zinc/63/02/32/664630232.db2.gz CUHMVZILWBKTDL-JLLWLGSASA-N 2 1 387.229 2.802 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC[N@H+](C)[C@@H]3C2)n1 ZINC001164673190 719443867 /nfs/dbraw/zinc/44/38/67/719443867.db2.gz STRVFGMHRVVJBD-HZPDHXFCSA-N 2 1 389.569 2.669 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)n1 ZINC001164673190 719443870 /nfs/dbraw/zinc/44/38/70/719443870.db2.gz STRVFGMHRVVJBD-HZPDHXFCSA-N 2 1 389.569 2.669 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(Oc3ccccc3)ncn2)c2c1CC[NH2+]C2 ZINC001164682672 719610278 /nfs/dbraw/zinc/61/02/78/719610278.db2.gz FHFAMNGEHJDULY-UHFFFAOYSA-N 2 1 378.480 2.941 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(Oc3ccccc3)ncn2)c2c1CC[NH2+]C2 ZINC001164682672 719610289 /nfs/dbraw/zinc/61/02/89/719610289.db2.gz FHFAMNGEHJDULY-UHFFFAOYSA-N 2 1 378.480 2.941 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679815 719638146 /nfs/dbraw/zinc/63/81/46/719638146.db2.gz OADNUJRPKJDMFJ-UHFFFAOYSA-N 2 1 382.537 2.852 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3sc4c(c32)CCC4)c2c1CC[NH2+]C2 ZINC001164679815 719638155 /nfs/dbraw/zinc/63/81/55/719638155.db2.gz OADNUJRPKJDMFJ-UHFFFAOYSA-N 2 1 382.537 2.852 20 0 GFADMP COc1cc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc2c(OC)c1 ZINC001164680178 719650148 /nfs/dbraw/zinc/65/01/48/719650148.db2.gz RJNCGVSDFHCAJF-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP COc1cc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc2c(OC)c1 ZINC001164680178 719650154 /nfs/dbraw/zinc/65/01/54/719650154.db2.gz RJNCGVSDFHCAJF-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809151 720066062 /nfs/dbraw/zinc/06/60/62/720066062.db2.gz ISCLOWJQCZUVSF-DENIHFKCSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809157 720066944 /nfs/dbraw/zinc/06/69/44/720066944.db2.gz ISCLOWJQCZUVSF-UGKGYDQZSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820213 720155301 /nfs/dbraw/zinc/15/53/01/720155301.db2.gz ZSYSUMONQMSZJF-KKSFZXQISA-N 2 1 390.959 2.565 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)[nH+]1 ZINC001164814718 720225135 /nfs/dbraw/zinc/22/51/35/720225135.db2.gz WOOWDBGYAYWEEJ-UHFFFAOYSA-N 2 1 380.496 2.679 20 0 GFADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164867269 721113656 /nfs/dbraw/zinc/11/36/56/721113656.db2.gz XPAJIHDJLRQIOX-NHCUHLMSSA-N 2 1 379.508 2.557 20 0 GFADMP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccs1 ZINC000054539936 551169299 /nfs/dbraw/zinc/16/92/99/551169299.db2.gz OUIYTGYCMCUAFG-OAHLLOKOSA-N 2 1 378.567 2.770 20 0 GFADMP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1cccs1 ZINC000054539936 551169300 /nfs/dbraw/zinc/16/93/00/551169300.db2.gz OUIYTGYCMCUAFG-OAHLLOKOSA-N 2 1 378.567 2.770 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000185177803 552356432 /nfs/dbraw/zinc/35/64/32/552356432.db2.gz XVTUTBCJTVOEJV-UHFFFAOYSA-N 2 1 391.313 2.820 20 0 GFADMP Cn1cc[nH+]c1C[C@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938097 553099499 /nfs/dbraw/zinc/09/94/99/553099499.db2.gz ZVYXLWRLXMMHAF-CXAGYDPISA-N 2 1 391.313 2.664 20 0 GFADMP Cn1cc[nH+]c1C[C@@H]1CCCN([C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000245938103 553099620 /nfs/dbraw/zinc/09/96/20/553099620.db2.gz ZVYXLWRLXMMHAF-SUMWQHHRSA-N 2 1 391.313 2.664 20 0 GFADMP CC[C@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCC[NH2+]1 ZINC000422782303 563350193 /nfs/dbraw/zinc/35/01/93/563350193.db2.gz GHDCNBFSCOXQKA-IRXDYDNUSA-N 2 1 385.599 2.585 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049737 563353853 /nfs/dbraw/zinc/35/38/53/563353853.db2.gz KPKKUJAZUDSJND-YESZJQIVSA-N 2 1 381.314 2.631 20 0 GFADMP CC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156186 563357635 /nfs/dbraw/zinc/35/76/35/563357635.db2.gz MGVIYINAYIAWNZ-UAGQMJEPSA-N 2 1 385.346 2.729 20 0 GFADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000376804014 563454843 /nfs/dbraw/zinc/45/48/43/563454843.db2.gz XZCQMZJJVBXFKA-MRXNPFEDSA-N 2 1 385.599 2.754 20 0 GFADMP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1Br ZINC000378266771 563500273 /nfs/dbraw/zinc/50/02/73/563500273.db2.gz BQUDGYBDCRWLCS-HNNXBMFYSA-N 2 1 380.330 2.656 20 0 GFADMP Brc1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390872310 563523523 /nfs/dbraw/zinc/52/35/23/563523523.db2.gz QMECJBRPERZVMF-INIZCTEOSA-N 2 1 376.298 2.969 20 0 GFADMP Brc1c[nH+]ccc1NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390872310 563523527 /nfs/dbraw/zinc/52/35/27/563523527.db2.gz QMECJBRPERZVMF-INIZCTEOSA-N 2 1 376.298 2.969 20 0 GFADMP CCC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000431070371 563552130 /nfs/dbraw/zinc/55/21/30/563552130.db2.gz XUPRZIUDUAEJHF-UHFFFAOYSA-N 2 1 388.375 2.933 20 0 GFADMP CCC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)C1CC[NH2+]CC1 ZINC000431070371 563552133 /nfs/dbraw/zinc/55/21/33/563552133.db2.gz XUPRZIUDUAEJHF-UHFFFAOYSA-N 2 1 388.375 2.933 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741679 563751967 /nfs/dbraw/zinc/75/19/67/563751967.db2.gz FMEVWRSVOYKDEA-ZFWWWQNUSA-N 2 1 386.323 2.644 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102697 563759412 /nfs/dbraw/zinc/75/94/12/563759412.db2.gz CQVXYRGAKRXPLF-SUMWQHHRSA-N 2 1 378.318 2.940 20 0 GFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554499 563813711 /nfs/dbraw/zinc/81/37/11/563813711.db2.gz MEQWMZGRWXFAAN-QGZVFWFLSA-N 2 1 384.293 2.944 20 0 GFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554499 563813714 /nfs/dbraw/zinc/81/37/14/563813714.db2.gz MEQWMZGRWXFAAN-QGZVFWFLSA-N 2 1 384.293 2.944 20 0 GFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554499 563813716 /nfs/dbraw/zinc/81/37/16/563813716.db2.gz MEQWMZGRWXFAAN-QGZVFWFLSA-N 2 1 384.293 2.944 20 0 GFADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134141 563906855 /nfs/dbraw/zinc/90/68/55/563906855.db2.gz HDJUKBHCQGDBRH-UONOGXRCSA-N 2 1 388.339 2.938 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc(Br)c1 ZINC000505731523 564188352 /nfs/dbraw/zinc/18/83/52/564188352.db2.gz NSQQGHOHRWHFPU-KRWDZBQOSA-N 2 1 382.346 2.937 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000540192296 564241686 /nfs/dbraw/zinc/24/16/86/564241686.db2.gz CSABBBPIKYEVDJ-INIZCTEOSA-N 2 1 396.373 2.976 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C ZINC000508084010 564252369 /nfs/dbraw/zinc/25/23/69/564252369.db2.gz WTMZNBNHLBHXFN-KRWDZBQOSA-N 2 1 387.977 2.685 20 0 GFADMP C[C@@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000565545683 564285765 /nfs/dbraw/zinc/28/57/65/564285765.db2.gz WXBYMFPCOUPDRC-RDTXWAMCSA-N 2 1 394.357 2.918 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453104639 564446951 /nfs/dbraw/zinc/44/69/51/564446951.db2.gz FOHXXMVXSFQBOT-SFHVURJKSA-N 2 1 394.357 2.524 20 0 GFADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569095245 564448982 /nfs/dbraw/zinc/44/89/82/564448982.db2.gz OLODMGVCWKHSEO-HBUWYVDXSA-N 2 1 385.936 2.683 20 0 GFADMP C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[NH+]1C ZINC000456371798 564603605 /nfs/dbraw/zinc/60/36/05/564603605.db2.gz NEQJZTKYAAWSPC-GUYCJALGSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[NH+]1C ZINC000456371798 564603609 /nfs/dbraw/zinc/60/36/09/564603609.db2.gz NEQJZTKYAAWSPC-GUYCJALGSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000456371798 564603611 /nfs/dbraw/zinc/60/36/11/564603611.db2.gz NEQJZTKYAAWSPC-GUYCJALGSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000456371798 564603615 /nfs/dbraw/zinc/60/36/15/564603615.db2.gz NEQJZTKYAAWSPC-GUYCJALGSA-N 2 1 395.345 2.622 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)cs2)CC1 ZINC000520638917 564609257 /nfs/dbraw/zinc/60/92/57/564609257.db2.gz GQCRSDRDGVZAHS-UHFFFAOYSA-N 2 1 381.299 2.910 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066111 564637489 /nfs/dbraw/zinc/63/74/89/564637489.db2.gz UMRSVJGTJKPCCO-WMLDXEAASA-N 2 1 382.346 2.537 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000581598302 564809712 /nfs/dbraw/zinc/80/97/12/564809712.db2.gz APFRURCJMJCMNS-MAUKXSAKSA-N 2 1 385.961 2.578 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COc1cc(F)cc(Br)c1 ZINC000582296602 564839953 /nfs/dbraw/zinc/83/99/53/564839953.db2.gz OVHIVDDCSAPCQX-MRXNPFEDSA-N 2 1 387.293 2.544 20 0 GFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225928 564881638 /nfs/dbraw/zinc/88/16/38/564881638.db2.gz GYYOMRXPWFGNIZ-FUHWJXTLSA-N 2 1 378.314 2.964 20 0 GFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225928 564881642 /nfs/dbraw/zinc/88/16/42/564881642.db2.gz GYYOMRXPWFGNIZ-FUHWJXTLSA-N 2 1 378.314 2.964 20 0 GFADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312054 564929296 /nfs/dbraw/zinc/92/92/96/564929296.db2.gz NUWZJPRQEWOIRE-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312054 564929298 /nfs/dbraw/zinc/92/92/98/564929298.db2.gz NUWZJPRQEWOIRE-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312054 564929300 /nfs/dbraw/zinc/92/93/00/564929300.db2.gz NUWZJPRQEWOIRE-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312054 564929302 /nfs/dbraw/zinc/92/93/02/564929302.db2.gz NUWZJPRQEWOIRE-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470009884 565035591 /nfs/dbraw/zinc/03/55/91/565035591.db2.gz VDTVSEVRWKFJPI-CYBMUJFWSA-N 2 1 386.323 2.646 20 0 GFADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470009884 565035593 /nfs/dbraw/zinc/03/55/93/565035593.db2.gz VDTVSEVRWKFJPI-CYBMUJFWSA-N 2 1 386.323 2.646 20 0 GFADMP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000584349436 565076625 /nfs/dbraw/zinc/07/66/25/565076625.db2.gz VBZITOXPZLVCOO-CXAGYDPISA-N 2 1 380.330 2.528 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617504477 565242844 /nfs/dbraw/zinc/24/28/44/565242844.db2.gz XOMAKZYUAHZBPI-HNNXBMFYSA-N 2 1 396.373 2.869 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2cccc(Br)c2)CC1 ZINC000617504477 565242846 /nfs/dbraw/zinc/24/28/46/565242846.db2.gz XOMAKZYUAHZBPI-HNNXBMFYSA-N 2 1 396.373 2.869 20 0 GFADMP C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000617507898 565243670 /nfs/dbraw/zinc/24/36/70/565243670.db2.gz NYDKVQQMUVJUSJ-LSDHHAIUSA-N 2 1 384.362 2.941 20 0 GFADMP C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1cccc(Br)c1 ZINC000617507898 565243675 /nfs/dbraw/zinc/24/36/75/565243675.db2.gz NYDKVQQMUVJUSJ-LSDHHAIUSA-N 2 1 384.362 2.941 20 0 GFADMP CO[C@H](C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534731 565282011 /nfs/dbraw/zinc/28/20/11/565282011.db2.gz HSJNDLUDIUTCPT-GDBMZVCRSA-N 2 1 398.301 2.792 20 0 GFADMP CO[C@H](CN(CCn1ccnc1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534731 565282017 /nfs/dbraw/zinc/28/20/17/565282017.db2.gz HSJNDLUDIUTCPT-GDBMZVCRSA-N 2 1 398.301 2.792 20 0 GFADMP NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295701 565358866 /nfs/dbraw/zinc/35/88/66/565358866.db2.gz WMFBHFZMQHXHHN-DOTOQJQBSA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295701 565358868 /nfs/dbraw/zinc/35/88/68/565358868.db2.gz WMFBHFZMQHXHHN-DOTOQJQBSA-N 2 1 380.330 2.687 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318829 565360245 /nfs/dbraw/zinc/36/02/45/565360245.db2.gz HGWFNLNHDXUADU-LSDHHAIUSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318829 565360250 /nfs/dbraw/zinc/36/02/50/565360250.db2.gz HGWFNLNHDXUADU-LSDHHAIUSA-N 2 1 391.339 2.776 20 0 GFADMP CC1CC[NH+](CCCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662356373 565363553 /nfs/dbraw/zinc/36/35/53/565363553.db2.gz PDJNEUARCUWQLZ-UHFFFAOYSA-N 2 1 386.359 2.966 20 0 GFADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403449 565366124 /nfs/dbraw/zinc/36/61/24/565366124.db2.gz MCRSTTYAEQQYAO-WDEREUQCSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403449 565366127 /nfs/dbraw/zinc/36/61/27/565366127.db2.gz MCRSTTYAEQQYAO-WDEREUQCSA-N 2 1 386.359 2.964 20 0 GFADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662487073 565371080 /nfs/dbraw/zinc/37/10/80/565371080.db2.gz SALCVWFGSUKDPV-YOEHRIQHSA-N 2 1 380.330 2.639 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662487073 565371085 /nfs/dbraw/zinc/37/10/85/565371085.db2.gz SALCVWFGSUKDPV-YOEHRIQHSA-N 2 1 380.330 2.639 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662520890 565373362 /nfs/dbraw/zinc/37/33/62/565373362.db2.gz BBZCZXAEDMDOQT-QWRGUYRKSA-N 2 1 384.343 2.576 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004134 565392389 /nfs/dbraw/zinc/39/23/89/565392389.db2.gz PNZQMMDOBGHQID-WMLDXEAASA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004134 565392394 /nfs/dbraw/zinc/39/23/94/565392394.db2.gz PNZQMMDOBGHQID-WMLDXEAASA-N 2 1 380.330 2.687 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363327 565414940 /nfs/dbraw/zinc/41/49/40/565414940.db2.gz JEXMQVGINZKUDN-LSDHHAIUSA-N 2 1 389.323 2.576 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363113 565415156 /nfs/dbraw/zinc/41/51/56/565415156.db2.gz HKUWDPQQSZYTLR-JKSUJKDBSA-N 2 1 389.323 2.576 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644532054 565480158 /nfs/dbraw/zinc/48/01/58/565480158.db2.gz XCVUKBNMRLYSCH-RDJZCZTQSA-N 2 1 385.346 2.899 20 0 GFADMP Cc1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ncc1Br ZINC000623476846 565513449 /nfs/dbraw/zinc/51/34/49/565513449.db2.gz RDVLQVDVMRLGFJ-UHFFFAOYSA-N 2 1 379.302 2.778 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000629567999 565859444 /nfs/dbraw/zinc/85/94/44/565859444.db2.gz RIHOMJVVWHYLLE-CHWSQXEVSA-N 2 1 376.328 2.727 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346048 565922973 /nfs/dbraw/zinc/92/29/73/565922973.db2.gz RWVUMEHJHULPSR-YSVLISHTSA-N 2 1 396.329 2.606 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699930 566083169 /nfs/dbraw/zinc/08/31/69/566083169.db2.gz HZXBZAXGBSXXJD-GJZGRUSLSA-N 2 1 389.323 2.576 20 0 GFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737272016 599317369 /nfs/dbraw/zinc/31/73/69/599317369.db2.gz OZZLGZKUSOQBAQ-KSSFIOAISA-N 2 1 378.484 2.593 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2F)CC1 ZINC000826157675 608420494 /nfs/dbraw/zinc/42/04/94/608420494.db2.gz GTAARNRSRPOIRJ-UHFFFAOYSA-N 2 1 390.507 2.576 20 0 GFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 ZINC000826269121 609232889 /nfs/dbraw/zinc/23/28/89/609232889.db2.gz AVTJKYRIIYVLIE-KBXCAEBGSA-N 2 1 378.484 2.593 20 0 GFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)[nH+]1 ZINC000826269154 609348501 /nfs/dbraw/zinc/34/85/01/609348501.db2.gz BWJAVALZQFGPMR-CJNGLKHVSA-N 2 1 396.474 2.732 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1(C)C ZINC000817584039 660201752 /nfs/dbraw/zinc/20/17/52/660201752.db2.gz QPGCJBJOIBQCOW-CQSZACIVSA-N 2 1 387.391 2.972 20 0 GFADMP COc1cc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966567 660212773 /nfs/dbraw/zinc/21/27/73/660212773.db2.gz QCMPYPFADBQQGO-SJKOYZFVSA-N 2 1 376.469 2.732 20 0 GFADMP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)sc1Br ZINC000092615699 655014958 /nfs/dbraw/zinc/01/49/58/655014958.db2.gz CWQFIKVBXLVHJI-UHFFFAOYSA-N 2 1 388.375 2.709 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(N2CCC[N@H+](CC(N)=O)CC2)c1C ZINC000757841913 655917561 /nfs/dbraw/zinc/91/75/61/655917561.db2.gz GFGLGNCBTZWSGU-UHFFFAOYSA-N 2 1 391.313 2.612 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(N2CCC[N@@H+](CC(N)=O)CC2)c1C ZINC000757841913 655917563 /nfs/dbraw/zinc/91/75/63/655917563.db2.gz GFGLGNCBTZWSGU-UHFFFAOYSA-N 2 1 391.313 2.612 20 0 GFADMP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000760475076 655981990 /nfs/dbraw/zinc/98/19/90/655981990.db2.gz BHFDZZPEPIRVPV-QGZVFWFLSA-N 2 1 380.627 2.766 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000849098182 661692016 /nfs/dbraw/zinc/69/20/16/661692016.db2.gz FZQQOJDHJPVXSK-ZFWWWQNUSA-N 2 1 383.334 2.815 20 0 GFADMP Cc1sc(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1Br ZINC000873047729 662797400 /nfs/dbraw/zinc/79/74/00/662797400.db2.gz ASTBHUCMHSTXCU-UHFFFAOYSA-N 2 1 388.375 2.851 20 0 GFADMP CCOP(=O)(CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000876781577 662866278 /nfs/dbraw/zinc/86/62/78/662866278.db2.gz IBKZSSXYDSFCSM-ZWKOTPCHSA-N 2 1 375.494 2.600 20 0 GFADMP C[N@@H+]1CCN(CC[NH2+]Cc2nc(Cl)ccc2Br)CC1(C)C ZINC000877499478 662877297 /nfs/dbraw/zinc/87/72/97/662877297.db2.gz QFQCEVPQSJMPPK-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2nc(Cl)ccc2Br)CC1(C)C ZINC000877499478 662877298 /nfs/dbraw/zinc/87/72/98/662877298.db2.gz QFQCEVPQSJMPPK-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP Oc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1Br ZINC000903980336 663814979 /nfs/dbraw/zinc/81/49/79/663814979.db2.gz PCURQQANUSKXNU-IYBDPMFKSA-N 2 1 380.330 2.555 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431974 664794657 /nfs/dbraw/zinc/79/46/57/664794657.db2.gz RRCGJUGEPZXZEW-BHYGNILZSA-N 2 1 394.357 2.680 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431974 664794660 /nfs/dbraw/zinc/79/46/60/664794660.db2.gz RRCGJUGEPZXZEW-BHYGNILZSA-N 2 1 394.357 2.680 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431974 664794662 /nfs/dbraw/zinc/79/46/62/664794662.db2.gz RRCGJUGEPZXZEW-BHYGNILZSA-N 2 1 394.357 2.680 20 0 GFADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000931489193 664796249 /nfs/dbraw/zinc/79/62/49/664796249.db2.gz ZBXXOEZGQYZLMT-CYBMUJFWSA-N 2 1 388.339 2.559 20 0 GFADMP C[C@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cncs1 ZINC000934199076 664892004 /nfs/dbraw/zinc/89/20/04/664892004.db2.gz YGFDKFYBZJPYMT-AWEZNQCLSA-N 2 1 376.551 2.981 20 0 GFADMP Clc1nc2c(c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n1)C[NH2+]CC2 ZINC001164626186 719053265 /nfs/dbraw/zinc/05/32/65/719053265.db2.gz QYBNYAMTTRZHQI-APWZRJJASA-N 2 1 383.927 2.877 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)cc2N)c2c1CC[NH2+]C2 ZINC001164684576 719625504 /nfs/dbraw/zinc/62/55/04/719625504.db2.gz VEKSNBYYEMBHJN-UHFFFAOYSA-N 2 1 384.862 2.597 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)cc2N)c2c1CC[NH2+]C2 ZINC001164684576 719625516 /nfs/dbraw/zinc/62/55/16/719625516.db2.gz VEKSNBYYEMBHJN-UHFFFAOYSA-N 2 1 384.862 2.597 20 0 GFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164712497 720131667 /nfs/dbraw/zinc/13/16/67/720131667.db2.gz MUVLXLPYEXBCQD-OAQYLSRUSA-N 2 1 395.551 2.751 20 0 GFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1ncc(C)cc1C[NH3+])CC2 ZINC001164712496 720132992 /nfs/dbraw/zinc/13/29/92/720132992.db2.gz MUVLXLPYEXBCQD-NRFANRHFSA-N 2 1 395.551 2.751 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CCCn3c(=O)cc(C[N@H+](C)C(C)C)nc3C2)c1 ZINC001164813551 720227800 /nfs/dbraw/zinc/22/78/00/720227800.db2.gz OVLSCHBOYSGQNL-UHFFFAOYSA-N 2 1 385.512 2.676 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CCCn3c(=O)cc(C[N@@H+](C)C(C)C)nc3C2)c1 ZINC001164813551 720227812 /nfs/dbraw/zinc/22/78/12/720227812.db2.gz OVLSCHBOYSGQNL-UHFFFAOYSA-N 2 1 385.512 2.676 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724404 720480398 /nfs/dbraw/zinc/48/03/98/720480398.db2.gz FYTIEVCJXAMKIY-VXKWHMMOSA-N 2 1 393.535 2.708 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724406 720481854 /nfs/dbraw/zinc/48/18/54/720481854.db2.gz FYTIEVCJXAMKIY-YADHBBJMSA-N 2 1 393.535 2.708 20 0 GFADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834442 720504433 /nfs/dbraw/zinc/50/44/33/720504433.db2.gz GMRFXGLBOJTXGJ-XUVXKRRUSA-N 2 1 397.571 2.815 20 0 GFADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164995302 722191807 /nfs/dbraw/zinc/19/18/07/722191807.db2.gz UEUYBUVFAFJHAP-QFIPXVFZSA-N 2 1 381.499 2.549 20 0 GFADMP CC[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000128900763 551353308 /nfs/dbraw/zinc/35/33/08/551353308.db2.gz DHRGIIMVJPLBJC-UHFFFAOYSA-N 2 1 397.361 2.664 20 0 GFADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000128900763 551353311 /nfs/dbraw/zinc/35/33/11/551353311.db2.gz DHRGIIMVJPLBJC-UHFFFAOYSA-N 2 1 397.361 2.664 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152681967 551437891 /nfs/dbraw/zinc/43/78/91/551437891.db2.gz DPHFXADZFAPWNS-KEYYUXOJSA-N 2 1 382.346 2.887 20 0 GFADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000155187681 551494120 /nfs/dbraw/zinc/49/41/20/551494120.db2.gz HMMCEQZAEWZPRA-QGZVFWFLSA-N 2 1 379.595 2.920 20 0 GFADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000155187681 551494123 /nfs/dbraw/zinc/49/41/23/551494123.db2.gz HMMCEQZAEWZPRA-QGZVFWFLSA-N 2 1 379.595 2.920 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402458 551522217 /nfs/dbraw/zinc/52/22/17/551522217.db2.gz RHEHLBNFDWTYJO-CPUCHLNUSA-N 2 1 382.346 2.887 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)nc(C)[nH+]1 ZINC000162269895 551606122 /nfs/dbraw/zinc/60/61/22/551606122.db2.gz BVVIQJWBTOXIOC-ZDUSSCGKSA-N 2 1 393.333 2.700 20 0 GFADMP COc1cc(Br)ccc1CCC[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182290755 552280169 /nfs/dbraw/zinc/28/01/69/552280169.db2.gz WYFUTICMXMVJIS-UHFFFAOYSA-N 2 1 398.389 2.960 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000247071255 553117988 /nfs/dbraw/zinc/11/79/88/553117988.db2.gz VTAGPQRUJDCCJL-CVEARBPZSA-N 2 1 385.599 2.538 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261791948 553159127 /nfs/dbraw/zinc/15/91/27/553159127.db2.gz ZBDGVEBKGIRJAJ-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261791948 553159129 /nfs/dbraw/zinc/15/91/29/553159129.db2.gz ZBDGVEBKGIRJAJ-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP CN(C)c1ncc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000419725745 563248429 /nfs/dbraw/zinc/24/84/29/563248429.db2.gz JBTSBPYXMSVYET-AWEZNQCLSA-N 2 1 376.810 2.982 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161697 563357819 /nfs/dbraw/zinc/35/78/19/563357819.db2.gz OCKQVIVGUOYHPS-VBQJREDUSA-N 2 1 385.346 2.729 20 0 GFADMP Cc1c(Br)cccc1CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376630047 563448605 /nfs/dbraw/zinc/44/86/05/563448605.db2.gz YQBFMZLDTDCZLO-MRXNPFEDSA-N 2 1 394.357 2.585 20 0 GFADMP Cc1c(Br)cccc1CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376630047 563448609 /nfs/dbraw/zinc/44/86/09/563448609.db2.gz YQBFMZLDTDCZLO-MRXNPFEDSA-N 2 1 394.357 2.585 20 0 GFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000439438590 563724456 /nfs/dbraw/zinc/72/44/56/563724456.db2.gz KNCBMCXFJBNYQJ-KCXAZCMYSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000439438590 563724459 /nfs/dbraw/zinc/72/44/59/563724459.db2.gz KNCBMCXFJBNYQJ-KCXAZCMYSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438590 563724464 /nfs/dbraw/zinc/72/44/64/563724464.db2.gz KNCBMCXFJBNYQJ-KCXAZCMYSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438590 563724465 /nfs/dbraw/zinc/72/44/65/563724465.db2.gz KNCBMCXFJBNYQJ-KCXAZCMYSA-N 2 1 389.309 2.742 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676033 563750141 /nfs/dbraw/zinc/75/01/41/563750141.db2.gz HCZFKPBIFZINBX-AUUYWEPGSA-N 2 1 375.563 2.954 20 0 GFADMP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414769827 563752938 /nfs/dbraw/zinc/75/29/38/563752938.db2.gz XJDZIZCJNWCWLZ-JSGCOSHPSA-N 2 1 388.375 2.837 20 0 GFADMP Cc1[nH+]ccn1CCCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000294072922 563830607 /nfs/dbraw/zinc/83/06/07/563830607.db2.gz LDNHHXUBTPRZPA-QGZVFWFLSA-N 2 1 379.302 2.725 20 0 GFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556123 563882729 /nfs/dbraw/zinc/88/27/29/563882729.db2.gz FBSXEROLLYAINV-TYNCELHUSA-N 2 1 378.460 2.927 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556123 563882733 /nfs/dbraw/zinc/88/27/33/563882733.db2.gz FBSXEROLLYAINV-TYNCELHUSA-N 2 1 378.460 2.927 20 0 GFADMP [NH3+][C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417565656 563883219 /nfs/dbraw/zinc/88/32/19/563883219.db2.gz HEDUPFJCCKJCAC-KRWDZBQOSA-N 2 1 385.339 2.994 20 0 GFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000449242067 564177924 /nfs/dbraw/zinc/17/79/24/564177924.db2.gz DJLKFCBOBUDXJE-UHFFFAOYSA-N 2 1 378.314 2.934 20 0 GFADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000567314387 564366074 /nfs/dbraw/zinc/36/60/74/564366074.db2.gz IRNSUORJLZBWBM-LBPRGKRZSA-N 2 1 398.320 2.982 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567895599 564395567 /nfs/dbraw/zinc/39/55/67/564395567.db2.gz QIQDLBISUBQQLT-SNVBAGLBSA-N 2 1 388.320 2.950 20 0 GFADMP C[NH+](C)CCn1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)n1 ZINC000569137036 564450540 /nfs/dbraw/zinc/45/05/40/564450540.db2.gz CQYRJCLOQDXFSV-UHFFFAOYSA-N 2 1 394.317 2.521 20 0 GFADMP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000547825803 564512205 /nfs/dbraw/zinc/51/22/05/564512205.db2.gz BIGRBEHDTUPQHR-UHFFFAOYSA-N 2 1 397.361 2.909 20 0 GFADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677170 564662342 /nfs/dbraw/zinc/66/23/42/564662342.db2.gz OLDINTKANLWNFN-RDTXWAMCSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677170 564662344 /nfs/dbraw/zinc/66/23/44/564662344.db2.gz OLDINTKANLWNFN-RDTXWAMCSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252866 564695827 /nfs/dbraw/zinc/69/58/27/564695827.db2.gz PUXPTCOIQJBNLU-GJZGRUSLSA-N 2 1 391.339 2.824 20 0 GFADMP Oc1cccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000459422072 564744208 /nfs/dbraw/zinc/74/42/08/564744208.db2.gz CTGHUNOMGSLMFV-IBGZPJMESA-N 2 1 391.309 2.881 20 0 GFADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(Cl)cc1Br ZINC000527692981 564756480 /nfs/dbraw/zinc/75/64/80/564756480.db2.gz QMNLKJYQBYUJKH-GFCCVEGCSA-N 2 1 375.742 2.613 20 0 GFADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527858911 564763563 /nfs/dbraw/zinc/76/35/63/564763563.db2.gz NASXFWUDMOBVSI-LLVKDONJSA-N 2 1 390.272 2.542 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000462031879 564812387 /nfs/dbraw/zinc/81/23/87/564812387.db2.gz MDNDWUQWTHRZMP-MRXNPFEDSA-N 2 1 396.373 2.976 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1O ZINC000556964137 564848973 /nfs/dbraw/zinc/84/89/73/564848973.db2.gz GEINHKPIZMBWKP-KDOFPFPSSA-N 2 1 399.329 2.882 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(Br)cc1 ZINC000499524114 564929911 /nfs/dbraw/zinc/92/99/11/564929911.db2.gz UJBGLGPQGHUKED-GOSISDBHSA-N 2 1 396.373 2.866 20 0 GFADMP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000499568128 564931344 /nfs/dbraw/zinc/93/13/44/564931344.db2.gz AFGRUGMCHHORPZ-AWEZNQCLSA-N 2 1 397.361 2.663 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC(OCCC[NH3+])CC2)c(OC)c1 ZINC000469848257 565029491 /nfs/dbraw/zinc/02/94/91/565029491.db2.gz HRLMWHIZEPRKSX-UHFFFAOYSA-N 2 1 387.318 2.796 20 0 GFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)c1 ZINC000562737146 565040949 /nfs/dbraw/zinc/04/09/49/565040949.db2.gz LXQYZZPLHHFBHB-UHFFFAOYSA-N 2 1 381.929 2.729 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000584834333 565099986 /nfs/dbraw/zinc/09/99/86/565099986.db2.gz JUTGUNJFMLBUKL-HNNXBMFYSA-N 2 1 386.265 2.513 20 0 GFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000657594860 565111346 /nfs/dbraw/zinc/11/13/46/565111346.db2.gz DRSKBYVBOBYKAH-SFHVURJKSA-N 2 1 376.298 2.701 20 0 GFADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)s1 ZINC000638311729 565191217 /nfs/dbraw/zinc/19/12/17/565191217.db2.gz AWDQEAYDSNAENH-UHFFFAOYSA-N 2 1 379.551 2.671 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(F)cc1Br ZINC000617506203 565243630 /nfs/dbraw/zinc/24/36/30/565243630.db2.gz FMKHYQIDWCZCQU-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(F)c(F)cc1Br ZINC000617506203 565243633 /nfs/dbraw/zinc/24/36/33/565243633.db2.gz FMKHYQIDWCZCQU-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(Br)cc3Cl)nn2)CC1 ZINC000641015615 565342725 /nfs/dbraw/zinc/34/27/25/565342725.db2.gz SFNRVNTWXHRNKM-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP NC(=O)[C@@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295704 565359397 /nfs/dbraw/zinc/35/93/97/565359397.db2.gz WMFBHFZMQHXHHN-NVXWUHKLSA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295704 565359400 /nfs/dbraw/zinc/35/94/00/565359400.db2.gz WMFBHFZMQHXHHN-NVXWUHKLSA-N 2 1 380.330 2.687 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321197 565360584 /nfs/dbraw/zinc/36/05/84/565360584.db2.gz ZHAVIPXFEKTWCS-HOTGVXAUSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321197 565360590 /nfs/dbraw/zinc/36/05/90/565360590.db2.gz ZHAVIPXFEKTWCS-HOTGVXAUSA-N 2 1 391.339 2.776 20 0 GFADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)C[NH+]1CCCCC1 ZINC000662395031 565364619 /nfs/dbraw/zinc/36/46/19/565364619.db2.gz PBROTSAVSSAWAD-NSHDSACASA-N 2 1 386.359 2.966 20 0 GFADMP CC[NH+](CC)C[C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662481533 565371697 /nfs/dbraw/zinc/37/16/97/565371697.db2.gz IHVZAZJCOYZOQW-LLVKDONJSA-N 2 1 386.359 2.918 20 0 GFADMP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662499168 565373002 /nfs/dbraw/zinc/37/30/02/565373002.db2.gz WUCLGIPJPGSPIY-NSHDSACASA-N 2 1 386.359 2.822 20 0 GFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662499168 565373007 /nfs/dbraw/zinc/37/30/07/565373007.db2.gz WUCLGIPJPGSPIY-NSHDSACASA-N 2 1 386.359 2.822 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505966 565373035 /nfs/dbraw/zinc/37/30/35/565373035.db2.gz WRHNBMVODLPKSI-BVGQSLNGSA-N 2 1 392.341 2.924 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505966 565373038 /nfs/dbraw/zinc/37/30/38/565373038.db2.gz WRHNBMVODLPKSI-BVGQSLNGSA-N 2 1 392.341 2.924 20 0 GFADMP C[NH2+]Cc1ccccc1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662582531 565377907 /nfs/dbraw/zinc/37/79/07/565377907.db2.gz FOVDGQFEBVOWED-UHFFFAOYSA-N 2 1 380.311 2.763 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646103415 565586441 /nfs/dbraw/zinc/58/64/41/565586441.db2.gz RKHLVNXADMPKRB-CQSZACIVSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646103415 565586443 /nfs/dbraw/zinc/58/64/43/565586443.db2.gz RKHLVNXADMPKRB-CQSZACIVSA-N 2 1 389.323 2.530 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796144 565660725 /nfs/dbraw/zinc/66/07/25/565660725.db2.gz GTZRUOMVAHCDIA-SFHVURJKSA-N 2 1 378.314 2.854 20 0 GFADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1O ZINC000650707363 565833096 /nfs/dbraw/zinc/83/30/96/565833096.db2.gz DQHRPTAXRZFISI-JDFRZJQESA-N 2 1 399.329 2.882 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cn(-c2ccc(Br)cc2)nc1C ZINC000629652664 565865266 /nfs/dbraw/zinc/86/52/66/565865266.db2.gz BNZHDLYTHFEFAD-UHFFFAOYSA-N 2 1 381.318 2.611 20 0 GFADMP CC[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541433 598509709 /nfs/dbraw/zinc/50/97/09/598509709.db2.gz GCXHIUXUIRZWGF-UHFFFAOYSA-N 2 1 380.496 2.829 20 0 GFADMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194618 607499424 /nfs/dbraw/zinc/49/94/24/607499424.db2.gz QVLVXXVCZGHPKY-INIZCTEOSA-N 2 1 379.468 2.513 20 0 GFADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626129 609331891 /nfs/dbraw/zinc/33/18/91/609331891.db2.gz MGCLXVCXRQESCG-CQSZACIVSA-N 2 1 384.459 2.797 20 0 GFADMP CC(C)[NH+](CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)C(C)C ZINC000824288530 609340853 /nfs/dbraw/zinc/34/08/53/609340853.db2.gz IYACJMQGCZATHY-UHFFFAOYSA-N 2 1 396.543 2.866 20 0 GFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916522 660211890 /nfs/dbraw/zinc/21/18/90/660211890.db2.gz GYGALLBORQVFSG-GJZGRUSLSA-N 2 1 380.432 2.609 20 0 GFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000819128012 660247374 /nfs/dbraw/zinc/24/73/74/660247374.db2.gz DDUQLXGLHAFCHU-SFHVURJKSA-N 2 1 385.346 2.962 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000820080466 660280502 /nfs/dbraw/zinc/28/05/02/660280502.db2.gz BVBXLIAVSDKQIU-AWEZNQCLSA-N 2 1 397.361 2.746 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1Cc2ccc(Br)cc2C1 ZINC000820080466 660280505 /nfs/dbraw/zinc/28/05/05/660280505.db2.gz BVBXLIAVSDKQIU-AWEZNQCLSA-N 2 1 397.361 2.746 20 0 GFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000821219047 660318844 /nfs/dbraw/zinc/31/88/44/660318844.db2.gz CTQVWJOICMMUNF-UHFFFAOYSA-N 2 1 389.769 2.861 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127071392 654824017 /nfs/dbraw/zinc/82/40/17/654824017.db2.gz JXDNFXDGDNROFQ-HZPDHXFCSA-N 2 1 385.599 2.538 20 0 GFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)[nH+]1 ZINC000128155075 654841995 /nfs/dbraw/zinc/84/19/95/654841995.db2.gz OVHPTTYOQJWSSF-AWEZNQCLSA-N 2 1 378.318 2.996 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000580075320 655508134 /nfs/dbraw/zinc/50/81/34/655508134.db2.gz DTPWRMFBLJRCML-BHYGNILZSA-N 2 1 394.357 2.727 20 0 GFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@H]34)cc2)CC1 ZINC000775377424 656633752 /nfs/dbraw/zinc/63/37/52/656633752.db2.gz WYYSKUOSHPTOKS-HSALFYBXSA-N 2 1 377.623 2.903 20 0 GFADMP Cc1ccc(Br)nc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000786625207 657446572 /nfs/dbraw/zinc/44/65/72/657446572.db2.gz XMAYSAVXRMEZFH-UHFFFAOYSA-N 2 1 390.285 2.552 20 0 GFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000799177501 659171129 /nfs/dbraw/zinc/17/11/29/659171129.db2.gz REBAUJNHAHQXEH-KRWDZBQOSA-N 2 1 397.357 2.997 20 0 GFADMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000866702618 662490820 /nfs/dbraw/zinc/49/08/20/662490820.db2.gz DCORJOXSCLQFEJ-GOSISDBHSA-N 2 1 393.329 2.654 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871786242 662733717 /nfs/dbraw/zinc/73/37/17/662733717.db2.gz VWBDKMPLLYIXNP-YHWZYXNKSA-N 2 1 384.933 2.731 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871786242 662733721 /nfs/dbraw/zinc/73/37/21/662733721.db2.gz VWBDKMPLLYIXNP-YHWZYXNKSA-N 2 1 384.933 2.731 20 0 GFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000877497158 662877143 /nfs/dbraw/zinc/87/71/43/662877143.db2.gz HPKFTJDGMJDRNY-UHFFFAOYSA-N 2 1 378.318 2.800 20 0 GFADMP COCC[N@@H+](Cc1cc(OC)ncc1Br)CC1CC[NH+](C)CC1 ZINC000879125783 662918007 /nfs/dbraw/zinc/91/80/07/662918007.db2.gz IPTKKTOECCODTO-UHFFFAOYSA-N 2 1 386.334 2.643 20 0 GFADMP COCC[N@H+](Cc1cc(OC)ncc1Br)CC1CC[NH+](C)CC1 ZINC000879125783 662918012 /nfs/dbraw/zinc/91/80/12/662918012.db2.gz IPTKKTOECCODTO-UHFFFAOYSA-N 2 1 386.334 2.643 20 0 GFADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571933 662929810 /nfs/dbraw/zinc/92/98/10/662929810.db2.gz UROCOUPREPKSNT-LRDDRELGSA-N 2 1 384.293 2.943 20 0 GFADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571933 662929811 /nfs/dbraw/zinc/92/98/11/662929811.db2.gz UROCOUPREPKSNT-LRDDRELGSA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571933 662929813 /nfs/dbraw/zinc/92/98/13/662929813.db2.gz UROCOUPREPKSNT-LRDDRELGSA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571933 662929815 /nfs/dbraw/zinc/92/98/15/662929815.db2.gz UROCOUPREPKSNT-LRDDRELGSA-N 2 1 384.293 2.943 20 0 GFADMP c1csc([C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@@H](c4nccs4)C3)C2)n1 ZINC000880319223 662957827 /nfs/dbraw/zinc/95/78/27/662957827.db2.gz CZVYHLNBGNNMOO-HZPDHXFCSA-N 2 1 378.567 2.895 20 0 GFADMP C[C@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000903188955 663777631 /nfs/dbraw/zinc/77/76/31/663777631.db2.gz KYZAAFGOZQRPPT-ZDUSSCGKSA-N 2 1 381.318 2.974 20 0 GFADMP Brc1ccc([C@@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727909 663805270 /nfs/dbraw/zinc/80/52/70/663805270.db2.gz ZDJZUQDTEMHOIL-ROUUACIJSA-N 2 1 395.341 2.981 20 0 GFADMP Brc1ccc([C@@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727909 663805272 /nfs/dbraw/zinc/80/52/72/663805272.db2.gz ZDJZUQDTEMHOIL-ROUUACIJSA-N 2 1 395.341 2.981 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091020 663852252 /nfs/dbraw/zinc/85/22/52/663852252.db2.gz XDADFGCNXXWGGQ-DLBZAZTESA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091020 663852255 /nfs/dbraw/zinc/85/22/55/663852255.db2.gz XDADFGCNXXWGGQ-DLBZAZTESA-N 2 1 388.339 2.559 20 0 GFADMP O=C(NC1CC[NH+](Cc2cccc(Br)c2)CC1)C12CC[NH+](CC1)C2 ZINC000910581910 664215447 /nfs/dbraw/zinc/21/54/47/664215447.db2.gz SSPYYCIMGCOOIA-UHFFFAOYSA-N 2 1 392.341 2.626 20 0 GFADMP C[NH+](C)C[C@@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159159 664326861 /nfs/dbraw/zinc/32/68/61/664326861.db2.gz KEQYYYPHLDVYJV-AEFFLSMTSA-N 2 1 388.339 2.559 20 0 GFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388433 664598250 /nfs/dbraw/zinc/59/82/50/664598250.db2.gz DWJFCTIHMXREBG-ZJPYXAASSA-N 2 1 382.346 2.722 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330696 664628446 /nfs/dbraw/zinc/62/84/46/664628446.db2.gz CKBWTASHIXQQHX-BBRMVZONSA-N 2 1 389.721 2.528 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330696 664628447 /nfs/dbraw/zinc/62/84/47/664628447.db2.gz CKBWTASHIXQQHX-BBRMVZONSA-N 2 1 389.721 2.528 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878676 664698468 /nfs/dbraw/zinc/69/84/68/664698468.db2.gz HQLWWEOUARCSOY-FPHDVWFLSA-N 2 1 382.346 2.974 20 0 GFADMP CSCC1CC[NH+](CC(=O)NC[C@H](C)[NH+]2CCC(CSC)CC2)CC1 ZINC000932586540 664829582 /nfs/dbraw/zinc/82/95/82/664829582.db2.gz ZKYAMJOWVYUXOE-INIZCTEOSA-N 2 1 387.659 2.641 20 0 GFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@@H]5C[C@]5([NH3+])C4)c23)C1 ZINC001164422041 718888375 /nfs/dbraw/zinc/88/83/75/718888375.db2.gz ZKXDDPDUNJRRCJ-YPENRWOSSA-N 2 1 383.565 2.949 20 0 GFADMP COc1cccc(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c1 ZINC001164679552 719641244 /nfs/dbraw/zinc/64/12/44/719641244.db2.gz GGWYPDXWKFEVQJ-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1cccc(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)c1 ZINC001164679552 719641249 /nfs/dbraw/zinc/64/12/49/719641249.db2.gz GGWYPDXWKFEVQJ-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ncccc2F)[C@H]2CO[C@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692515 719759697 /nfs/dbraw/zinc/75/96/97/719759697.db2.gz UPUANANYQZCMOS-XMSQKQJNSA-N 2 1 397.498 2.869 20 0 GFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@H]2CCN3c2ccc3c([nH+]2)CCCC3)CC1 ZINC001164818641 720312989 /nfs/dbraw/zinc/31/29/89/720312989.db2.gz AXHWFZUQZFOCCB-NHCUHLMSSA-N 2 1 382.552 2.872 20 0 GFADMP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164740683 720812652 /nfs/dbraw/zinc/81/26/52/720812652.db2.gz ADDNSXPAAKQUGI-ABSDTBQOSA-N 2 1 377.496 2.534 20 0 GFADMP c1cc2c(cc[nH+]c2N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)[nH]1 ZINC001164740684 720812703 /nfs/dbraw/zinc/81/27/03/720812703.db2.gz ADDNSXPAAKQUGI-FUHIMQAGSA-N 2 1 377.496 2.534 20 0 GFADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@H]2C1 ZINC001164853573 720864215 /nfs/dbraw/zinc/86/42/15/720864215.db2.gz HNLVWOTVFXUBLC-UWJYYQICSA-N 2 1 385.508 2.725 20 0 GFADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@H]2C1 ZINC001164853573 720864216 /nfs/dbraw/zinc/86/42/16/720864216.db2.gz HNLVWOTVFXUBLC-UWJYYQICSA-N 2 1 385.508 2.725 20 0 GFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164779970 721349640 /nfs/dbraw/zinc/34/96/40/721349640.db2.gz XOWPFPLGUNUDEY-QFIPXVFZSA-N 2 1 399.539 2.871 20 0 GFADMP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151355353 551412097 /nfs/dbraw/zinc/41/20/97/551412097.db2.gz KUTQALFUKYUQKE-AWEZNQCLSA-N 2 1 398.345 2.603 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154345591 551472722 /nfs/dbraw/zinc/47/27/22/551472722.db2.gz JDYTUCUMVQKHLX-ZYHUDNBSSA-N 2 1 381.826 2.588 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cc3c2OCC3)CC1 ZINC000155811472 551508024 /nfs/dbraw/zinc/50/80/24/551508024.db2.gz FIPSEHJAOVJRCB-UHFFFAOYSA-N 2 1 382.346 2.501 20 0 GFADMP CC[NH+](CC)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174213529 552102459 /nfs/dbraw/zinc/10/24/59/552102459.db2.gz JZGZCPIISCCYOW-WBVHZDCISA-N 2 1 385.346 2.853 20 0 GFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174213529 552102462 /nfs/dbraw/zinc/10/24/62/552102462.db2.gz JZGZCPIISCCYOW-WBVHZDCISA-N 2 1 385.346 2.853 20 0 GFADMP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607063 553154148 /nfs/dbraw/zinc/15/41/48/553154148.db2.gz CWKCNXHNYVTBLH-AEFFLSMTSA-N 2 1 394.357 2.838 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636379 553154619 /nfs/dbraw/zinc/15/46/19/553154619.db2.gz HWNFNJQKQSMNBY-PBHICJAKSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636379 553154622 /nfs/dbraw/zinc/15/46/22/553154622.db2.gz HWNFNJQKQSMNBY-PBHICJAKSA-N 2 1 398.320 2.668 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788984 553159248 /nfs/dbraw/zinc/15/92/48/553159248.db2.gz PYBLBOKPDCDZPJ-RDTXWAMCSA-N 2 1 382.346 2.860 20 0 GFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731787 563348646 /nfs/dbraw/zinc/34/86/46/563348646.db2.gz MHLITCMFUORHAY-KBXCAEBGSA-N 2 1 390.325 2.727 20 0 GFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422947563 563351592 /nfs/dbraw/zinc/35/15/92/563351592.db2.gz YKVKZMSHXRZLSK-ZVZYQTTQSA-N 2 1 393.325 2.737 20 0 GFADMP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1c[nH+]ccc1N ZINC000423156083 563356652 /nfs/dbraw/zinc/35/66/52/563356652.db2.gz LZXMQYMSUJFAGW-WCQYABFASA-N 2 1 382.277 2.898 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161695 563357624 /nfs/dbraw/zinc/35/76/24/563357624.db2.gz OCKQVIVGUOYHPS-JKIFEVAISA-N 2 1 385.346 2.729 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272869 563513608 /nfs/dbraw/zinc/51/36/08/563513608.db2.gz LMHGVLLAHUBISO-GOSISDBHSA-N 2 1 394.357 2.826 20 0 GFADMP CC[N@H+](Cc1cc(Br)ccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751588 563751854 /nfs/dbraw/zinc/75/18/54/563751854.db2.gz SQXLILCKDWSZNC-ZDUSSCGKSA-N 2 1 386.309 2.607 20 0 GFADMP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741795 563751991 /nfs/dbraw/zinc/75/19/91/563751991.db2.gz FSFFAFCOJNMEHJ-ZIAGYGMSSA-N 2 1 380.330 2.566 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000414798913 563752621 /nfs/dbraw/zinc/75/26/21/563752621.db2.gz COABXDYSCVVCEV-KRWDZBQOSA-N 2 1 380.330 2.689 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1oc(Br)cc1C ZINC000505808084 564190740 /nfs/dbraw/zinc/19/07/40/564190740.db2.gz UZBWXTHHZFPCBH-CQSZACIVSA-N 2 1 386.334 2.839 20 0 GFADMP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)s1 ZINC000563607480 564199086 /nfs/dbraw/zinc/19/90/86/564199086.db2.gz SVUFKZBMUPLZNE-WMLDXEAASA-N 2 1 382.526 2.774 20 0 GFADMP COc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1Br ZINC000563708675 564203510 /nfs/dbraw/zinc/20/35/10/564203510.db2.gz MIUGKJDOPZIJQR-UHFFFAOYSA-N 2 1 384.362 2.916 20 0 GFADMP C[N@H+]1CCCC12CCN(C[C@@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266645 564307762 /nfs/dbraw/zinc/30/77/62/564307762.db2.gz JKJUZLCVIFZCTC-MRXNPFEDSA-N 2 1 383.330 2.749 20 0 GFADMP O=C(C[NH2+][C@@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000566088147 564308444 /nfs/dbraw/zinc/30/84/44/564308444.db2.gz CZSCYTHGSJZCJU-IBGZPJMESA-N 2 1 388.309 2.560 20 0 GFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000479295878 564435560 /nfs/dbraw/zinc/43/55/60/564435560.db2.gz XUGGWEGEPSCDKG-ZBFHGGJFSA-N 2 1 382.346 2.557 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000513969697 564443736 /nfs/dbraw/zinc/44/37/36/564443736.db2.gz BLCDQEGDXPENNO-IBGZPJMESA-N 2 1 375.563 2.921 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000513969697 564443740 /nfs/dbraw/zinc/44/37/40/564443740.db2.gz BLCDQEGDXPENNO-IBGZPJMESA-N 2 1 375.563 2.921 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000514213941 564448311 /nfs/dbraw/zinc/44/83/11/564448311.db2.gz JKVNWPBLCVXYJS-SFHVURJKSA-N 2 1 398.320 2.793 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453339434 564453858 /nfs/dbraw/zinc/45/38/58/564453858.db2.gz BVIHKJRZIWXAAB-GRDNDAEWSA-N 2 1 385.346 2.681 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000570162273 564494550 /nfs/dbraw/zinc/49/45/50/564494550.db2.gz IKCNLLUTLQEIEZ-AETAKHFUSA-N 2 1 394.357 2.855 20 0 GFADMP COc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000571047533 564533320 /nfs/dbraw/zinc/53/33/20/564533320.db2.gz VXLXAYMDYFFALQ-CQSZACIVSA-N 2 1 399.329 2.654 20 0 GFADMP COc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000571047533 564533323 /nfs/dbraw/zinc/53/33/23/564533323.db2.gz VXLXAYMDYFFALQ-CQSZACIVSA-N 2 1 399.329 2.654 20 0 GFADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467740 564639222 /nfs/dbraw/zinc/63/92/22/564639222.db2.gz VRUFAQQAUGEWPG-DOTOQJQBSA-N 2 1 396.329 2.606 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]21 ZINC000573685258 564649820 /nfs/dbraw/zinc/64/98/20/564649820.db2.gz ZMPGTZFLJDPEAG-OSAQELSMSA-N 2 1 384.293 2.976 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573920302 564659873 /nfs/dbraw/zinc/65/98/73/564659873.db2.gz KRLVUFNYGVXXAE-KBPBESRZSA-N 2 1 386.277 2.601 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000581598301 564809689 /nfs/dbraw/zinc/80/96/89/564809689.db2.gz APFRURCJMJCMNS-CRAIPNDOSA-N 2 1 385.961 2.578 20 0 GFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260480 564816302 /nfs/dbraw/zinc/81/63/02/564816302.db2.gz PMFBARNISIXBGO-HOTGVXAUSA-N 2 1 384.362 2.957 20 0 GFADMP C[NH+](C)C[C@@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387971 564833284 /nfs/dbraw/zinc/83/32/84/564833284.db2.gz RDYXOQPQPZOFDL-NVXWUHKLSA-N 2 1 391.318 2.939 20 0 GFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401381 564962834 /nfs/dbraw/zinc/96/28/34/564962834.db2.gz ZDBIAHYALJRZDI-ZWKOTPCHSA-N 2 1 383.330 2.573 20 0 GFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401381 564962835 /nfs/dbraw/zinc/96/28/35/564962835.db2.gz ZDBIAHYALJRZDI-ZWKOTPCHSA-N 2 1 383.330 2.573 20 0 GFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838214 565044612 /nfs/dbraw/zinc/04/46/12/565044612.db2.gz BTXUTPJLUQMYME-WMZOPIPTSA-N 2 1 396.329 2.606 20 0 GFADMP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000584408842 565079157 /nfs/dbraw/zinc/07/91/57/565079157.db2.gz HLMBWACOMCFWAO-KRWDZBQOSA-N 2 1 380.330 2.657 20 0 GFADMP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659324626 565213059 /nfs/dbraw/zinc/21/30/59/565213059.db2.gz HDVIAYVLACOUTC-CYBMUJFWSA-N 2 1 392.322 2.812 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000617507271 565243979 /nfs/dbraw/zinc/24/39/79/565243979.db2.gz PARPOVCTPMGURV-LBPRGKRZSA-N 2 1 383.949 2.793 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]nc1-c1ccc(Cl)s1 ZINC000617507271 565243981 /nfs/dbraw/zinc/24/39/81/565243981.db2.gz PARPOVCTPMGURV-LBPRGKRZSA-N 2 1 383.949 2.793 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318826 565360759 /nfs/dbraw/zinc/36/07/59/565360759.db2.gz HGWFNLNHDXUADU-CABCVRRESA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318826 565360765 /nfs/dbraw/zinc/36/07/65/565360765.db2.gz HGWFNLNHDXUADU-CABCVRRESA-N 2 1 391.339 2.776 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363111 565415070 /nfs/dbraw/zinc/41/50/70/565415070.db2.gz HKUWDPQQSZYTLR-HOTGVXAUSA-N 2 1 389.323 2.576 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701988 565553275 /nfs/dbraw/zinc/55/32/75/565553275.db2.gz VYOSKBRTANPPFO-YOEHRIQHSA-N 2 1 380.330 2.783 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccccc1Br)CCO2 ZINC000646106227 565586453 /nfs/dbraw/zinc/58/64/53/565586453.db2.gz SXDDUPPZEIPFGV-UHFFFAOYSA-N 2 1 396.329 2.574 20 0 GFADMP CC[N@@H+](C)C[C@@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214704 565606898 /nfs/dbraw/zinc/60/68/98/565606898.db2.gz NFEUQKGYEKCEGK-GUYCJALGSA-N 2 1 380.330 2.976 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000629568007 565859126 /nfs/dbraw/zinc/85/91/26/565859126.db2.gz RIHOMJVVWHYLLE-QWHCGFSZSA-N 2 1 376.328 2.727 20 0 GFADMP COc1c(Br)cc(C[N@@H+](C)CCOCC[NH3+])cc1Br ZINC000629665382 565866490 /nfs/dbraw/zinc/86/64/90/565866490.db2.gz VEJAWSDLFLWOSX-UHFFFAOYSA-N 2 1 396.123 2.627 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109525 565941987 /nfs/dbraw/zinc/94/19/87/565941987.db2.gz FTHWFKPCDFUQOA-DZGCQCFKSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000631109525 565941991 /nfs/dbraw/zinc/94/19/91/565941991.db2.gz FTHWFKPCDFUQOA-DZGCQCFKSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(Br)cc1Cl ZINC000631114489 565942815 /nfs/dbraw/zinc/94/28/15/565942815.db2.gz WIJVWCRSCOISJJ-LBPRGKRZSA-N 2 1 375.742 2.613 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000826157826 608378178 /nfs/dbraw/zinc/37/81/78/608378178.db2.gz NIZBGAACRMQEDT-UHFFFAOYSA-N 2 1 390.507 2.576 20 0 GFADMP C[NH+](C)CCOc1ccc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)cc1 ZINC000825870610 608519183 /nfs/dbraw/zinc/51/91/83/608519183.db2.gz UTWWHRSZNGIZLB-UHFFFAOYSA-N 2 1 392.507 2.972 20 0 GFADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201792 609444424 /nfs/dbraw/zinc/44/44/24/609444424.db2.gz DNLAMTNLWVDORQ-QFBILLFUSA-N 2 1 392.507 2.876 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@@H]4CO3)c2cc1Br ZINC000819910871 660274366 /nfs/dbraw/zinc/27/43/66/660274366.db2.gz BVGUGZRWAREVME-OLZOCXBDSA-N 2 1 392.297 2.703 20 0 GFADMP Cc1nc(Br)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000822337113 660343154 /nfs/dbraw/zinc/34/31/54/660343154.db2.gz NDHAPKUVGXAYMU-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1nc(Br)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000822337113 660343155 /nfs/dbraw/zinc/34/31/55/660343155.db2.gz NDHAPKUVGXAYMU-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP COCCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881027 654990138 /nfs/dbraw/zinc/99/01/38/654990138.db2.gz XSTSUGZDHZATGR-MSOLQXFVSA-N 2 1 385.346 2.963 20 0 GFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000107371566 655120435 /nfs/dbraw/zinc/12/04/35/655120435.db2.gz NGGVRDDITFCFNF-QGZVFWFLSA-N 2 1 382.346 2.540 20 0 GFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000114456776 655224545 /nfs/dbraw/zinc/22/45/45/655224545.db2.gz PFAZHFPLEIEUFX-UHFFFAOYSA-N 2 1 396.373 2.912 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CC[C@H](c2cccc(Br)c2)C1=O ZINC000839990138 661122604 /nfs/dbraw/zinc/12/26/04/661122604.db2.gz CYPOZUNDJJHFND-GOSISDBHSA-N 2 1 394.357 2.996 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000751997978 655838225 /nfs/dbraw/zinc/83/82/25/655838225.db2.gz KFXXJIYDOOANIT-CRAIPNDOSA-N 2 1 385.346 2.915 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000848192819 661631837 /nfs/dbraw/zinc/63/18/37/661631837.db2.gz JOOWWDCBWAZEIR-KRWDZBQOSA-N 2 1 376.372 2.883 20 0 GFADMP Cn1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)c(Br)n1 ZINC000858133744 662100408 /nfs/dbraw/zinc/10/04/08/662100408.db2.gz WRQVSXOUAVHXFS-UHFFFAOYSA-N 2 1 393.329 2.947 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)OCc1ccc(Br)cc1 ZINC000859216788 662145638 /nfs/dbraw/zinc/14/56/38/662145638.db2.gz FENKTJCNXUIOPG-AWEZNQCLSA-N 2 1 386.334 2.947 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)OCc1ccc(Br)cc1 ZINC000859216788 662145640 /nfs/dbraw/zinc/14/56/40/662145640.db2.gz FENKTJCNXUIOPG-AWEZNQCLSA-N 2 1 386.334 2.947 20 0 GFADMP C[NH2+][C@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329747 662873777 /nfs/dbraw/zinc/87/37/77/662873777.db2.gz XWCYFJIMPCVHKY-WBMJQRKESA-N 2 1 386.323 2.529 20 0 GFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000894360374 663457675 /nfs/dbraw/zinc/45/76/75/663457675.db2.gz ZXCBCZAMMYSEGZ-GDBMZVCRSA-N 2 1 392.345 2.968 20 0 GFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288472 664627387 /nfs/dbraw/zinc/62/73/87/664627387.db2.gz KEOKWXQLVJLAMI-OUCADQQQSA-N 2 1 391.737 2.901 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000923289634 664627602 /nfs/dbraw/zinc/62/76/02/664627602.db2.gz RFOZCLJGTJFJJG-SCDSUCTJSA-N 2 1 377.710 2.511 20 0 GFADMP [NH3+]C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371658 664629142 /nfs/dbraw/zinc/62/91/42/664629142.db2.gz CXBKMMZEDOJSSY-WBVHZDCISA-N 2 1 389.309 2.825 20 0 GFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@H](C)C1 ZINC000927008118 664702239 /nfs/dbraw/zinc/70/22/39/664702239.db2.gz NBRORGKMAFRTLW-NVXWUHKLSA-N 2 1 399.377 2.861 20 0 GFADMP CCOC(=O)c1nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164680151 719634188 /nfs/dbraw/zinc/63/41/88/719634188.db2.gz QERRHIFZIYDECF-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CCOC(=O)c1nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ccc1Cl ZINC001164680151 719634192 /nfs/dbraw/zinc/63/41/92/719634192.db2.gz QERRHIFZIYDECF-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832815 720518221 /nfs/dbraw/zinc/51/82/21/720518221.db2.gz BLMXYNJHEWLPCI-JENIJYKNSA-N 2 1 379.512 2.543 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164832815 720518224 /nfs/dbraw/zinc/51/82/24/720518224.db2.gz BLMXYNJHEWLPCI-JENIJYKNSA-N 2 1 379.512 2.543 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(C[NH+](C)C)ccn3)CC[C@@H]21 ZINC001164838752 720624874 /nfs/dbraw/zinc/62/48/74/720624874.db2.gz LMKBODYWJGPVFJ-HKBOAZHASA-N 2 1 382.556 2.718 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164761678 721096161 /nfs/dbraw/zinc/09/61/61/721096161.db2.gz CMWGITVRYRYXSB-RBUKOAKNSA-N 2 1 377.492 2.935 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164761678 721096166 /nfs/dbraw/zinc/09/61/66/721096166.db2.gz CMWGITVRYRYXSB-RBUKOAKNSA-N 2 1 377.492 2.935 20 0 GFADMP c1cncc(CO[C@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164867272 721114866 /nfs/dbraw/zinc/11/48/66/721114866.db2.gz XPAJIHDJLRQIOX-SFTDATJTSA-N 2 1 379.508 2.557 20 0 GFADMP C[NH+]1CCC(Oc2ccnc(N3CC[NH+](CCOc4ccccc4)CC3)c2)CC1 ZINC001165045004 721961247 /nfs/dbraw/zinc/96/12/47/721961247.db2.gz RVVIJINPAAFGNU-UHFFFAOYSA-N 2 1 396.535 2.756 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@H]32)nc1)C1CC1 ZINC001164958020 722051263 /nfs/dbraw/zinc/05/12/63/722051263.db2.gz AKWVNUUWJHTXMA-KKLQWCBXSA-N 2 1 393.535 2.976 20 0 GFADMP CN(C)c1cc[nH+]c(N2CCC3(CC2)COCC[N@@H+](Cc2ccncc2)C3)c1 ZINC001164962369 722055608 /nfs/dbraw/zinc/05/56/08/722055608.db2.gz DIAYADPQRXYQJB-UHFFFAOYSA-N 2 1 381.524 2.662 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1CCCn2cnc(COCC[NH+](C)C)c2C1 ZINC001165002279 722255606 /nfs/dbraw/zinc/25/56/06/722255606.db2.gz MYVOFSNBWKELAL-UHFFFAOYSA-N 2 1 397.527 2.697 20 0 GFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000359879406 206267779 /nfs/dbraw/zinc/26/77/79/206267779.db2.gz RVEPCCBCECMKEZ-INIZCTEOSA-N 2 1 375.542 2.964 20 0 GFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000359879406 206267783 /nfs/dbraw/zinc/26/77/83/206267783.db2.gz RVEPCCBCECMKEZ-INIZCTEOSA-N 2 1 375.542 2.964 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000156396758 551521585 /nfs/dbraw/zinc/52/15/85/551521585.db2.gz PDWRTZGPBCVFKA-PBHICJAKSA-N 2 1 382.346 2.889 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261705319 553156876 /nfs/dbraw/zinc/15/68/76/553156876.db2.gz PDPLJLOFQYENJR-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261705319 553156878 /nfs/dbraw/zinc/15/68/78/553156878.db2.gz PDPLJLOFQYENJR-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761712 553158454 /nfs/dbraw/zinc/15/84/54/553158454.db2.gz JTQUTVIRKPFEKW-HNAYVOBHSA-N 2 1 394.357 2.813 20 0 GFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958209 563351716 /nfs/dbraw/zinc/35/17/16/563351716.db2.gz XBUYMMWGHJXWGC-KDOFPFPSSA-N 2 1 390.325 2.727 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161698 563358054 /nfs/dbraw/zinc/35/80/54/563358054.db2.gz OCKQVIVGUOYHPS-ZQIUZPCESA-N 2 1 385.346 2.729 20 0 GFADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278701 563359195 /nfs/dbraw/zinc/35/91/95/563359195.db2.gz QFKUFNXFMOSYAF-RBZYPMLTSA-N 2 1 380.341 2.809 20 0 GFADMP COC[C@@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405352 563360284 /nfs/dbraw/zinc/36/02/84/563360284.db2.gz ZAFKGVQGSRHRJW-ZIAGYGMSSA-N 2 1 383.817 2.592 20 0 GFADMP CN(C)c1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(Br)cc2)n1C ZINC000425376487 563419554 /nfs/dbraw/zinc/41/95/54/563419554.db2.gz FLFLZPUINCQKSF-UHFFFAOYSA-N 2 1 394.361 2.812 20 0 GFADMP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604232 563546875 /nfs/dbraw/zinc/54/68/75/563546875.db2.gz PTDLJVUABONWLY-GJZGRUSLSA-N 2 1 380.330 2.654 20 0 GFADMP FC(F)(F)[C@H](C[NH2+]Cc1csc(-c2cccs2)n1)N1CC[NH2+]CC1 ZINC000414965944 563755559 /nfs/dbraw/zinc/75/55/59/563755559.db2.gz DBMRHYXLCUYCJH-ZDUSSCGKSA-N 2 1 376.473 2.797 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062704 563790426 /nfs/dbraw/zinc/79/04/26/563790426.db2.gz VCRMDSDVKBWMCT-LSDHHAIUSA-N 2 1 382.346 2.857 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1cccs1 ZINC000416017222 563802534 /nfs/dbraw/zinc/80/25/34/563802534.db2.gz XXDVFPUVLFZAHW-BNOWGMLFSA-N 2 1 378.464 2.710 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[NH+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266337 564183027 /nfs/dbraw/zinc/18/30/27/564183027.db2.gz NBUFXFWEKKCYNI-DLBZAZTESA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@H+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266337 564183030 /nfs/dbraw/zinc/18/30/30/564183030.db2.gz NBUFXFWEKKCYNI-DLBZAZTESA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@@H+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266337 564183034 /nfs/dbraw/zinc/18/30/34/564183034.db2.gz NBUFXFWEKKCYNI-DLBZAZTESA-N 2 1 381.611 2.774 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Br ZINC000505816752 564190950 /nfs/dbraw/zinc/19/09/50/564190950.db2.gz AOQZBXFCPLLRAG-CYBMUJFWSA-N 2 1 388.375 2.999 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519410 564194165 /nfs/dbraw/zinc/19/41/65/564194165.db2.gz OJEFXCMWRFGJQU-GDBMZVCRSA-N 2 1 397.313 2.896 20 0 GFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451086 564223953 /nfs/dbraw/zinc/22/39/53/564223953.db2.gz VOKRORJGMMNLFU-FUHWJXTLSA-N 2 1 397.357 2.853 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451086 564223955 /nfs/dbraw/zinc/22/39/55/564223955.db2.gz VOKRORJGMMNLFU-FUHWJXTLSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451086 564223958 /nfs/dbraw/zinc/22/39/58/564223958.db2.gz VOKRORJGMMNLFU-FUHWJXTLSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451086 564223961 /nfs/dbraw/zinc/22/39/61/564223961.db2.gz VOKRORJGMMNLFU-FUHWJXTLSA-N 2 1 397.357 2.853 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1F ZINC000508078129 564252795 /nfs/dbraw/zinc/25/27/95/564252795.db2.gz GZXIYEOLQINCKH-CQSZACIVSA-N 2 1 391.940 2.516 20 0 GFADMP Ic1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000511038150 564355048 /nfs/dbraw/zinc/35/50/48/564355048.db2.gz NVKIZUVJSAMYHG-CABCVRRESA-N 2 1 386.277 2.886 20 0 GFADMP O=C(C[N@H+]1CCC[C@]2(CCSC2)C1)N1CCN(Cc2cccs2)CC1 ZINC000451967278 564373215 /nfs/dbraw/zinc/37/32/15/564373215.db2.gz QPMAULBAOYLHPN-IBGZPJMESA-N 2 1 379.595 2.611 20 0 GFADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490106 564373876 /nfs/dbraw/zinc/37/38/76/564373876.db2.gz QPTYSFPBMILHGW-XOKHGSTOSA-N 2 1 377.535 2.636 20 0 GFADMP C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542104 564405300 /nfs/dbraw/zinc/40/53/00/564405300.db2.gz KPROFMMARLXJCE-FCLJQHQZSA-N 2 1 383.330 2.746 20 0 GFADMP C[NH+](C[C@@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512542104 564405304 /nfs/dbraw/zinc/40/53/04/564405304.db2.gz KPROFMMARLXJCE-FCLJQHQZSA-N 2 1 383.330 2.746 20 0 GFADMP C[NH+](C[C@@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512542104 564405308 /nfs/dbraw/zinc/40/53/08/564405308.db2.gz KPROFMMARLXJCE-FCLJQHQZSA-N 2 1 383.330 2.746 20 0 GFADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000569364028 564461065 /nfs/dbraw/zinc/46/10/65/564461065.db2.gz WZPVTAMQCCGJNF-ZDUSSCGKSA-N 2 1 378.929 2.750 20 0 GFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000482884370 564552288 /nfs/dbraw/zinc/55/22/88/564552288.db2.gz CEJWJXLQBNDOMW-WMLDXEAASA-N 2 1 382.346 2.727 20 0 GFADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393430 564592865 /nfs/dbraw/zinc/59/28/65/564592865.db2.gz JTDCDEVTUIWHSX-CZUORRHYSA-N 2 1 389.309 2.649 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752937 564609409 /nfs/dbraw/zinc/60/94/09/564609409.db2.gz PAJUVOREHAHMHE-GOEBONIOSA-N 2 1 391.339 2.824 20 0 GFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000572964684 564617552 /nfs/dbraw/zinc/61/75/52/564617552.db2.gz VMZOUDOCKPTEFF-UHFFFAOYSA-N 2 1 384.933 2.659 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[S@@](=O)c1cc(Cl)ccc1Cl ZINC000492995919 564805549 /nfs/dbraw/zinc/80/55/49/564805549.db2.gz UBFVMSYTFIRUFX-XMMPIXPASA-N 2 1 392.396 2.670 20 0 GFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260487 564815948 /nfs/dbraw/zinc/81/59/48/564815948.db2.gz PMFBARNISIXBGO-JKSUJKDBSA-N 2 1 384.362 2.957 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)cc3c2OCC3)CC1 ZINC000462796240 564858978 /nfs/dbraw/zinc/85/89/78/564858978.db2.gz LUPBOEVZXQEBDB-UHFFFAOYSA-N 2 1 383.330 2.927 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1Br ZINC000563096334 565055377 /nfs/dbraw/zinc/05/53/77/565055377.db2.gz BCGYTPSKBWSIIG-NSHDSACASA-N 2 1 392.301 2.563 20 0 GFADMP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1Br ZINC000684892368 565086782 /nfs/dbraw/zinc/08/67/82/565086782.db2.gz JPEKGJKSUVBPSF-GOSISDBHSA-N 2 1 376.298 2.917 20 0 GFADMP CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1Br ZINC000684892368 565086786 /nfs/dbraw/zinc/08/67/86/565086786.db2.gz JPEKGJKSUVBPSF-GOSISDBHSA-N 2 1 376.298 2.917 20 0 GFADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657870769 565135084 /nfs/dbraw/zinc/13/50/84/565135084.db2.gz QFDVWUHNCPAWST-KRWDZBQOSA-N 2 1 382.346 2.524 20 0 GFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000638670834 565207237 /nfs/dbraw/zinc/20/72/37/565207237.db2.gz LQAZUZRYUIFPGT-QAPCUYQASA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000638670834 565207241 /nfs/dbraw/zinc/20/72/41/565207241.db2.gz LQAZUZRYUIFPGT-QAPCUYQASA-N 2 1 379.551 2.568 20 0 GFADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313020 565211682 /nfs/dbraw/zinc/21/16/82/565211682.db2.gz BZXWFSWXYLIBRQ-PWSUYJOCSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313020 565211686 /nfs/dbraw/zinc/21/16/86/565211686.db2.gz BZXWFSWXYLIBRQ-PWSUYJOCSA-N 2 1 384.343 2.670 20 0 GFADMP CO[C@H](C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534732 565281228 /nfs/dbraw/zinc/28/12/28/565281228.db2.gz HSJNDLUDIUTCPT-GOEBONIOSA-N 2 1 398.301 2.792 20 0 GFADMP CO[C@H](CN(CCn1ccnc1)Cc1ccc(Br)o1)[C@H]1CCOC1 ZINC000660534732 565281235 /nfs/dbraw/zinc/28/12/35/565281235.db2.gz HSJNDLUDIUTCPT-GOEBONIOSA-N 2 1 398.301 2.792 20 0 GFADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1c(Cl)cccc1Cl ZINC000662154787 565353248 /nfs/dbraw/zinc/35/32/48/565353248.db2.gz ZJNNMAMJWXXVQM-AWEZNQCLSA-N 2 1 386.323 2.853 20 0 GFADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1c(Cl)cccc1Cl ZINC000662154787 565353250 /nfs/dbraw/zinc/35/32/50/565353250.db2.gz ZJNNMAMJWXXVQM-AWEZNQCLSA-N 2 1 386.323 2.853 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319418 565360497 /nfs/dbraw/zinc/36/04/97/565360497.db2.gz MUTCZCQLPNZJJH-HOCLYGCPSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319418 565360502 /nfs/dbraw/zinc/36/05/02/565360502.db2.gz MUTCZCQLPNZJJH-HOCLYGCPSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH2+][C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489215 565371640 /nfs/dbraw/zinc/37/16/40/565371640.db2.gz KJWOYTRBOMYQKJ-GOEBONIOSA-N 2 1 376.353 2.807 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698229 565382429 /nfs/dbraw/zinc/38/24/29/565382429.db2.gz JWVWXRHINOQBKA-BBRMVZONSA-N 2 1 375.460 2.618 20 0 GFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662692285 565382448 /nfs/dbraw/zinc/38/24/48/565382448.db2.gz CRSAWDDCUOEHNM-NSHDSACASA-N 2 1 386.359 2.964 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363112 565415197 /nfs/dbraw/zinc/41/51/97/565415197.db2.gz HKUWDPQQSZYTLR-HZPDHXFCSA-N 2 1 389.323 2.576 20 0 GFADMP Ic1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594992845 565439749 /nfs/dbraw/zinc/43/97/49/565439749.db2.gz KKPKUSJKEYEMDW-MRXNPFEDSA-N 2 1 386.277 2.634 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1Br ZINC000644151581 565461403 /nfs/dbraw/zinc/46/14/03/565461403.db2.gz ZACWBAFEHGAJPM-GFCCVEGCSA-N 2 1 376.245 2.694 20 0 GFADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cccc(Br)c1 ZINC000644636815 565486627 /nfs/dbraw/zinc/48/66/27/565486627.db2.gz XWBCBNCBIAGZKX-JCYILVPMSA-N 2 1 383.330 2.795 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632306 565486655 /nfs/dbraw/zinc/48/66/55/565486655.db2.gz WIYPOGKDEVDGBV-LSDHHAIUSA-N 2 1 391.339 2.824 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CCO2 ZINC000646103478 565586933 /nfs/dbraw/zinc/58/69/33/565586933.db2.gz VPWRMNHZEYASIX-AWEZNQCLSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1c(Cl)cccc1Cl)CCO2 ZINC000646103478 565586937 /nfs/dbraw/zinc/58/69/37/565586937.db2.gz VPWRMNHZEYASIX-AWEZNQCLSA-N 2 1 389.323 2.530 20 0 GFADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214708 565607232 /nfs/dbraw/zinc/60/72/32/565607232.db2.gz NFEUQKGYEKCEGK-SUMWQHHRSA-N 2 1 380.330 2.976 20 0 GFADMP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939748 566219443 /nfs/dbraw/zinc/21/94/43/566219443.db2.gz KNBDBLJNSLCKPO-VVLHAWIVSA-N 2 1 383.989 2.890 20 0 GFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265455 598870579 /nfs/dbraw/zinc/87/05/79/598870579.db2.gz AZNSURGMIVRIMY-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265455 598870580 /nfs/dbraw/zinc/87/05/80/598870580.db2.gz AZNSURGMIVRIMY-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265455 598870581 /nfs/dbraw/zinc/87/05/81/598870581.db2.gz AZNSURGMIVRIMY-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265455 598870582 /nfs/dbraw/zinc/87/05/82/598870582.db2.gz AZNSURGMIVRIMY-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736859257 598511538 /nfs/dbraw/zinc/51/15/38/598511538.db2.gz YBKCSNCZGUUFRU-LJQANCHMSA-N 2 1 392.507 2.877 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)[nH+]1 ZINC000822206917 606622519 /nfs/dbraw/zinc/62/25/19/606622519.db2.gz CVFRBVJHWSDSLM-CQSZACIVSA-N 2 1 378.484 2.593 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705036 606914943 /nfs/dbraw/zinc/91/49/43/606914943.db2.gz RQHKVEQICCGNDB-UWJYYQICSA-N 2 1 398.555 2.877 20 0 GFADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419390 608211853 /nfs/dbraw/zinc/21/18/53/608211853.db2.gz OPISRNQGQKKVDR-NRFANRHFSA-N 2 1 398.555 2.734 20 0 GFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)[nH+]1 ZINC000826269153 609348586 /nfs/dbraw/zinc/34/85/86/609348586.db2.gz BWJAVALZQFGPMR-BBRMVZONSA-N 2 1 396.474 2.732 20 0 GFADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201791 609444445 /nfs/dbraw/zinc/44/44/45/609444445.db2.gz DNLAMTNLWVDORQ-LPHOPBHVSA-N 2 1 392.507 2.876 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819043102 660244313 /nfs/dbraw/zinc/24/43/13/660244313.db2.gz PGYLBKURFBMFAR-QGZVFWFLSA-N 2 1 388.339 2.559 20 0 GFADMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cnc1Br ZINC000822493564 660346795 /nfs/dbraw/zinc/34/67/95/660346795.db2.gz YGXYXWMIIXDBJJ-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cnc1Br ZINC000822493564 660346797 /nfs/dbraw/zinc/34/67/97/660346797.db2.gz YGXYXWMIIXDBJJ-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Br)o1 ZINC000750735583 655816730 /nfs/dbraw/zinc/81/67/30/655816730.db2.gz YXLYKOIWSDKMGE-WKTRQSJXSA-N 2 1 398.345 2.930 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000842678285 661348656 /nfs/dbraw/zinc/34/86/56/661348656.db2.gz CIKYJHHVHKUWPX-AWEZNQCLSA-N 2 1 376.726 2.824 20 0 GFADMP Brc1cccc(Cc2noc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000843363914 661378667 /nfs/dbraw/zinc/37/86/67/661378667.db2.gz URKJQSCYUJXXOR-UHFFFAOYSA-N 2 1 391.313 2.998 20 0 GFADMP Brc1cccc(Cc2noc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000843363914 661378670 /nfs/dbraw/zinc/37/86/70/661378670.db2.gz URKJQSCYUJXXOR-UHFFFAOYSA-N 2 1 391.313 2.998 20 0 GFADMP O=C1[C@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Br)c1 ZINC000843364557 661378899 /nfs/dbraw/zinc/37/88/99/661378899.db2.gz HHWQAYIJRCWHFL-MRXNPFEDSA-N 2 1 378.314 2.630 20 0 GFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852018589 661849323 /nfs/dbraw/zinc/84/93/23/661849323.db2.gz NRZYJASFCVUPSZ-INIZCTEOSA-N 2 1 392.345 2.931 20 0 GFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852018589 661849326 /nfs/dbraw/zinc/84/93/26/661849326.db2.gz NRZYJASFCVUPSZ-INIZCTEOSA-N 2 1 392.345 2.931 20 0 GFADMP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000870987683 662712368 /nfs/dbraw/zinc/71/23/68/662712368.db2.gz AFPGVPMRMOBEMQ-MRXNPFEDSA-N 2 1 386.359 2.951 20 0 GFADMP O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027974 662754139 /nfs/dbraw/zinc/75/41/39/662754139.db2.gz OPQPZXYOFXTQEA-NXHRZFHOSA-N 2 1 383.330 2.573 20 0 GFADMP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872028697 662754163 /nfs/dbraw/zinc/75/41/63/662754163.db2.gz SAJZEHZLGOJRBY-LPHOPBHVSA-N 2 1 397.357 2.963 20 0 GFADMP CC(C)C[N@H+](Cc1ccc(S(=O)(=O)N(C)C)s1)CC1CC[NH+](C)CC1 ZINC000879703431 662937260 /nfs/dbraw/zinc/93/72/60/662937260.db2.gz MECGIYVQXQDANS-UHFFFAOYSA-N 2 1 387.615 2.798 20 0 GFADMP O[C@@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccc(Br)cc1 ZINC000903776930 663806780 /nfs/dbraw/zinc/80/67/80/663806780.db2.gz YPTHJRMGYQJYRH-RCCFBDPRSA-N 2 1 395.341 2.716 20 0 GFADMP O[C@@H]1CC[N@@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccc(Br)cc1 ZINC000903776930 663806783 /nfs/dbraw/zinc/80/67/83/663806783.db2.gz YPTHJRMGYQJYRH-RCCFBDPRSA-N 2 1 395.341 2.716 20 0 GFADMP FC(F)(F)c1nc(Br)c2n1CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903831383 663807750 /nfs/dbraw/zinc/80/77/50/663807750.db2.gz ITDVMWWIRGHDIL-SNVBAGLBSA-N 2 1 381.240 2.870 20 0 GFADMP FC(F)(F)c1nc(Br)c2n1CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000903831383 663807751 /nfs/dbraw/zinc/80/77/51/663807751.db2.gz ITDVMWWIRGHDIL-SNVBAGLBSA-N 2 1 381.240 2.870 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000904410965 663833352 /nfs/dbraw/zinc/83/33/52/663833352.db2.gz RXWDDUAXUDHJNX-HUUCEWRRSA-N 2 1 382.346 2.702 20 0 GFADMP C[C@@H]1C[C@H](C[N@@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469019 663835291 /nfs/dbraw/zinc/83/52/91/663835291.db2.gz HZZCNUDPYJVFHK-NXEZZACHSA-N 2 1 381.240 2.868 20 0 GFADMP C[C@@H]1C[C@H](C[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469019 663835293 /nfs/dbraw/zinc/83/52/93/663835293.db2.gz HZZCNUDPYJVFHK-NXEZZACHSA-N 2 1 381.240 2.868 20 0 GFADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911855079 664259068 /nfs/dbraw/zinc/25/90/68/664259068.db2.gz HBHSKXWBVPPCKD-APPDUMDISA-N 2 1 392.297 2.794 20 0 GFADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@@H]1C(C)C ZINC000922392722 664599097 /nfs/dbraw/zinc/59/90/97/664599097.db2.gz GQGKDUIGZQZEMZ-MPTQWLOMSA-N 2 1 388.375 2.865 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@@H]1C(C)C ZINC000922392722 664599106 /nfs/dbraw/zinc/59/91/06/664599106.db2.gz GQGKDUIGZQZEMZ-MPTQWLOMSA-N 2 1 388.375 2.865 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395155 664599305 /nfs/dbraw/zinc/59/93/05/664599305.db2.gz UJHGHYZWIVMYOW-BRSBDYLESA-N 2 1 382.346 2.804 20 0 GFADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355228 664628895 /nfs/dbraw/zinc/62/88/95/664628895.db2.gz HZHAAJYEXVYYPN-IUODEOHRSA-N 2 1 377.710 2.513 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500489 664631330 /nfs/dbraw/zinc/63/13/30/664631330.db2.gz RLOPHSRDTSOWAY-FMKPAKJESA-N 2 1 382.346 2.713 20 0 GFADMP Cn1ncc(I)c1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925727477 664674176 /nfs/dbraw/zinc/67/41/76/664674176.db2.gz FMQJTRLNMQVRKO-CQSZACIVSA-N 2 1 384.265 2.595 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878687 664698486 /nfs/dbraw/zinc/69/84/86/664698486.db2.gz HQLWWEOUARCSOY-UUWMRLDISA-N 2 1 382.346 2.974 20 0 GFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@@H](C)C1 ZINC000927008114 664702214 /nfs/dbraw/zinc/70/22/14/664702214.db2.gz NBRORGKMAFRTLW-DOTOQJQBSA-N 2 1 399.377 2.861 20 0 GFADMP C[N@H+](C[C@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922143 677673326 /nfs/dbraw/zinc/67/33/26/677673326.db2.gz OSBWJYWWVBGTCD-IBGZPJMESA-N 2 1 397.357 2.885 20 0 GFADMP C[N@@H+](C[C@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922143 677673327 /nfs/dbraw/zinc/67/33/27/677673327.db2.gz OSBWJYWWVBGTCD-IBGZPJMESA-N 2 1 397.357 2.885 20 0 GFADMP C[NH+](C[C@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922143 677673328 /nfs/dbraw/zinc/67/33/28/677673328.db2.gz OSBWJYWWVBGTCD-IBGZPJMESA-N 2 1 397.357 2.885 20 0 GFADMP C[NH+](C[C@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922143 677673329 /nfs/dbraw/zinc/67/33/29/677673329.db2.gz OSBWJYWWVBGTCD-IBGZPJMESA-N 2 1 397.357 2.885 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3nc(C4CC4)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164680609 719648323 /nfs/dbraw/zinc/64/83/23/719648323.db2.gz YFWQTNXYMSWIOV-UHFFFAOYSA-N 2 1 393.495 2.681 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3nc(C4CC4)no3)ccn2)c2c1CC[NH2+]C2 ZINC001164680609 719648335 /nfs/dbraw/zinc/64/83/35/719648335.db2.gz YFWQTNXYMSWIOV-UHFFFAOYSA-N 2 1 393.495 2.681 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ncccc2F)[C@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692512 719760131 /nfs/dbraw/zinc/76/01/31/719760131.db2.gz UPUANANYQZCMOS-GCJKJVERSA-N 2 1 397.498 2.869 20 0 GFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2CC[NH2+]CC4)CC3)cs1 ZINC001164690874 719803552 /nfs/dbraw/zinc/80/35/52/719803552.db2.gz BKFDPCFNVADCOP-UHFFFAOYSA-N 2 1 398.580 2.565 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805923 720077729 /nfs/dbraw/zinc/07/77/29/720077729.db2.gz AVEMAAPEVADFHS-SIKLNZKXSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805923 720077731 /nfs/dbraw/zinc/07/77/31/720077731.db2.gz AVEMAAPEVADFHS-SIKLNZKXSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805923 720077734 /nfs/dbraw/zinc/07/77/34/720077734.db2.gz AVEMAAPEVADFHS-SIKLNZKXSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816078 720165594 /nfs/dbraw/zinc/16/55/94/720165594.db2.gz KGLNPPAWRYYBCW-GMAHTHKFSA-N 2 1 384.568 2.862 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773893 721183775 /nfs/dbraw/zinc/18/37/75/721183775.db2.gz XXPVLMVXNIQODL-ZWKOTPCHSA-N 2 1 379.512 2.704 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773893 721183778 /nfs/dbraw/zinc/18/37/78/721183778.db2.gz XXPVLMVXNIQODL-ZWKOTPCHSA-N 2 1 379.512 2.704 20 0 GFADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164879867 721184277 /nfs/dbraw/zinc/18/42/77/721184277.db2.gz UWFIIYRFECTUEM-VXKWHMMOSA-N 2 1 393.535 2.552 20 0 GFADMP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164789845 721464163 /nfs/dbraw/zinc/46/41/63/721464163.db2.gz XRIFBVRNMIMNQD-IBGZPJMESA-N 2 1 388.556 2.706 20 0 GFADMP COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164789845 721464164 /nfs/dbraw/zinc/46/41/64/721464164.db2.gz XRIFBVRNMIMNQD-IBGZPJMESA-N 2 1 388.556 2.706 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1CC[C@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982360 722107453 /nfs/dbraw/zinc/10/74/53/722107453.db2.gz NZCNGVGWOZPRFT-GHTZIAJQSA-N 2 1 377.492 2.696 20 0 GFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)cn1 ZINC000126392658 551329279 /nfs/dbraw/zinc/32/92/79/551329279.db2.gz WDWDCINQYGVWBX-LBPRGKRZSA-N 2 1 375.274 2.713 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402586 551522512 /nfs/dbraw/zinc/52/25/12/551522512.db2.gz RHEHLBNFDWTYJO-KEYYUXOJSA-N 2 1 382.346 2.887 20 0 GFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188699532 552452805 /nfs/dbraw/zinc/45/28/05/552452805.db2.gz IGYZBDJYCNAMHL-OAHLLOKOSA-N 2 1 382.346 2.717 20 0 GFADMP Cc1ccc(Br)cc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000190295756 552491881 /nfs/dbraw/zinc/49/18/81/552491881.db2.gz AWPFKFIKMAHWNB-UHFFFAOYSA-N 2 1 390.329 2.589 20 0 GFADMP C[C@@H](O)CC[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)CC[C@H](C)O ZINC000192073672 552548812 /nfs/dbraw/zinc/54/88/12/552548812.db2.gz AUJKOYUYRVSDBO-LSDHHAIUSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@@H](O)CC[N@@H+](C)Cc1cc(Br)ccc1C[NH+](C)CC[C@H](C)O ZINC000192073672 552548814 /nfs/dbraw/zinc/54/88/14/552548814.db2.gz AUJKOYUYRVSDBO-LSDHHAIUSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@@H](O)CC[N@H+](C)Cc1cc(Br)ccc1C[NH+](C)CC[C@H](C)O ZINC000192073672 552548817 /nfs/dbraw/zinc/54/88/17/552548817.db2.gz AUJKOYUYRVSDBO-LSDHHAIUSA-N 2 1 387.362 2.855 20 0 GFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311061 553120772 /nfs/dbraw/zinc/12/07/72/553120772.db2.gz QYCUQKVFTLFISL-ZBFHGGJFSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311061 553120774 /nfs/dbraw/zinc/12/07/74/553120774.db2.gz QYCUQKVFTLFISL-ZBFHGGJFSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311061 553120775 /nfs/dbraw/zinc/12/07/75/553120775.db2.gz QYCUQKVFTLFISL-ZBFHGGJFSA-N 2 1 395.345 2.979 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684263 553155701 /nfs/dbraw/zinc/15/57/01/553155701.db2.gz NABIKDPJOLWUFG-QAPCUYQASA-N 2 1 394.357 2.838 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261791937 553159143 /nfs/dbraw/zinc/15/91/43/553159143.db2.gz ZBDGVEBKGIRJAJ-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261791937 553159146 /nfs/dbraw/zinc/15/91/46/553159146.db2.gz ZBDGVEBKGIRJAJ-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP CC[NH+](Cc1cc(Br)ccc1C[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325454 /nfs/dbraw/zinc/32/54/54/564325454.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 2 1 387.362 2.855 20 0 GFADMP CC[NH+](Cc1ccc(Br)cc1C[N@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325459 /nfs/dbraw/zinc/32/54/59/564325459.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 2 1 387.362 2.855 20 0 GFADMP CC[NH+](Cc1ccc(Br)cc1C[N@@H+](CC)C[C@H](C)O)C[C@H](C)O ZINC000510096547 564325465 /nfs/dbraw/zinc/32/54/65/564325465.db2.gz BXWIZANMCXBXPK-GJZGRUSLSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423091749 563354965 /nfs/dbraw/zinc/35/49/65/563354965.db2.gz YPRBQYOXIDGXIN-MRCXROJRSA-N 2 1 394.684 2.787 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2cc1Br ZINC000425230558 563413605 /nfs/dbraw/zinc/41/36/05/563413605.db2.gz CIWOORVGYCLJHH-CHWSQXEVSA-N 2 1 394.313 2.897 20 0 GFADMP CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435689990 563656240 /nfs/dbraw/zinc/65/62/40/563656240.db2.gz ATVDUECAQAEUJD-CQSZACIVSA-N 2 1 375.460 2.713 20 0 GFADMP CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435689990 563656244 /nfs/dbraw/zinc/65/62/44/563656244.db2.gz ATVDUECAQAEUJD-CQSZACIVSA-N 2 1 375.460 2.713 20 0 GFADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438850026 563712708 /nfs/dbraw/zinc/71/27/08/563712708.db2.gz UATMMORTMGPSPW-INIZCTEOSA-N 2 1 389.309 2.744 20 0 GFADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438850026 563712712 /nfs/dbraw/zinc/71/27/12/563712712.db2.gz UATMMORTMGPSPW-INIZCTEOSA-N 2 1 389.309 2.744 20 0 GFADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000439444012 563725870 /nfs/dbraw/zinc/72/58/70/563725870.db2.gz BGSHVEAVEUXADS-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000439444012 563725872 /nfs/dbraw/zinc/72/58/72/563725872.db2.gz BGSHVEAVEUXADS-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000439444012 563725874 /nfs/dbraw/zinc/72/58/74/563725874.db2.gz BGSHVEAVEUXADS-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746137 563752039 /nfs/dbraw/zinc/75/20/39/563752039.db2.gz LSLHVFVNLNXVKU-ZFWWWQNUSA-N 2 1 383.334 2.868 20 0 GFADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746137 563752040 /nfs/dbraw/zinc/75/20/40/563752040.db2.gz LSLHVFVNLNXVKU-ZFWWWQNUSA-N 2 1 383.334 2.868 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444263282 563826322 /nfs/dbraw/zinc/82/63/22/563826322.db2.gz FAUSRXXGZMJZNX-PKOBYXMFSA-N 2 1 392.341 2.529 20 0 GFADMP C[NH2+]C[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417891381 563890974 /nfs/dbraw/zinc/89/09/74/563890974.db2.gz OZNJAGMBYJYSMJ-AWEZNQCLSA-N 2 1 397.361 2.568 20 0 GFADMP C[C@@H](CCC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417886762 563891013 /nfs/dbraw/zinc/89/10/13/563891013.db2.gz KHFSBUMIFNQZBY-AWEZNQCLSA-N 2 1 397.361 2.840 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772758 564190129 /nfs/dbraw/zinc/19/01/29/564190129.db2.gz MRJQNJQJBGGEMU-SFHVURJKSA-N 2 1 396.373 2.866 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1cc(Br)ccc1F ZINC000449600583 564190922 /nfs/dbraw/zinc/19/09/22/564190922.db2.gz ONHOTBBHVPBLMZ-CYBMUJFWSA-N 2 1 396.304 2.990 20 0 GFADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Nc1ccc(Br)cc1 ZINC000567876743 564393537 /nfs/dbraw/zinc/39/35/37/564393537.db2.gz YCWROUKTXWTVGP-KRWDZBQOSA-N 2 1 398.345 2.604 20 0 GFADMP [NH3+]CCc1nc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+]2CCCC2)cs1 ZINC000567968192 564399000 /nfs/dbraw/zinc/39/90/00/564399000.db2.gz KZFPRSXUUOXWSJ-INIZCTEOSA-N 2 1 378.929 2.865 20 0 GFADMP C[N@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCN(CCO)CC1 ZINC000513578942 564432971 /nfs/dbraw/zinc/43/29/71/564432971.db2.gz SDIYJKNTNYPKBM-UHFFFAOYSA-N 2 1 393.329 2.523 20 0 GFADMP C[N@@H+](Cc1cnn(-c2ccc(Br)cc2)c1)C1CCN(CCO)CC1 ZINC000513578942 564432975 /nfs/dbraw/zinc/43/29/75/564432975.db2.gz SDIYJKNTNYPKBM-UHFFFAOYSA-N 2 1 393.329 2.523 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000453346457 564454090 /nfs/dbraw/zinc/45/40/90/564454090.db2.gz FKSCMFKNOSVHBN-JTOWHCCKSA-N 2 1 399.373 2.927 20 0 GFADMP Brc1ccc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000480387072 564471013 /nfs/dbraw/zinc/47/10/13/564471013.db2.gz UCDLSHRZUXPTAV-UHFFFAOYSA-N 2 1 379.302 2.739 20 0 GFADMP Cn1ccnc1[C@@H]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979746 564662962 /nfs/dbraw/zinc/66/29/62/564662962.db2.gz SUJBZUAJOIPILA-CQSZACIVSA-N 2 1 381.307 2.875 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000552227510 564682820 /nfs/dbraw/zinc/68/28/20/564682820.db2.gz AVIKOPBNZJQLKL-BBWFWOEESA-N 2 1 385.599 2.741 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000552227510 564682824 /nfs/dbraw/zinc/68/28/24/564682824.db2.gz AVIKOPBNZJQLKL-BBWFWOEESA-N 2 1 385.599 2.741 20 0 GFADMP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000574651628 564683674 /nfs/dbraw/zinc/68/36/74/564683674.db2.gz SEZDVVWERBXTHZ-OAHLLOKOSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000574651628 564683678 /nfs/dbraw/zinc/68/36/78/564683678.db2.gz SEZDVVWERBXTHZ-OAHLLOKOSA-N 2 1 394.357 2.872 20 0 GFADMP CCN1CC[NH+]([C@@H]2CCN(Cc3cc(Br)cc(F)c3F)C2)CC1 ZINC000575752908 564703137 /nfs/dbraw/zinc/70/31/37/564703137.db2.gz QLHXFFCXFKPTFK-OAHLLOKOSA-N 2 1 388.300 2.939 20 0 GFADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527654244 564752666 /nfs/dbraw/zinc/75/26/66/564752666.db2.gz SFDLLMMBQVWJJM-ZDUSSCGKSA-N 2 1 389.769 2.861 20 0 GFADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(I)c1OC ZINC000491545856 564792234 /nfs/dbraw/zinc/79/22/34/564792234.db2.gz LIQVTOPWZZEQRW-LLVKDONJSA-N 2 1 392.281 2.596 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)ccc1Cl ZINC000497534411 564870293 /nfs/dbraw/zinc/87/02/93/564870293.db2.gz QHNUAHYRZLSORQ-MRXNPFEDSA-N 2 1 387.977 2.685 20 0 GFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225930 564881912 /nfs/dbraw/zinc/88/19/12/564881912.db2.gz GYYOMRXPWFGNIZ-WMZOPIPTSA-N 2 1 378.314 2.964 20 0 GFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225930 564881913 /nfs/dbraw/zinc/88/19/13/564881913.db2.gz GYYOMRXPWFGNIZ-WMZOPIPTSA-N 2 1 378.314 2.964 20 0 GFADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000583753488 564905868 /nfs/dbraw/zinc/90/58/68/564905868.db2.gz JWKNDTNPAIJFSH-VUCTXSBTSA-N 2 1 396.329 2.604 20 0 GFADMP C[N@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000499960029 564941978 /nfs/dbraw/zinc/94/19/78/564941978.db2.gz ZQQVYOJCULBUDZ-INIZCTEOSA-N 2 1 389.309 2.746 20 0 GFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)COc1cc(F)cc(Br)c1 ZINC000499960029 564941980 /nfs/dbraw/zinc/94/19/80/564941980.db2.gz ZQQVYOJCULBUDZ-INIZCTEOSA-N 2 1 389.309 2.746 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1F ZINC000560029998 564945702 /nfs/dbraw/zinc/94/57/02/564945702.db2.gz ZXZGTFHRMBBOQO-HNNXBMFYSA-N 2 1 391.940 2.516 20 0 GFADMP COC(=O)c1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(Br)c1 ZINC000560258566 564955464 /nfs/dbraw/zinc/95/54/64/564955464.db2.gz NGAVRQFPYCZSFZ-UHFFFAOYSA-N 2 1 399.329 2.778 20 0 GFADMP CC[N@H+](CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1)CC1CC1 ZINC000638276587 565190048 /nfs/dbraw/zinc/19/00/48/565190048.db2.gz SRBKIHZBHDCAIE-UHFFFAOYSA-N 2 1 385.599 2.730 20 0 GFADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)s2)CC1)CC1CC1 ZINC000638276587 565190050 /nfs/dbraw/zinc/19/00/50/565190050.db2.gz SRBKIHZBHDCAIE-UHFFFAOYSA-N 2 1 385.599 2.730 20 0 GFADMP [NH3+][C@H](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)Cc1ccccc1 ZINC000638883275 565215943 /nfs/dbraw/zinc/21/59/43/565215943.db2.gz ZLORBECOINBCEQ-GFCCVEGCSA-N 2 1 394.338 2.804 20 0 GFADMP Cc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000617503319 565242173 /nfs/dbraw/zinc/24/21/73/565242173.db2.gz DVQVSJUIFIMBRF-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP Cc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000617503319 565242179 /nfs/dbraw/zinc/24/21/79/565242179.db2.gz DVQVSJUIFIMBRF-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br ZINC000662344459 565361715 /nfs/dbraw/zinc/36/17/15/565361715.db2.gz YYCRURYIJNISMQ-GOSISDBHSA-N 2 1 388.309 2.793 20 0 GFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662386860 565364163 /nfs/dbraw/zinc/36/41/63/565364163.db2.gz OCHTZOSQNIWSJQ-JKIFEVAISA-N 2 1 382.346 2.933 20 0 GFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662386860 565364172 /nfs/dbraw/zinc/36/41/72/565364172.db2.gz OCHTZOSQNIWSJQ-JKIFEVAISA-N 2 1 382.346 2.933 20 0 GFADMP FC(F)Oc1cccc(Cl)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000666898663 565562029 /nfs/dbraw/zinc/56/20/29/565562029.db2.gz WYMYEBZKQOVKKJ-CYBMUJFWSA-N 2 1 387.780 2.867 20 0 GFADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647938477 565684845 /nfs/dbraw/zinc/68/48/45/565684845.db2.gz OGGHCUMKDAMDCS-FRFSOERESA-N 2 1 382.346 2.855 20 0 GFADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647938477 565684850 /nfs/dbraw/zinc/68/48/50/565684850.db2.gz OGGHCUMKDAMDCS-FRFSOERESA-N 2 1 382.346 2.855 20 0 GFADMP CCO[C@@H]1C[N@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652356396 565924711 /nfs/dbraw/zinc/92/47/11/565924711.db2.gz HAAAGNSJZYGTLR-RHSMWYFYSA-N 2 1 391.313 2.702 20 0 GFADMP CCO[C@@H]1C[N@@H+](Cc2ccnc(-c3ccc(Br)cc3)n2)C[C@H]1C[NH3+] ZINC000652356396 565924717 /nfs/dbraw/zinc/92/47/17/565924717.db2.gz HAAAGNSJZYGTLR-RHSMWYFYSA-N 2 1 391.313 2.702 20 0 GFADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(F)cc1Br ZINC000631067666 565938774 /nfs/dbraw/zinc/93/87/74/565938774.db2.gz DVZLPOFHTAGYPD-AWEZNQCLSA-N 2 1 389.309 2.923 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000824826918 660403029 /nfs/dbraw/zinc/40/30/29/660403029.db2.gz TZLOXZOKCZHQSX-ZDUSSCGKSA-N 2 1 397.361 2.723 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cnc1C1CC1 ZINC000824826918 660403030 /nfs/dbraw/zinc/40/30/30/660403030.db2.gz TZLOXZOKCZHQSX-ZDUSSCGKSA-N 2 1 397.361 2.723 20 0 GFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000111231209 655166802 /nfs/dbraw/zinc/16/68/02/655166802.db2.gz HJSCKBRBNNNYBI-GOSISDBHSA-N 2 1 396.373 2.930 20 0 GFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000111231209 655166807 /nfs/dbraw/zinc/16/68/07/655166807.db2.gz HJSCKBRBNNNYBI-GOSISDBHSA-N 2 1 396.373 2.930 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749325 655428486 /nfs/dbraw/zinc/42/84/86/655428486.db2.gz XEJLJECEGUYMRL-UKRRQHHQSA-N 2 1 391.313 2.533 20 0 GFADMP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000760485559 655982361 /nfs/dbraw/zinc/98/23/61/655982361.db2.gz INLVDNPGDLBYNQ-WMZOPIPTSA-N 2 1 380.627 2.937 20 0 GFADMP O[C@@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000786440144 657428981 /nfs/dbraw/zinc/42/89/81/657428981.db2.gz GKWDHKNICAHWTP-LJQANCHMSA-N 2 1 397.357 2.887 20 0 GFADMP O[C@@H](C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000786440144 657428992 /nfs/dbraw/zinc/42/89/92/657428992.db2.gz GKWDHKNICAHWTP-LJQANCHMSA-N 2 1 397.357 2.887 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844903154 661448966 /nfs/dbraw/zinc/44/89/66/661448966.db2.gz TYEWLDGIBKRNEJ-GVXVVHGQSA-N 2 1 380.842 2.811 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844903154 661448968 /nfs/dbraw/zinc/44/89/68/661448968.db2.gz TYEWLDGIBKRNEJ-GVXVVHGQSA-N 2 1 380.842 2.811 20 0 GFADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599027 661667273 /nfs/dbraw/zinc/66/72/73/661667273.db2.gz ATZHRRYYVIOTOU-GFCCVEGCSA-N 2 1 381.307 2.829 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000849088013 661691433 /nfs/dbraw/zinc/69/14/33/661691433.db2.gz NGGFZPOZNVOQDB-HIFRSBDPSA-N 2 1 383.334 2.815 20 0 GFADMP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1sc2c(c1Br)C[NH2+]C2 ZINC000851634783 661826947 /nfs/dbraw/zinc/82/69/47/661826947.db2.gz GLQWBDFXDSSSBF-ZDUSSCGKSA-N 2 1 392.322 2.731 20 0 GFADMP C[C@H](c1cccc(Br)c1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547826 662336244 /nfs/dbraw/zinc/33/62/44/662336244.db2.gz LIUFDNLZHAUDHD-JLZZUVOBSA-N 2 1 394.313 2.767 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccnc2Br)c2cccs2)CC1 ZINC000865399775 662419035 /nfs/dbraw/zinc/41/90/35/662419035.db2.gz XEGDDLPWLCDJIA-OAHLLOKOSA-N 2 1 395.370 2.984 20 0 GFADMP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000878127170 662890301 /nfs/dbraw/zinc/89/03/01/662890301.db2.gz ATURUOMWZOFEOA-UHFFFAOYSA-N 2 1 394.357 2.623 20 0 GFADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2sc(N3CCOCC3)nc2Cl)c1 ZINC000894383294 663459282 /nfs/dbraw/zinc/45/92/82/663459282.db2.gz FKDZJYCWUNTKLI-UHFFFAOYSA-N 2 1 380.945 2.985 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[NH2+]CC2(C)C)CC1 ZINC000902440898 663761324 /nfs/dbraw/zinc/76/13/24/663761324.db2.gz BBFXSDDWOHOLRT-KRWDZBQOSA-N 2 1 394.357 2.950 20 0 GFADMP Brc1ccc(OCCCC[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000903751070 663805978 /nfs/dbraw/zinc/80/59/78/663805978.db2.gz DMFDDQKERFEALW-QGZVFWFLSA-N 2 1 382.346 2.588 20 0 GFADMP COc1ccc(Br)cc1C[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877006 663809782 /nfs/dbraw/zinc/80/97/82/663809782.db2.gz JVMCSKOJJNJYDC-CQSZACIVSA-N 2 1 395.345 2.749 20 0 GFADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877006 663809783 /nfs/dbraw/zinc/80/97/83/663809783.db2.gz JVMCSKOJJNJYDC-CQSZACIVSA-N 2 1 395.345 2.749 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372336 663868327 /nfs/dbraw/zinc/86/83/27/663868327.db2.gz JXBFGXREQGPXBX-FZKQIMNGSA-N 2 1 384.307 2.671 20 0 GFADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479465 664631122 /nfs/dbraw/zinc/63/11/22/664631122.db2.gz PKDJMUZCXVZFBI-YPMHNXCESA-N 2 1 377.710 2.513 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827141 664924998 /nfs/dbraw/zinc/92/49/98/664924998.db2.gz OCUUASVLUUTVFR-MRXNPFEDSA-N 2 1 399.276 2.900 20 0 GFADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(N5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164631474 719090274 /nfs/dbraw/zinc/09/02/74/719090274.db2.gz YHXGRDLRMSEOGD-IFMALSPDSA-N 2 1 377.536 2.592 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)cc(-c3ccncc3)n2)c2c1CC[NH2+]C2 ZINC001164684535 719650054 /nfs/dbraw/zinc/65/00/54/719650054.db2.gz XVEHVLCOLSDRBI-UHFFFAOYSA-N 2 1 397.914 2.864 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)cc(-c3ccncc3)n2)c2c1CC[NH2+]C2 ZINC001164684535 719650069 /nfs/dbraw/zinc/65/00/69/719650069.db2.gz XVEHVLCOLSDRBI-UHFFFAOYSA-N 2 1 397.914 2.864 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738008 720823807 /nfs/dbraw/zinc/82/38/07/720823807.db2.gz DIGPCEOZLWCVGH-RZUBCFFCSA-N 2 1 392.551 2.931 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738008 720823812 /nfs/dbraw/zinc/82/38/12/720823812.db2.gz DIGPCEOZLWCVGH-RZUBCFFCSA-N 2 1 392.551 2.931 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCOCC3)[nH+]1)[C@H]2C ZINC001164858094 720985431 /nfs/dbraw/zinc/98/54/31/720985431.db2.gz GWMLCMPCKOGJCT-KRWDZBQOSA-N 2 1 384.528 2.536 20 0 GFADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873530 721159331 /nfs/dbraw/zinc/15/93/31/721159331.db2.gz INHIJPPKBYLYEU-FGZHOGPDSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873530 721159334 /nfs/dbraw/zinc/15/93/34/721159334.db2.gz INHIJPPKBYLYEU-FGZHOGPDSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873530 721159340 /nfs/dbraw/zinc/15/93/40/721159340.db2.gz INHIJPPKBYLYEU-FGZHOGPDSA-N 2 1 393.535 2.551 20 0 GFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3cc(N)c(C)c[nH+]3)C2)C1 ZINC001164787755 721364391 /nfs/dbraw/zinc/36/43/91/721364391.db2.gz ZUWYPCUUNLLJOP-OAQYLSRUSA-N 2 1 385.512 2.696 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164889516 721417392 /nfs/dbraw/zinc/41/73/92/721417392.db2.gz RIFPLFJKBSJFFH-XMSQKQJNSA-N 2 1 383.540 2.637 20 0 GFADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)[nH+]cc21 ZINC001164781273 721423955 /nfs/dbraw/zinc/42/39/55/721423955.db2.gz DAKGAKGMAOVWON-OKILXGFUSA-N 2 1 397.504 2.764 20 0 GFADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)[nH+]cc21 ZINC001164781273 721423958 /nfs/dbraw/zinc/42/39/58/721423958.db2.gz DAKGAKGMAOVWON-OKILXGFUSA-N 2 1 397.504 2.764 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982054 722124049 /nfs/dbraw/zinc/12/40/49/722124049.db2.gz VUMFNNHCPNPIFD-FPOVZHCZSA-N 2 1 382.508 2.991 20 0 GFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164985504 722130366 /nfs/dbraw/zinc/13/03/66/722130366.db2.gz ZRJXBKIRFQOACY-IFMALSPDSA-N 2 1 393.535 2.804 20 0 GFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284717 552137568 /nfs/dbraw/zinc/13/75/68/552137568.db2.gz QSIYXVSDEJQCRO-RDJZCZTQSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284717 552137569 /nfs/dbraw/zinc/13/75/69/552137569.db2.gz QSIYXVSDEJQCRO-RDJZCZTQSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284717 552137571 /nfs/dbraw/zinc/13/75/71/552137571.db2.gz QSIYXVSDEJQCRO-RDJZCZTQSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284717 552137572 /nfs/dbraw/zinc/13/75/72/552137572.db2.gz QSIYXVSDEJQCRO-RDJZCZTQSA-N 2 1 385.346 2.853 20 0 GFADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533450 552260060 /nfs/dbraw/zinc/26/00/60/552260060.db2.gz LSRJVPZLAVIAAK-DOTOQJQBSA-N 2 1 385.599 2.659 20 0 GFADMP CCCn1ccnc1CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1 ZINC000191484880 552529780 /nfs/dbraw/zinc/52/97/80/552529780.db2.gz FUMYEADDEYQLIN-UHFFFAOYSA-N 2 1 394.317 2.954 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246944430 553116015 /nfs/dbraw/zinc/11/60/15/553116015.db2.gz HVUIGYVOSBEYTL-YOEHRIQHSA-N 2 1 382.346 2.889 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)[C@@H](C)C1 ZINC000248157925 553127769 /nfs/dbraw/zinc/12/77/69/553127769.db2.gz RRAOKPACQXSWIC-ZOBUZTSGSA-N 2 1 387.366 2.761 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261670841 553155629 /nfs/dbraw/zinc/15/56/29/553155629.db2.gz LSGBDBWNLFMBMR-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261670841 553155632 /nfs/dbraw/zinc/15/56/32/553155632.db2.gz LSGBDBWNLFMBMR-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261670839 553155761 /nfs/dbraw/zinc/15/57/61/553155761.db2.gz LSGBDBWNLFMBMR-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261670839 553155763 /nfs/dbraw/zinc/15/57/63/553155763.db2.gz LSGBDBWNLFMBMR-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261665686 553155887 /nfs/dbraw/zinc/15/58/87/553155887.db2.gz LCWDXDOFNMDYEW-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261665686 553155888 /nfs/dbraw/zinc/15/58/88/553155888.db2.gz LCWDXDOFNMDYEW-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684255 553155902 /nfs/dbraw/zinc/15/59/02/553155902.db2.gz NABIKDPJOLWUFG-CRAIPNDOSA-N 2 1 394.357 2.838 20 0 GFADMP C[N@@H+](CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000261664052 553156111 /nfs/dbraw/zinc/15/61/11/553156111.db2.gz FLNUCVYCGITHAP-IBGZPJMESA-N 2 1 390.325 2.871 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261705321 553156432 /nfs/dbraw/zinc/15/64/32/553156432.db2.gz PDPLJLOFQYENJR-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261705321 553156434 /nfs/dbraw/zinc/15/64/34/553156434.db2.gz PDPLJLOFQYENJR-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1Br ZINC000505816753 564190490 /nfs/dbraw/zinc/19/04/90/564190490.db2.gz AOQZBXFCPLLRAG-ZDUSSCGKSA-N 2 1 388.375 2.999 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1cccs1 ZINC000370266543 563238766 /nfs/dbraw/zinc/23/87/66/563238766.db2.gz VEMMYNXJYSVZGZ-UHFFFAOYSA-N 2 1 385.599 2.565 20 0 GFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187533 563326150 /nfs/dbraw/zinc/32/61/50/563326150.db2.gz CTCWGJIKJWBUJC-DYVFJYSZSA-N 2 1 385.961 2.773 20 0 GFADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187533 563326153 /nfs/dbraw/zinc/32/61/53/563326153.db2.gz CTCWGJIKJWBUJC-DYVFJYSZSA-N 2 1 385.961 2.773 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423153894 563357166 /nfs/dbraw/zinc/35/71/66/563357166.db2.gz IJYNUJVPOYDEAN-OCCSQVGLSA-N 2 1 394.313 2.767 20 0 GFADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280878284 563358948 /nfs/dbraw/zinc/35/89/48/563358948.db2.gz OFBGMWNYTJKUOQ-MRXNPFEDSA-N 2 1 384.933 2.884 20 0 GFADMP Cc1[nH+]ccn1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101056 563404532 /nfs/dbraw/zinc/40/45/32/563404532.db2.gz XLHPGGBLZWKEKE-UHFFFAOYSA-N 2 1 394.317 2.591 20 0 GFADMP COc1cc2[nH+]ccc(N3C[C@H](C)[N@@H+](CCO)C[C@@H]3C)c2cc1Br ZINC000425265444 563415787 /nfs/dbraw/zinc/41/57/87/563415787.db2.gz DPYOYGNRVBVIMZ-STQMWFEESA-N 2 1 394.313 2.897 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@H]3CCC[N@@H+]3CCCO)c2cc1Br ZINC000425266023 563415810 /nfs/dbraw/zinc/41/58/10/563415810.db2.gz GQBFIPVANBBQGE-CYBMUJFWSA-N 2 1 394.313 2.687 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@H]3CCC[N@H+]3CCCO)c2cc1Br ZINC000425266023 563415812 /nfs/dbraw/zinc/41/58/12/563415812.db2.gz GQBFIPVANBBQGE-CYBMUJFWSA-N 2 1 394.313 2.687 20 0 GFADMP [NH3+][C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000332534043 563603644 /nfs/dbraw/zinc/60/36/44/563603644.db2.gz SBPRRNYTSNZXEA-MRXNPFEDSA-N 2 1 395.345 2.546 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2OC)CC1 ZINC000411624050 563626609 /nfs/dbraw/zinc/62/66/09/563626609.db2.gz XGNWNDQIBHOAGI-ZDUSSCGKSA-N 2 1 398.345 2.709 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711315 563751080 /nfs/dbraw/zinc/75/10/80/563751080.db2.gz SGMVUWVWJUMLMT-LBPRGKRZSA-N 2 1 386.359 2.672 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000414753380 563751756 /nfs/dbraw/zinc/75/17/56/563751756.db2.gz DMFBZGPDYLUHLW-QWHCGFSZSA-N 2 1 386.359 2.845 20 0 GFADMP Fc1cccc(Br)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414972620 563755133 /nfs/dbraw/zinc/75/51/33/563755133.db2.gz MLWFWAYOOKMLAT-CYBMUJFWSA-N 2 1 384.215 2.514 20 0 GFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(I)c1OC ZINC000414948966 563755287 /nfs/dbraw/zinc/75/52/87/563755287.db2.gz MYMRJWVMHZGHBV-CMPLNLGQSA-N 2 1 390.265 2.539 20 0 GFADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134140 563906881 /nfs/dbraw/zinc/90/68/81/563906881.db2.gz HDJUKBHCQGDBRH-KGLIPLIRSA-N 2 1 388.339 2.938 20 0 GFADMP O=c1ccc(Br)cn1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449381060 564182799 /nfs/dbraw/zinc/18/27/99/564182799.db2.gz XJUUAKUKLRVLFF-UHFFFAOYSA-N 2 1 382.346 2.998 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1 ZINC000449684330 564196023 /nfs/dbraw/zinc/19/60/23/564196023.db2.gz PENIUBNFQQOIJI-AWEZNQCLSA-N 2 1 396.304 2.990 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539970016 564234359 /nfs/dbraw/zinc/23/43/59/564234359.db2.gz ZPPVAWPMZNYCLK-QGZVFWFLSA-N 2 1 380.330 2.580 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cscc1Br ZINC000509072833 564280870 /nfs/dbraw/zinc/28/08/70/564280870.db2.gz WNZGEUUGYLIYGC-ZDUSSCGKSA-N 2 1 388.375 2.999 20 0 GFADMP C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000512151441 564393439 /nfs/dbraw/zinc/39/34/39/564393439.db2.gz YLZUNDGBAUEXTB-ZTFGCOKTSA-N 2 1 381.973 2.934 20 0 GFADMP CC[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1F ZINC000513881880 564441823 /nfs/dbraw/zinc/44/18/23/564441823.db2.gz XMMORPORHXWHQA-UHFFFAOYSA-N 2 1 386.309 2.574 20 0 GFADMP CC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cc(Br)ccc1F ZINC000513881880 564441825 /nfs/dbraw/zinc/44/18/25/564441825.db2.gz XMMORPORHXWHQA-UHFFFAOYSA-N 2 1 386.309 2.574 20 0 GFADMP CC[C@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000514225347 564448333 /nfs/dbraw/zinc/44/83/33/564448333.db2.gz NEJYBXQYHVSPOU-QGZVFWFLSA-N 2 1 396.373 2.866 20 0 GFADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000514225347 564448336 /nfs/dbraw/zinc/44/83/36/564448336.db2.gz NEJYBXQYHVSPOU-QGZVFWFLSA-N 2 1 396.373 2.866 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000453375060 564455813 /nfs/dbraw/zinc/45/58/13/564455813.db2.gz OVLRKAWOPWJRJP-JKIFEVAISA-N 2 1 385.346 2.539 20 0 GFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692428 564517435 /nfs/dbraw/zinc/51/74/35/564517435.db2.gz GMKVIMGPGZAMHC-DOTOQJQBSA-N 2 1 397.313 2.896 20 0 GFADMP CC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649470 564518726 /nfs/dbraw/zinc/51/87/26/564518726.db2.gz FIKUOCJMVBQUDM-MRRJBJDNSA-N 2 1 385.961 2.914 20 0 GFADMP CC[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649470 564518729 /nfs/dbraw/zinc/51/87/29/564518729.db2.gz FIKUOCJMVBQUDM-MRRJBJDNSA-N 2 1 385.961 2.914 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681747 564562033 /nfs/dbraw/zinc/56/20/33/564562033.db2.gz DDRJEKGUGZZOJI-BHYGNILZSA-N 2 1 394.357 2.948 20 0 GFADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000572459894 564595369 /nfs/dbraw/zinc/59/53/69/564595369.db2.gz WILDPJWZMULLPH-OAHLLOKOSA-N 2 1 394.317 2.641 20 0 GFADMP CC[C@@H]1CN(C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000572459894 564595372 /nfs/dbraw/zinc/59/53/72/564595372.db2.gz WILDPJWZMULLPH-OAHLLOKOSA-N 2 1 394.317 2.641 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252862 564695637 /nfs/dbraw/zinc/69/56/37/564695637.db2.gz PUXPTCOIQJBNLU-CABCVRRESA-N 2 1 391.339 2.824 20 0 GFADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527679120 564755662 /nfs/dbraw/zinc/75/56/62/564755662.db2.gz WXVKPZMKMHEEDR-UHFFFAOYSA-N 2 1 376.726 2.822 20 0 GFADMP C[N@@H+]1CCN(CC[NH2+]Cc2ncc(Cl)cc2Br)CC1(C)C ZINC000527703472 564756620 /nfs/dbraw/zinc/75/66/20/564756620.db2.gz PBZKGBJZXPHXNU-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2ncc(Cl)cc2Br)CC1(C)C ZINC000527703472 564756623 /nfs/dbraw/zinc/75/66/23/564756623.db2.gz PBZKGBJZXPHXNU-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000492995918 564805728 /nfs/dbraw/zinc/80/57/28/564805728.db2.gz UBFVMSYTFIRUFX-DEOSSOPVSA-N 2 1 392.396 2.670 20 0 GFADMP Fc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219935 564872633 /nfs/dbraw/zinc/87/26/33/564872633.db2.gz LLINAJXURNZGET-KNXALSJPSA-N 2 1 375.257 2.974 20 0 GFADMP Cn1c[nH+]cc1CC[NH2+]C1CCN(Cc2ccccc2Br)CC1 ZINC000530460129 564882615 /nfs/dbraw/zinc/88/26/15/564882615.db2.gz FFCPGIWKQPINAO-UHFFFAOYSA-N 2 1 377.330 2.979 20 0 GFADMP CN(CCC[N@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)CC[NH+](C)C ZINC000584493474 565084111 /nfs/dbraw/zinc/08/41/11/565084111.db2.gz WTVFWXWJCNCOES-UHFFFAOYSA-N 2 1 375.344 2.747 20 0 GFADMP CN(CCC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(Cl)c1)CC[NH+](C)C ZINC000584493474 565084115 /nfs/dbraw/zinc/08/41/15/565084115.db2.gz WTVFWXWJCNCOES-UHFFFAOYSA-N 2 1 375.344 2.747 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591278449 565220873 /nfs/dbraw/zinc/22/08/73/565220873.db2.gz CNKFJVZNRICYAA-HNNXBMFYSA-N 2 1 399.329 2.931 20 0 GFADMP C[N@H+]1CC[C@@]2(C1)CCCN([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661776 565288183 /nfs/dbraw/zinc/28/81/83/565288183.db2.gz GHLKXGMWBDSPAM-PKOBYXMFSA-N 2 1 392.341 2.972 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320808 565360882 /nfs/dbraw/zinc/36/08/82/565360882.db2.gz WPYKNWULKNWQRH-CVEARBPZSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320808 565360886 /nfs/dbraw/zinc/36/08/86/565360886.db2.gz WPYKNWULKNWQRH-CVEARBPZSA-N 2 1 391.339 2.776 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468829 565370069 /nfs/dbraw/zinc/37/00/69/565370069.db2.gz UIMQKCFOTSTQME-RHSMWYFYSA-N 2 1 380.330 2.926 20 0 GFADMP C[N@@H+]1CCC[C@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@H]21 ZINC000662502153 565372610 /nfs/dbraw/zinc/37/26/10/565372610.db2.gz JSOGNIDOOQMVKG-CMPLNLGQSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@H]21 ZINC000662502153 565372614 /nfs/dbraw/zinc/37/26/14/565372614.db2.gz JSOGNIDOOQMVKG-CMPLNLGQSA-N 2 1 384.343 2.670 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004128 565392617 /nfs/dbraw/zinc/39/26/17/565392617.db2.gz PNZQMMDOBGHQID-PBHICJAKSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004128 565392620 /nfs/dbraw/zinc/39/26/20/565392620.db2.gz PNZQMMDOBGHQID-PBHICJAKSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793060 565417377 /nfs/dbraw/zinc/41/73/77/565417377.db2.gz BXRPFJQVWFGWSN-ZFWWWQNUSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642793060 565417380 /nfs/dbraw/zinc/41/73/80/565417380.db2.gz BXRPFJQVWFGWSN-ZFWWWQNUSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)cc1 ZINC000664026108 565449148 /nfs/dbraw/zinc/44/91/48/565449148.db2.gz YNBDESDGHQHGKR-AWEZNQCLSA-N 2 1 385.350 2.520 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)cc1 ZINC000664026108 565449154 /nfs/dbraw/zinc/44/91/54/565449154.db2.gz YNBDESDGHQHGKR-AWEZNQCLSA-N 2 1 385.350 2.520 20 0 GFADMP CC1(C)C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292688 565496244 /nfs/dbraw/zinc/49/62/44/565496244.db2.gz HLRPYCPVCCGICK-AWEZNQCLSA-N 2 1 377.286 2.916 20 0 GFADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)cc3F)cc2)C1 ZINC000623564158 565518986 /nfs/dbraw/zinc/51/89/86/565518986.db2.gz UIXPMRNGINEENI-MRXNPFEDSA-N 2 1 394.288 2.840 20 0 GFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)cc3F)cc2)C1 ZINC000623564158 565518988 /nfs/dbraw/zinc/51/89/88/565518988.db2.gz UIXPMRNGINEENI-MRXNPFEDSA-N 2 1 394.288 2.840 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1F ZINC000666046779 565520814 /nfs/dbraw/zinc/52/08/14/565520814.db2.gz FFILGCVQOMUQQU-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Br)ccc1F ZINC000666046779 565520816 /nfs/dbraw/zinc/52/08/16/565520816.db2.gz FFILGCVQOMUQQU-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP Cn1c[nH+]cc1CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625797141 565660618 /nfs/dbraw/zinc/66/06/18/565660618.db2.gz QQCZZJNYBNSMGM-GOSISDBHSA-N 2 1 378.314 2.625 20 0 GFADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041128 565672470 /nfs/dbraw/zinc/67/24/70/565672470.db2.gz QYUSCUMHTGHXIF-WBVHZDCISA-N 2 1 394.357 2.791 20 0 GFADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041128 565672474 /nfs/dbraw/zinc/67/24/74/565672474.db2.gz QYUSCUMHTGHXIF-WBVHZDCISA-N 2 1 394.357 2.791 20 0 GFADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041128 565672482 /nfs/dbraw/zinc/67/24/82/565672482.db2.gz QYUSCUMHTGHXIF-WBVHZDCISA-N 2 1 394.357 2.791 20 0 GFADMP C[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000669582578 565694387 /nfs/dbraw/zinc/69/43/87/565694387.db2.gz AIHYAYGKIZVJFQ-SMDDNHRTSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000669582578 565694393 /nfs/dbraw/zinc/69/43/93/565694393.db2.gz AIHYAYGKIZVJFQ-SMDDNHRTSA-N 2 1 380.842 2.912 20 0 GFADMP Cc1cc(Br)ccc1[C@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581123 565860580 /nfs/dbraw/zinc/86/05/80/565860580.db2.gz NRJBEFJFVKFWMX-QGZVFWFLSA-N 2 1 380.330 2.716 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631067660 565936839 /nfs/dbraw/zinc/93/68/39/565936839.db2.gz DTAUHLAXGRRYQW-ZDUSSCGKSA-N 2 1 376.726 2.824 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269860 598871197 /nfs/dbraw/zinc/87/11/97/598871197.db2.gz YITZWCYYIRQVAS-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269860 598871198 /nfs/dbraw/zinc/87/11/98/598871198.db2.gz YITZWCYYIRQVAS-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269860 598871199 /nfs/dbraw/zinc/87/11/99/598871199.db2.gz YITZWCYYIRQVAS-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269860 598871200 /nfs/dbraw/zinc/87/12/00/598871200.db2.gz YITZWCYYIRQVAS-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3)CC2)cs1 ZINC000736704282 598713872 /nfs/dbraw/zinc/71/38/72/598713872.db2.gz LFNBHPNXNXMMHD-UHFFFAOYSA-N 2 1 397.552 2.887 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)CC2)nc(C)[nH+]1 ZINC000826269422 609339326 /nfs/dbraw/zinc/33/93/26/609339326.db2.gz LJULHCUJTNXLOD-ZDUSSCGKSA-N 2 1 396.474 2.732 20 0 GFADMP COc1cc([C@@H](C)[NH2+][C@@H](CN)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980425 660212787 /nfs/dbraw/zinc/21/27/87/660212787.db2.gz ASXBRJKVABYGCO-RISCZKNCSA-N 2 1 376.469 2.860 20 0 GFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ncc1F ZINC000273917395 655164272 /nfs/dbraw/zinc/16/42/72/655164272.db2.gz YYLUEZVKBRAQTF-ZDUSSCGKSA-N 2 1 387.341 2.907 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1Br ZINC000120475444 655336800 /nfs/dbraw/zinc/33/68/00/655336800.db2.gz WCXBFUABWJOBEN-CQSZACIVSA-N 2 1 398.349 2.724 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000577394558 655458509 /nfs/dbraw/zinc/45/85/09/655458509.db2.gz COBPGCABPDOIQZ-PBHICJAKSA-N 2 1 383.286 2.506 20 0 GFADMP Cc1ccc(C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]2CCCO2)c(Br)c1 ZINC000578893022 655488731 /nfs/dbraw/zinc/48/87/31/655488731.db2.gz OVYKJRCSFUXWIJ-SFHVURJKSA-N 2 1 396.373 2.644 20 0 GFADMP Cc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C[C@@H]2CCCO2)c(Br)c1 ZINC000578893022 655488734 /nfs/dbraw/zinc/48/87/34/655488734.db2.gz OVYKJRCSFUXWIJ-SFHVURJKSA-N 2 1 396.373 2.644 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1Br ZINC000579710959 655502786 /nfs/dbraw/zinc/50/27/86/655502786.db2.gz ZAPCMBRJPCNJPG-UHFFFAOYSA-N 2 1 384.318 2.736 20 0 GFADMP O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027972 662754074 /nfs/dbraw/zinc/75/40/74/662754074.db2.gz OPQPZXYOFXTQEA-KBAYOESNSA-N 2 1 383.330 2.573 20 0 GFADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3cccnc3Br)CC2)CC1 ZINC000877334763 662873859 /nfs/dbraw/zinc/87/38/59/662873859.db2.gz RPEGFFGEHRHPEP-UHFFFAOYSA-N 2 1 381.362 2.694 20 0 GFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000877477829 662876790 /nfs/dbraw/zinc/87/67/90/662876790.db2.gz IAZJFRZHIPRYLP-AWEZNQCLSA-N 2 1 399.329 2.826 20 0 GFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1Br ZINC000877477829 662876791 /nfs/dbraw/zinc/87/67/91/662876791.db2.gz IAZJFRZHIPRYLP-AWEZNQCLSA-N 2 1 399.329 2.826 20 0 GFADMP [NH3+][C@@H](CC1CC1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232271 663067405 /nfs/dbraw/zinc/06/74/05/663067405.db2.gz MQYLDLJUJJNIBL-KRWDZBQOSA-N 2 1 380.330 2.657 20 0 GFADMP Cn1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(I)n1 ZINC000894057470 663440084 /nfs/dbraw/zinc/44/00/84/663440084.db2.gz KAZHHIFHOKNPRW-UHFFFAOYSA-N 2 1 390.313 2.579 20 0 GFADMP C[C@H]1C[C@@H](C[N@@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469020 663835450 /nfs/dbraw/zinc/83/54/50/663835450.db2.gz HZZCNUDPYJVFHK-UWVGGRQHSA-N 2 1 381.240 2.868 20 0 GFADMP C[C@H]1C[C@@H](C[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469020 663835454 /nfs/dbraw/zinc/83/54/54/663835454.db2.gz HZZCNUDPYJVFHK-UWVGGRQHSA-N 2 1 381.240 2.868 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@H]1C(C)C ZINC000922392088 664598740 /nfs/dbraw/zinc/59/87/40/664598740.db2.gz CSJZGSXGUKWEAA-YFHUEUNASA-N 2 1 382.346 2.804 20 0 GFADMP CC1([NH3+])CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923346230 664628817 /nfs/dbraw/zinc/62/88/17/664628817.db2.gz OIVCHYGGIZUPQD-LBPRGKRZSA-N 2 1 377.710 2.655 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1(C)C ZINC000926358362 664688643 /nfs/dbraw/zinc/68/86/43/664688643.db2.gz XSAJCWVWIMFFKP-INIZCTEOSA-N 2 1 381.362 2.837 20 0 GFADMP CSC[C@@H]1CCC[NH+](CC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](CSC)C2)C1 ZINC000930561070 664773351 /nfs/dbraw/zinc/77/33/51/664773351.db2.gz TZPUVWDAPUUSJY-RCCFBDPRSA-N 2 1 387.659 2.641 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429359 664794689 /nfs/dbraw/zinc/79/46/89/664794689.db2.gz FURYTWKNXQDHEX-CWRNSKLLSA-N 2 1 380.330 2.510 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429359 664794692 /nfs/dbraw/zinc/79/46/92/664794692.db2.gz FURYTWKNXQDHEX-CWRNSKLLSA-N 2 1 380.330 2.510 20 0 GFADMP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429359 664794694 /nfs/dbraw/zinc/79/46/94/664794694.db2.gz FURYTWKNXQDHEX-CWRNSKLLSA-N 2 1 380.330 2.510 20 0 GFADMP C[C@H](NC(=O)C[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1)c1ccc(Br)cc1 ZINC000931429359 664794698 /nfs/dbraw/zinc/79/46/98/664794698.db2.gz FURYTWKNXQDHEX-CWRNSKLLSA-N 2 1 380.330 2.510 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1ccccc1I ZINC000934827329 664924974 /nfs/dbraw/zinc/92/49/74/664924974.db2.gz RGTDNMVPNOIGQQ-OAHLLOKOSA-N 2 1 385.249 2.509 20 0 GFADMP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000579767394 677673496 /nfs/dbraw/zinc/67/34/96/677673496.db2.gz FQLIULSIHCTDGI-OAHLLOKOSA-N 2 1 399.377 2.591 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684967 719613877 /nfs/dbraw/zinc/61/38/77/719613877.db2.gz PJAHACYUCGWPOY-UHFFFAOYSA-N 2 1 397.914 2.864 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc(-c3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684967 719613884 /nfs/dbraw/zinc/61/38/84/719613884.db2.gz PJAHACYUCGWPOY-UHFFFAOYSA-N 2 1 397.914 2.864 20 0 GFADMP Cc1cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(Cl)n1 ZINC001164686276 719615574 /nfs/dbraw/zinc/61/55/74/719615574.db2.gz ZTNLCGGBEUJAEK-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP Cc1cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(Cl)n1 ZINC001164686276 719615586 /nfs/dbraw/zinc/61/55/86/719615586.db2.gz ZTNLCGGBEUJAEK-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP COc1ccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(C)c2c1 ZINC001164682362 719627051 /nfs/dbraw/zinc/62/70/51/719627051.db2.gz MNZUWKLFHATAMX-UHFFFAOYSA-N 2 1 380.496 2.618 20 0 GFADMP COc1ccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc(C)c2c1 ZINC001164682362 719627056 /nfs/dbraw/zinc/62/70/56/719627056.db2.gz MNZUWKLFHATAMX-UHFFFAOYSA-N 2 1 380.496 2.618 20 0 GFADMP COc1cccc(-c2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164681196 719631086 /nfs/dbraw/zinc/63/10/86/719631086.db2.gz CLXDDLQCIVIYKX-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1cccc(-c2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n2)c1 ZINC001164681196 719631098 /nfs/dbraw/zinc/63/10/98/719631098.db2.gz CLXDDLQCIVIYKX-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(N)c2)c2c1CC[NH2+]C2 ZINC001164679515 719635682 /nfs/dbraw/zinc/63/56/82/719635682.db2.gz DVDDJPLYGYDWIF-UHFFFAOYSA-N 2 1 384.862 2.597 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(C(F)(F)c2cnc(Cl)c(N)c2)c2c1CC[NH2+]C2 ZINC001164679515 719635685 /nfs/dbraw/zinc/63/56/85/719635685.db2.gz DVDDJPLYGYDWIF-UHFFFAOYSA-N 2 1 384.862 2.597 20 0 GFADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc(NC4CC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837148 720505637 /nfs/dbraw/zinc/50/56/37/720505637.db2.gz NWKRNQJJMXTSNX-YTQUADARSA-N 2 1 381.528 2.625 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(NC4CC4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164837148 720505638 /nfs/dbraw/zinc/50/56/38/720505638.db2.gz NWKRNQJJMXTSNX-YTQUADARSA-N 2 1 381.528 2.625 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744450 720823184 /nfs/dbraw/zinc/82/31/84/720823184.db2.gz UGJYQFOSECMHNI-DYXWJJEUSA-N 2 1 378.524 2.541 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744450 720823185 /nfs/dbraw/zinc/82/31/85/720823185.db2.gz UGJYQFOSECMHNI-DYXWJJEUSA-N 2 1 378.524 2.541 20 0 GFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@@H]21 ZINC001165024917 721813616 /nfs/dbraw/zinc/81/36/16/721813616.db2.gz LGSISWKMCGFVRW-RYQLBKOJSA-N 2 1 393.491 2.544 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@@H]21 ZINC001165024917 721813617 /nfs/dbraw/zinc/81/36/17/721813617.db2.gz LGSISWKMCGFVRW-RYQLBKOJSA-N 2 1 393.491 2.544 20 0 GFADMP Brc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000236691861 553070294 /nfs/dbraw/zinc/07/02/94/553070294.db2.gz DHBWAUORDUGXMR-UHFFFAOYSA-N 2 1 378.314 2.950 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000246857360 553114277 /nfs/dbraw/zinc/11/42/77/553114277.db2.gz BUBYLMDZIWHQBO-IBGZPJMESA-N 2 1 380.374 2.924 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000247021935 553117198 /nfs/dbraw/zinc/11/71/98/553117198.db2.gz MXQWZTGRNODPPO-BFYDXBDKSA-N 2 1 387.615 2.639 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000247057827 553118059 /nfs/dbraw/zinc/11/80/59/553118059.db2.gz OTNXAPQRSAUNLS-KYJSFNMBSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000247057827 553118060 /nfs/dbraw/zinc/11/80/60/553118060.db2.gz OTNXAPQRSAUNLS-KYJSFNMBSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000247057827 553118061 /nfs/dbraw/zinc/11/80/61/553118061.db2.gz OTNXAPQRSAUNLS-KYJSFNMBSA-N 2 1 385.346 2.851 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Br)cc3)CC[C@H]21 ZINC000247883454 553126764 /nfs/dbraw/zinc/12/67/64/553126764.db2.gz CHOBRQITMZYPQT-UWWQBHOKSA-N 2 1 383.330 2.605 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CC[C@H]21 ZINC000247883454 553126765 /nfs/dbraw/zinc/12/67/65/553126765.db2.gz CHOBRQITMZYPQT-UWWQBHOKSA-N 2 1 383.330 2.605 20 0 GFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474933571 564293425 /nfs/dbraw/zinc/29/34/25/564293425.db2.gz XKXNBRXHUFWGBD-ZDUSSCGKSA-N 2 1 383.208 2.504 20 0 GFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474933571 564293426 /nfs/dbraw/zinc/29/34/26/564293426.db2.gz XKXNBRXHUFWGBD-ZDUSSCGKSA-N 2 1 383.208 2.504 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420411279 563262702 /nfs/dbraw/zinc/26/27/02/563262702.db2.gz YPJUDGUJVIQNCM-CRAIPNDOSA-N 2 1 394.357 2.872 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420411279 563262705 /nfs/dbraw/zinc/26/27/05/563262705.db2.gz YPJUDGUJVIQNCM-CRAIPNDOSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958208 563351444 /nfs/dbraw/zinc/35/14/44/563351444.db2.gz XBUYMMWGHJXWGC-KBXCAEBGSA-N 2 1 390.325 2.727 20 0 GFADMP Cc1[nH+]ccn1CCCN1CCC(O)(c2scnc2Br)CC1 ZINC000374035094 563359138 /nfs/dbraw/zinc/35/91/38/563359138.db2.gz IZDXXYUITXBAAF-UHFFFAOYSA-N 2 1 385.331 2.784 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000391804962 563525435 /nfs/dbraw/zinc/52/54/35/563525435.db2.gz VJERENNGDPLPMV-CWRNSKLLSA-N 2 1 380.330 2.558 20 0 GFADMP OCC[NH+]1CCN(CCCC[NH2+]Cc2ccc(F)c(Cl)c2Cl)CC1 ZINC000432243101 563577958 /nfs/dbraw/zinc/57/79/58/563577958.db2.gz RWLQONYGKJUVCY-UHFFFAOYSA-N 2 1 378.319 2.612 20 0 GFADMP [NH3+]C1CCN(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000332543956 563604087 /nfs/dbraw/zinc/60/40/87/563604087.db2.gz ZAAAGNFMIQORIN-UHFFFAOYSA-N 2 1 395.345 2.546 20 0 GFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000439438592 563724880 /nfs/dbraw/zinc/72/48/80/563724880.db2.gz KNCBMCXFJBNYQJ-UHOFOFEASA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000439438592 563724882 /nfs/dbraw/zinc/72/48/82/563724882.db2.gz KNCBMCXFJBNYQJ-UHOFOFEASA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438592 563724884 /nfs/dbraw/zinc/72/48/84/563724884.db2.gz KNCBMCXFJBNYQJ-UHOFOFEASA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438592 563724885 /nfs/dbraw/zinc/72/48/85/563724885.db2.gz KNCBMCXFJBNYQJ-UHOFOFEASA-N 2 1 389.309 2.742 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681809 563750300 /nfs/dbraw/zinc/75/03/00/563750300.db2.gz WQYVMDJMDQOZFG-OAHLLOKOSA-N 2 1 380.330 2.611 20 0 GFADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746133 563751820 /nfs/dbraw/zinc/75/18/20/563751820.db2.gz LSLHVFVNLNXVKU-HIFRSBDPSA-N 2 1 383.334 2.868 20 0 GFADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746133 563751822 /nfs/dbraw/zinc/75/18/22/563751822.db2.gz LSLHVFVNLNXVKU-HIFRSBDPSA-N 2 1 383.334 2.868 20 0 GFADMP COc1cc(Br)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415048931 563757770 /nfs/dbraw/zinc/75/77/70/563757770.db2.gz GQNCLHVPPWKPSX-UHFFFAOYSA-N 2 1 382.346 2.764 20 0 GFADMP C[NH+]1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(F)(F)C[NH3+])CC1 ZINC000415811428 563797743 /nfs/dbraw/zinc/79/77/43/563797743.db2.gz XNWOEQKGLYCYFO-UHFFFAOYSA-N 2 1 376.835 2.529 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366220279 563801814 /nfs/dbraw/zinc/80/18/14/563801814.db2.gz UJTCHIRNSGUNLK-XYPHTWIQSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366220279 563801817 /nfs/dbraw/zinc/80/18/17/563801817.db2.gz UJTCHIRNSGUNLK-XYPHTWIQSA-N 2 1 396.329 2.619 20 0 GFADMP [NH3+]C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999688 563894780 /nfs/dbraw/zinc/89/47/80/563894780.db2.gz VDZVWNWHHMVULU-CYBMUJFWSA-N 2 1 385.339 2.948 20 0 GFADMP C[C@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000449134142 563906932 /nfs/dbraw/zinc/90/69/32/563906932.db2.gz HDJUKBHCQGDBRH-ZIAGYGMSSA-N 2 1 388.339 2.938 20 0 GFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960420 564178176 /nfs/dbraw/zinc/17/81/76/564178176.db2.gz VDNXFQRBFKBZPH-WMLDXEAASA-N 2 1 382.346 2.716 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000563952462 564214924 /nfs/dbraw/zinc/21/49/24/564214924.db2.gz IKSJZOZMEMXXCN-MRXNPFEDSA-N 2 1 382.302 2.764 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(I)cc2)[C@H](C)C1 ZINC000511053827 564354909 /nfs/dbraw/zinc/35/49/09/564354909.db2.gz ZNJRDXJDAWZIQQ-CJNGLKHVSA-N 2 1 388.293 2.990 20 0 GFADMP [NH3+]CCC[N@H+](Cc1cc(=O)n2cc(Br)ccc2n1)CC1CCCC1 ZINC000567889231 564394801 /nfs/dbraw/zinc/39/48/01/564394801.db2.gz DITGYFAGRVPOPO-UHFFFAOYSA-N 2 1 393.329 2.798 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567891291 564394978 /nfs/dbraw/zinc/39/49/78/564394978.db2.gz XKJYFSFSDPLSAE-NILFDRSVSA-N 2 1 386.359 2.528 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000567891291 564394980 /nfs/dbraw/zinc/39/49/80/564394980.db2.gz XKJYFSFSDPLSAE-NILFDRSVSA-N 2 1 386.359 2.528 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453339447 564453963 /nfs/dbraw/zinc/45/39/63/564453963.db2.gz BVIHKJRZIWXAAB-KEYYUXOJSA-N 2 1 385.346 2.681 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000570162276 564494012 /nfs/dbraw/zinc/49/40/12/564494012.db2.gz IKCNLLUTLQEIEZ-SIUPPRGNSA-N 2 1 394.357 2.855 20 0 GFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692430 564517330 /nfs/dbraw/zinc/51/73/30/564517330.db2.gz GMKVIMGPGZAMHC-RDJZCZTQSA-N 2 1 397.313 2.896 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc32)CC1 ZINC000482889958 564552847 /nfs/dbraw/zinc/55/28/47/564552847.db2.gz MQECNKODDWSXOW-GOSISDBHSA-N 2 1 394.357 2.969 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681751 564561409 /nfs/dbraw/zinc/56/14/09/564561409.db2.gz DDRJEKGUGZZOJI-USXIJHARSA-N 2 1 394.357 2.948 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccccc1Br ZINC000523392052 564665817 /nfs/dbraw/zinc/66/58/17/564665817.db2.gz JBFPCWGAQJKSRX-HNNXBMFYSA-N 2 1 382.346 2.937 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459565292 564751541 /nfs/dbraw/zinc/75/15/41/564751541.db2.gz GLHGUBKSNVKGDR-CQSZACIVSA-N 2 1 397.357 2.825 20 0 GFADMP C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490983275 564784494 /nfs/dbraw/zinc/78/44/94/564784494.db2.gz BTXZGERAXIQFHY-VQIMIIECSA-N 2 1 396.373 2.786 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038047 564889912 /nfs/dbraw/zinc/88/99/12/564889912.db2.gz QINAIEQUWWMSTC-DLBZAZTESA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038047 564889914 /nfs/dbraw/zinc/88/99/14/564889914.db2.gz QINAIEQUWWMSTC-DLBZAZTESA-N 2 1 381.611 2.774 20 0 GFADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470012550 565035641 /nfs/dbraw/zinc/03/56/41/565035641.db2.gz IZAVHZFATNKUQE-AWEZNQCLSA-N 2 1 378.929 2.750 20 0 GFADMP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636066536 565088997 /nfs/dbraw/zinc/08/89/97/565088997.db2.gz VZGJZJZTYDIDTP-CQSZACIVSA-N 2 1 397.361 2.727 20 0 GFADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000638439616 565196082 /nfs/dbraw/zinc/19/60/82/565196082.db2.gz IGCPUGFWFOFVHX-UHFFFAOYSA-N 2 1 399.329 2.545 20 0 GFADMP Cc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)s1 ZINC000617506207 565244183 /nfs/dbraw/zinc/24/41/83/565244183.db2.gz FOCCCDZGVQJSGR-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP Cc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)s1 ZINC000617506207 565244186 /nfs/dbraw/zinc/24/41/86/565244186.db2.gz FOCCCDZGVQJSGR-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(Cl)c(Br)c3)nn2)CC1 ZINC000641126515 565348349 /nfs/dbraw/zinc/34/83/49/565348349.db2.gz ZVXMANUURJMJQH-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321196 565360351 /nfs/dbraw/zinc/36/03/51/565360351.db2.gz ZHAVIPXFEKTWCS-CVEARBPZSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321196 565360355 /nfs/dbraw/zinc/36/03/55/565360355.db2.gz ZHAVIPXFEKTWCS-CVEARBPZSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000662324177 565360663 /nfs/dbraw/zinc/36/06/63/565360663.db2.gz YVHWUULOHFUMJR-HNNXBMFYSA-N 2 1 398.345 2.820 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000662326037 565360993 /nfs/dbraw/zinc/36/09/93/565360993.db2.gz URBVGTNMEKABPW-QGZVFWFLSA-N 2 1 398.345 2.820 20 0 GFADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662481534 565371537 /nfs/dbraw/zinc/37/15/37/565371537.db2.gz IHVZAZJCOYZOQW-NSHDSACASA-N 2 1 386.359 2.918 20 0 GFADMP [NH3+][C@H]1CCc2nc(NC(=O)c3sc4c(c3Br)C[NH2+]C4)sc2C1 ZINC000662519547 565373501 /nfs/dbraw/zinc/37/35/01/565373501.db2.gz VZLBJSITSYGCBO-LURJTMIESA-N 2 1 399.339 2.639 20 0 GFADMP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)c1ccccc1 ZINC000662522582 565375254 /nfs/dbraw/zinc/37/52/54/565375254.db2.gz AUQDMSZQRLKQKO-DLBZAZTESA-N 2 1 376.298 2.868 20 0 GFADMP [NH3+]CCN(Cc1ccccc1)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662552397 565376916 /nfs/dbraw/zinc/37/69/16/565376916.db2.gz JJENRGLFCGQLCV-UHFFFAOYSA-N 2 1 380.311 2.715 20 0 GFADMP C[NH2+][C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662568652 565377477 /nfs/dbraw/zinc/37/74/77/565377477.db2.gz IJBPEOSWDRLXPR-OIISXLGYSA-N 2 1 386.323 2.609 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587013 565377933 /nfs/dbraw/zinc/37/79/33/565377933.db2.gz UERRJCNODDCIFZ-RHSMWYFYSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1csc(Br)c1 ZINC000663703911 565431671 /nfs/dbraw/zinc/43/16/71/565431671.db2.gz DDLIAHFHIMRCJV-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1csc(Br)c1 ZINC000663703911 565431675 /nfs/dbraw/zinc/43/16/75/565431675.db2.gz DDLIAHFHIMRCJV-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccccc1Br ZINC000663856648 565439803 /nfs/dbraw/zinc/43/98/03/565439803.db2.gz ATZZRAOKZAWANC-AWEZNQCLSA-N 2 1 385.350 2.520 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccccc1Br ZINC000663856648 565439807 /nfs/dbraw/zinc/43/98/07/565439807.db2.gz ATZZRAOKZAWANC-AWEZNQCLSA-N 2 1 385.350 2.520 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)cc1F ZINC000664317464 565458665 /nfs/dbraw/zinc/45/86/65/565458665.db2.gz ZVLYEZJACFRVML-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP CC1(C)C[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000646241794 565592095 /nfs/dbraw/zinc/59/20/95/565592095.db2.gz JVZDJCKMDRYQIM-INIZCTEOSA-N 2 1 380.330 2.528 20 0 GFADMP Cc1c(Br)cncc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162412 565629823 /nfs/dbraw/zinc/62/98/23/565629823.db2.gz ZFOFSCNRXLKNBT-KRWDZBQOSA-N 2 1 381.362 2.753 20 0 GFADMP Cc1c(Br)cncc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162412 565629827 /nfs/dbraw/zinc/62/98/27/565629827.db2.gz ZFOFSCNRXLKNBT-KRWDZBQOSA-N 2 1 381.362 2.753 20 0 GFADMP Brc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000647791451 565676553 /nfs/dbraw/zinc/67/65/53/565676553.db2.gz DGSUKXZNMSSYFB-VNHYZAJKSA-N 2 1 376.302 2.712 20 0 GFADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647938480 565684330 /nfs/dbraw/zinc/68/43/30/565684330.db2.gz OGGHCUMKDAMDCS-YSVLISHTSA-N 2 1 382.346 2.855 20 0 GFADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000647938480 565684337 /nfs/dbraw/zinc/68/43/37/565684337.db2.gz OGGHCUMKDAMDCS-YSVLISHTSA-N 2 1 382.346 2.855 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978395 565686021 /nfs/dbraw/zinc/68/60/21/565686021.db2.gz RIMHFUHOHXYGBZ-ZOBUZTSGSA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978395 565686025 /nfs/dbraw/zinc/68/60/25/565686025.db2.gz RIMHFUHOHXYGBZ-ZOBUZTSGSA-N 2 1 380.330 2.687 20 0 GFADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3Br)cc2)C1 ZINC000631172218 565947031 /nfs/dbraw/zinc/94/70/31/565947031.db2.gz JEYUNSNGLMIHGU-QGZVFWFLSA-N 2 1 376.298 2.701 20 0 GFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3Br)cc2)C1 ZINC000631172218 565947035 /nfs/dbraw/zinc/94/70/35/565947035.db2.gz JEYUNSNGLMIHGU-QGZVFWFLSA-N 2 1 376.298 2.701 20 0 GFADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635443136 566213524 /nfs/dbraw/zinc/21/35/24/566213524.db2.gz FODAOANKGDPXKG-MRXNPFEDSA-N 2 1 382.346 2.681 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)nc(C)[nH+]1 ZINC000822206916 606622380 /nfs/dbraw/zinc/62/23/80/606622380.db2.gz CVFRBVJHWSDSLM-AWEZNQCLSA-N 2 1 378.484 2.593 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2)nc(C)[nH+]1 ZINC000826269254 609149186 /nfs/dbraw/zinc/14/91/86/609149186.db2.gz GFKLILLAOZUMGJ-CYBMUJFWSA-N 2 1 396.474 2.732 20 0 GFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916524 660211916 /nfs/dbraw/zinc/21/19/16/660211916.db2.gz GYGALLBORQVFSG-LSDHHAIUSA-N 2 1 380.432 2.609 20 0 GFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(Br)ncc1F ZINC000817982364 660213019 /nfs/dbraw/zinc/21/30/19/660213019.db2.gz CTSXFMMAUWBPAQ-HSBZDZAISA-N 2 1 385.325 2.850 20 0 GFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000819128011 660247318 /nfs/dbraw/zinc/24/73/18/660247318.db2.gz DDUQLXGLHAFCHU-GOSISDBHSA-N 2 1 385.346 2.962 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265331 660252773 /nfs/dbraw/zinc/25/27/73/660252773.db2.gz NHFPKICHAMZFSK-GUYCJALGSA-N 2 1 389.309 2.712 20 0 GFADMP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@@H+]2CCc3sccc3C2)cc(Cl)n1 ZINC000827549049 660501954 /nfs/dbraw/zinc/50/19/54/660501954.db2.gz YSEPKWZQCXKVAN-OAHLLOKOSA-N 2 1 378.929 2.669 20 0 GFADMP Cc1cc([C@H]([NH3+])CC(=O)NCC[N@H+]2CCc3sccc3C2)cc(Cl)n1 ZINC000827549049 660501955 /nfs/dbraw/zinc/50/19/55/660501955.db2.gz YSEPKWZQCXKVAN-OAHLLOKOSA-N 2 1 378.929 2.669 20 0 GFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000827778056 660514271 /nfs/dbraw/zinc/51/42/71/660514271.db2.gz MEGFVNMHPXKXCA-KRWDZBQOSA-N 2 1 376.372 2.837 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834904033 660837529 /nfs/dbraw/zinc/83/75/29/660837529.db2.gz MGTVXCHLYZOOPS-TZUVLKIQSA-N 2 1 397.357 2.824 20 0 GFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000276662991 655282737 /nfs/dbraw/zinc/28/27/37/655282737.db2.gz JTQGKANSFFEXGH-UHFFFAOYSA-N 2 1 380.330 2.637 20 0 GFADMP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000120719839 655343120 /nfs/dbraw/zinc/34/31/20/655343120.db2.gz FSBTZVPTSBMGEQ-GOSISDBHSA-N 2 1 383.330 2.527 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840830082 661193814 /nfs/dbraw/zinc/19/38/14/661193814.db2.gz BZCNQSBKLUEZAQ-OAHLLOKOSA-N 2 1 380.524 2.694 20 0 GFADMP C[NH+]1CCC(CNC(=S)NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000760475066 655981930 /nfs/dbraw/zinc/98/19/30/655981930.db2.gz BHFDZZPEPIRVPV-KRWDZBQOSA-N 2 1 380.627 2.766 20 0 GFADMP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762460873 656042758 /nfs/dbraw/zinc/04/27/58/656042758.db2.gz KONLGTWNNVNGJQ-RHSMWYFYSA-N 2 1 386.968 2.888 20 0 GFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769329 658435522 /nfs/dbraw/zinc/43/55/22/658435522.db2.gz UERRFKDNFDPHLJ-GOSISDBHSA-N 2 1 376.298 2.749 20 0 GFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769329 658435553 /nfs/dbraw/zinc/43/55/53/658435553.db2.gz UERRFKDNFDPHLJ-GOSISDBHSA-N 2 1 376.298 2.749 20 0 GFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769329 658435588 /nfs/dbraw/zinc/43/55/88/658435588.db2.gz UERRFKDNFDPHLJ-GOSISDBHSA-N 2 1 376.298 2.749 20 0 GFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)C2)C1 ZINC000793769329 658435623 /nfs/dbraw/zinc/43/56/23/658435623.db2.gz UERRFKDNFDPHLJ-GOSISDBHSA-N 2 1 376.298 2.749 20 0 GFADMP C[NH+]1CCN(CCCC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842672542 661348333 /nfs/dbraw/zinc/34/83/33/661348333.db2.gz ZFCWYOGWBDWDDS-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111221 661368692 /nfs/dbraw/zinc/36/86/92/661368692.db2.gz FDBBBZGYWIJMJA-ACJLOTCBSA-N 2 1 384.307 2.671 20 0 GFADMP C[NH+](C)[C@@]1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000849096498 661692093 /nfs/dbraw/zinc/69/20/93/661692093.db2.gz LIEJLTDEBAGQAF-OAHLLOKOSA-N 2 1 376.448 2.636 20 0 GFADMP Brc1ncccc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000865439552 662421662 /nfs/dbraw/zinc/42/16/62/662421662.db2.gz YDGJOHCCJPNRBQ-UHFFFAOYSA-N 2 1 390.329 2.541 20 0 GFADMP C[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1nc(Br)cs1 ZINC000873242361 662804560 /nfs/dbraw/zinc/80/45/60/662804560.db2.gz ANSSLSKCZIETBA-JTQLQIEISA-N 2 1 393.314 2.796 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287401 662893178 /nfs/dbraw/zinc/89/31/78/662893178.db2.gz AYPGDCVHJSLMPN-XDNAFOTISA-N 2 1 383.330 2.666 20 0 GFADMP COCC[N@@H+](C[C@H](O)c1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000879125030 662918023 /nfs/dbraw/zinc/91/80/23/662918023.db2.gz MVVRIQMEPFCQED-SFHVURJKSA-N 2 1 385.346 2.773 20 0 GFADMP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)Nc1ccc(Br)cn1)CC2 ZINC000879249432 662921694 /nfs/dbraw/zinc/92/16/94/662921694.db2.gz QENSLWOGISVENA-UHFFFAOYSA-N 2 1 381.318 2.590 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cc(C(=O)Nc3ccccc3Br)no2)CC1 ZINC000901389773 663735043 /nfs/dbraw/zinc/73/50/43/663735043.db2.gz ATKSUQOLMSFANA-UHFFFAOYSA-N 2 1 393.285 2.655 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000902440900 663761308 /nfs/dbraw/zinc/76/13/08/663761308.db2.gz BBFXSDDWOHOLRT-QGZVFWFLSA-N 2 1 394.357 2.950 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@@H]1C(C)C ZINC000922392171 664598864 /nfs/dbraw/zinc/59/88/64/664598864.db2.gz BYTTVAMGUIYDEX-BDXSIMOUSA-N 2 1 382.346 2.804 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923321100 664628217 /nfs/dbraw/zinc/62/82/17/664628217.db2.gz KFQDFEJSZQVJCZ-CYBMUJFWSA-N 2 1 381.318 2.637 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000923427694 664630235 /nfs/dbraw/zinc/63/02/35/664630235.db2.gz UWZQPJCYYBUZMY-USWWRNFRSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000923427694 664630236 /nfs/dbraw/zinc/63/02/36/664630236.db2.gz UWZQPJCYYBUZMY-USWWRNFRSA-N 2 1 387.229 2.802 20 0 GFADMP Cc1nc(-c2ccccn2)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164680582 719645121 /nfs/dbraw/zinc/64/51/21/719645121.db2.gz WVQACCCAPOCOOE-UHFFFAOYSA-N 2 1 391.523 2.827 20 0 GFADMP Cc1nc(-c2ccccn2)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164680582 719645127 /nfs/dbraw/zinc/64/51/27/719645127.db2.gz WVQACCCAPOCOOE-UHFFFAOYSA-N 2 1 391.523 2.827 20 0 GFADMP c1cc2c[nH+]c(N3CC[C@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744917 720814921 /nfs/dbraw/zinc/81/49/21/720814921.db2.gz JSDKMACYTUNGGR-BJLQDIEVSA-N 2 1 377.496 2.534 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987936 551345634 /nfs/dbraw/zinc/34/56/34/551345634.db2.gz AZWVRXNFGVOQME-SJCJKPOMSA-N 2 1 398.320 2.753 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987936 551345637 /nfs/dbraw/zinc/34/56/37/551345637.db2.gz AZWVRXNFGVOQME-SJCJKPOMSA-N 2 1 398.320 2.753 20 0 GFADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000155268917 551495878 /nfs/dbraw/zinc/49/58/78/551495878.db2.gz MDEHSBDXPXDUHS-KRWDZBQOSA-N 2 1 379.595 2.920 20 0 GFADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000155268917 551495879 /nfs/dbraw/zinc/49/58/79/551495879.db2.gz MDEHSBDXPXDUHS-KRWDZBQOSA-N 2 1 379.595 2.920 20 0 GFADMP CC(C)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000236673913 553070455 /nfs/dbraw/zinc/07/04/55/553070455.db2.gz MVYMJPDINOUNTR-KRWDZBQOSA-N 2 1 382.346 2.903 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261705320 553156733 /nfs/dbraw/zinc/15/67/33/553156733.db2.gz PDPLJLOFQYENJR-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000261705320 553156737 /nfs/dbraw/zinc/15/67/37/553156737.db2.gz PDPLJLOFQYENJR-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718884 553157364 /nfs/dbraw/zinc/15/73/64/553157364.db2.gz JVFNIGPPAOSPFS-GLJUWKHASA-N 2 1 382.346 2.860 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261755493 553157756 /nfs/dbraw/zinc/15/77/56/553157756.db2.gz CMCDNTRFSAIDMQ-JSGCOSHPSA-N 2 1 375.460 2.847 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261755493 553157758 /nfs/dbraw/zinc/15/77/58/553157758.db2.gz CMCDNTRFSAIDMQ-JSGCOSHPSA-N 2 1 375.460 2.847 20 0 GFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000262040523 553164900 /nfs/dbraw/zinc/16/49/00/553164900.db2.gz YGXKRAMEKSXBLI-JCGIZDLHSA-N 2 1 394.357 2.845 20 0 GFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000262040523 553164901 /nfs/dbraw/zinc/16/49/01/553164901.db2.gz YGXKRAMEKSXBLI-JCGIZDLHSA-N 2 1 394.357 2.845 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH2+][C@H](C)C2C[NH2+]C2)C1=O ZINC000423102939 563355604 /nfs/dbraw/zinc/35/56/04/563355604.db2.gz FQONFFRPIFLGSH-CJNGLKHVSA-N 2 1 380.330 2.759 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423153893 563357146 /nfs/dbraw/zinc/35/71/46/563357146.db2.gz IJYNUJVPOYDEAN-JSGCOSHPSA-N 2 1 394.313 2.767 20 0 GFADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155458 563357241 /nfs/dbraw/zinc/35/72/41/563357241.db2.gz LCXRANFPOAQRIO-JQFCIGGWSA-N 2 1 385.346 2.729 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)oc1C ZINC000424638053 563384737 /nfs/dbraw/zinc/38/47/37/563384737.db2.gz KKNBFRSSOSTFRE-AWEZNQCLSA-N 2 1 386.334 2.839 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434673 563506625 /nfs/dbraw/zinc/50/66/25/563506625.db2.gz SZYCSFSBYJXOFV-DHSIGJKJSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434673 563506626 /nfs/dbraw/zinc/50/66/26/563506626.db2.gz SZYCSFSBYJXOFV-DHSIGJKJSA-N 2 1 379.551 2.739 20 0 GFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000430616987 563546871 /nfs/dbraw/zinc/54/68/71/563546871.db2.gz JBIRMVCRRRAVME-CQSZACIVSA-N 2 1 388.293 2.992 20 0 GFADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637939 563546899 /nfs/dbraw/zinc/54/68/99/563546899.db2.gz DSVKLVSPPXVDHO-GOEBONIOSA-N 2 1 380.330 2.654 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432410011 563583337 /nfs/dbraw/zinc/58/33/37/563583337.db2.gz LAOSIQHPVDGRNZ-KLHKWILBSA-N 2 1 394.357 2.872 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2csc(Br)c2)C2CC2)C1 ZINC000414711309 563750877 /nfs/dbraw/zinc/75/08/77/563750877.db2.gz SGMVUWVWJUMLMT-GFCCVEGCSA-N 2 1 386.359 2.672 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000414726791 563751062 /nfs/dbraw/zinc/75/10/62/563751062.db2.gz ADQLYLMMBYVSSR-CYBMUJFWSA-N 2 1 398.320 2.750 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000414862773 563753527 /nfs/dbraw/zinc/75/35/27/563753527.db2.gz HWKKYQDDYKDQBN-INIZCTEOSA-N 2 1 380.330 2.704 20 0 GFADMP CC(C)(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442879573 563783081 /nfs/dbraw/zinc/78/30/81/563783081.db2.gz WVSPNZPGFMONMQ-UHFFFAOYSA-N 2 1 391.940 2.610 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886434 563858541 /nfs/dbraw/zinc/85/85/41/563858541.db2.gz OPEPUTLTXSOYKS-PVAVHDDUSA-N 2 1 385.350 2.515 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844665 563879870 /nfs/dbraw/zinc/87/98/70/563879870.db2.gz HVUCOXCDRDCABS-IUODEOHRSA-N 2 1 377.286 2.886 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000508082860 564252813 /nfs/dbraw/zinc/25/28/13/564252813.db2.gz UQCOAPMGPJBOKT-MRXNPFEDSA-N 2 1 387.977 2.685 20 0 GFADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Br)cc1 ZINC000565476815 564283010 /nfs/dbraw/zinc/28/30/10/564283010.db2.gz POGOYPCIVASKRL-OFLPRAFFSA-N 2 1 383.330 2.795 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000566562207 564332829 /nfs/dbraw/zinc/33/28/29/564332829.db2.gz OKWKKVIJSBOONJ-ZFVVBOAOSA-N 2 1 378.314 2.614 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1O ZINC000567243055 564363085 /nfs/dbraw/zinc/36/30/85/564363085.db2.gz MQZNOEPHKWDYKT-YOEHRIQHSA-N 2 1 399.329 2.882 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](CO)Cc2ccccc2Br)s1 ZINC000511783001 564381938 /nfs/dbraw/zinc/38/19/38/564381938.db2.gz ANPYFZFYTXCGED-CYBMUJFWSA-N 2 1 398.370 2.908 20 0 GFADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479941983 564455992 /nfs/dbraw/zinc/45/59/92/564455992.db2.gz OZYQXARKVLAZLC-GASCZTMLSA-N 2 1 375.314 2.903 20 0 GFADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479941983 564455996 /nfs/dbraw/zinc/45/59/96/564455996.db2.gz OZYQXARKVLAZLC-GASCZTMLSA-N 2 1 375.314 2.903 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(F)c2Br)CC1 ZINC000571839023 564568940 /nfs/dbraw/zinc/56/89/40/564568940.db2.gz JLZUZXTVIWIONU-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000519597210 564583380 /nfs/dbraw/zinc/58/33/80/564583380.db2.gz QISSHUQGDJDLTB-MLGOLLRUSA-N 2 1 387.293 2.568 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467741 564639244 /nfs/dbraw/zinc/63/92/44/564639244.db2.gz VRUFAQQAUGEWPG-NVXWUHKLSA-N 2 1 396.329 2.606 20 0 GFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000573685256 564649588 /nfs/dbraw/zinc/64/95/88/564649588.db2.gz ZMPGTZFLJDPEAG-NJZAAPMLSA-N 2 1 384.293 2.976 20 0 GFADMP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000556920672 564846948 /nfs/dbraw/zinc/84/69/48/564846948.db2.gz IMMBGVDXOZQNRF-UHFFFAOYSA-N 2 1 387.977 2.779 20 0 GFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638787876 565211752 /nfs/dbraw/zinc/21/17/52/565211752.db2.gz NJAREINJGFBHHT-AWEZNQCLSA-N 2 1 380.334 2.949 20 0 GFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000638787876 565211758 /nfs/dbraw/zinc/21/17/58/565211758.db2.gz NJAREINJGFBHHT-AWEZNQCLSA-N 2 1 380.334 2.949 20 0 GFADMP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659324627 565212856 /nfs/dbraw/zinc/21/28/56/565212856.db2.gz HDVIAYVLACOUTC-ZDUSSCGKSA-N 2 1 392.322 2.812 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1cc(Br)cs1 ZINC000617505952 565242317 /nfs/dbraw/zinc/24/23/17/565242317.db2.gz WFPXYCGLAOYAAJ-ZDUSSCGKSA-N 2 1 390.391 2.831 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1cc(Br)cs1 ZINC000617505952 565242318 /nfs/dbraw/zinc/24/23/18/565242318.db2.gz WFPXYCGLAOYAAJ-ZDUSSCGKSA-N 2 1 390.391 2.831 20 0 GFADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCC[C@H](C)C1 ZINC000662387174 565364014 /nfs/dbraw/zinc/36/40/14/565364014.db2.gz IUNPPTHYADURHP-QWRGUYRKSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCC[C@H](C)C1 ZINC000662387174 565364021 /nfs/dbraw/zinc/36/40/21/565364021.db2.gz IUNPPTHYADURHP-QWRGUYRKSA-N 2 1 386.359 2.964 20 0 GFADMP CC[NH+]1CCC(CCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662477043 565371411 /nfs/dbraw/zinc/37/14/11/565371411.db2.gz RGJXQJOYTGGDQV-UHFFFAOYSA-N 2 1 386.359 2.966 20 0 GFADMP [NH3+][C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662575805 565378582 /nfs/dbraw/zinc/37/85/82/565378582.db2.gz QSBHEHQIBQGTNX-UAGQMJEPSA-N 2 1 392.272 2.541 20 0 GFADMP [NH3+][C@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684958 565382264 /nfs/dbraw/zinc/38/22/64/565382264.db2.gz MDSDURZHMVPTTD-IRXDYDNUSA-N 2 1 390.281 2.749 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662813467 565385608 /nfs/dbraw/zinc/38/56/08/565385608.db2.gz NENLKSHYZUOULM-CMPLNLGQSA-N 2 1 384.343 2.718 20 0 GFADMP FC(F)Oc1cccc(Cl)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000666898664 565562651 /nfs/dbraw/zinc/56/26/51/565562651.db2.gz WYMYEBZKQOVKKJ-ZDUSSCGKSA-N 2 1 387.780 2.867 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC[C@@H]21 ZINC000646249007 565591782 /nfs/dbraw/zinc/59/17/82/565591782.db2.gz BFEFFCAOOQGAOQ-RPVQJOFSSA-N 2 1 380.330 2.566 20 0 GFADMP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)Cc2ccc(Br)cc2)CC[N@H+]1C ZINC000648753929 565726176 /nfs/dbraw/zinc/72/61/76/565726176.db2.gz OADWIBNFINPDBS-RHSMWYFYSA-N 2 1 382.346 2.680 20 0 GFADMP C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000635692492 566222724 /nfs/dbraw/zinc/22/27/24/566222724.db2.gz OMWFVCLLCHUTFQ-UHFFFAOYSA-N 2 1 394.357 2.872 20 0 GFADMP c1cc(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418991 598717660 /nfs/dbraw/zinc/71/76/60/598717660.db2.gz LDYRGZWXXLZUDJ-SFHVURJKSA-N 2 1 384.528 2.834 20 0 GFADMP c1cc(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc(-c2nn[nH]n2)c1 ZINC000738418991 598717662 /nfs/dbraw/zinc/71/76/62/598717662.db2.gz LDYRGZWXXLZUDJ-SFHVURJKSA-N 2 1 384.528 2.834 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826168377 608359330 /nfs/dbraw/zinc/35/93/30/608359330.db2.gz LEQRZVNIZDJYBF-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826168377 608359332 /nfs/dbraw/zinc/35/93/32/608359332.db2.gz LEQRZVNIZDJYBF-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP C[C@H](NCCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)cc1Br ZINC000128021180 654839778 /nfs/dbraw/zinc/83/97/78/654839778.db2.gz JNOWXLLDUFFLLP-STQMWFEESA-N 2 1 386.309 2.826 20 0 GFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193973 655105532 /nfs/dbraw/zinc/10/55/32/655105532.db2.gz YKHZRBQWCYWDPI-CHWSQXEVSA-N 2 1 376.469 2.684 20 0 GFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193973 655105533 /nfs/dbraw/zinc/10/55/33/655105533.db2.gz YKHZRBQWCYWDPI-CHWSQXEVSA-N 2 1 376.469 2.684 20 0 GFADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329183 655313409 /nfs/dbraw/zinc/31/34/09/655313409.db2.gz CNWAYGMPZXTLHR-ZWKOTPCHSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000277329183 655313411 /nfs/dbraw/zinc/31/34/11/655313411.db2.gz CNWAYGMPZXTLHR-ZWKOTPCHSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000277329183 655313414 /nfs/dbraw/zinc/31/34/14/655313414.db2.gz CNWAYGMPZXTLHR-ZWKOTPCHSA-N 2 1 383.330 2.891 20 0 GFADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000786749042 657460570 /nfs/dbraw/zinc/46/05/70/657460570.db2.gz VULYBSCKYIITSU-LLVKDONJSA-N 2 1 380.798 2.861 20 0 GFADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000786749042 657460595 /nfs/dbraw/zinc/46/05/95/657460595.db2.gz VULYBSCKYIITSU-LLVKDONJSA-N 2 1 380.798 2.861 20 0 GFADMP C[NH+]1CCC(C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000788487851 657728376 /nfs/dbraw/zinc/72/83/76/657728376.db2.gz JGHPPOVFHNWYJM-HNNXBMFYSA-N 2 1 395.345 2.836 20 0 GFADMP Cc1c[nH+]cn1CC(=O)N1C[C@@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880281 662093164 /nfs/dbraw/zinc/09/31/64/662093164.db2.gz FNWNQAGTUPWLBK-INIZCTEOSA-N 2 1 391.313 2.864 20 0 GFADMP COc1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(Br)cn1 ZINC000871784499 662733576 /nfs/dbraw/zinc/73/35/76/662733576.db2.gz GTGGKVPRQSXYTE-VGPLMAKISA-N 2 1 383.290 2.724 20 0 GFADMP COc1cc(CO[NH+]=C(N)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)cn1 ZINC000871784499 662733579 /nfs/dbraw/zinc/73/35/79/662733579.db2.gz GTGGKVPRQSXYTE-VGPLMAKISA-N 2 1 383.290 2.724 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@H]1C(F)(F)F ZINC000872148956 662756577 /nfs/dbraw/zinc/75/65/77/662756577.db2.gz LTYMRYAIBGNWLF-GXFFZTMASA-N 2 1 394.235 2.847 20 0 GFADMP C[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1ncc(Br)s1 ZINC000873247365 662804648 /nfs/dbraw/zinc/80/46/48/662804648.db2.gz LNQAFMYNIAPMGZ-JTQLQIEISA-N 2 1 393.314 2.796 20 0 GFADMP C[C@@H]1C[N@H+](CCc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878323982 662893852 /nfs/dbraw/zinc/89/38/52/662893852.db2.gz FRPSHCDCDGMGKF-VQIMIIECSA-N 2 1 380.374 2.949 20 0 GFADMP C[C@@H]1C[N@@H+](CCc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878323982 662893853 /nfs/dbraw/zinc/89/38/53/662893853.db2.gz FRPSHCDCDGMGKF-VQIMIIECSA-N 2 1 380.374 2.949 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc3ccnc(Cl)c3s2)CC1 ZINC000894230251 663450000 /nfs/dbraw/zinc/45/00/00/663450000.db2.gz HUJYNEXALCITHR-UHFFFAOYSA-N 2 1 380.945 2.982 20 0 GFADMP C[C@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000903189165 663777608 /nfs/dbraw/zinc/77/76/08/663777608.db2.gz QYTGMDOFMXRCOQ-ZDUSSCGKSA-N 2 1 381.318 2.974 20 0 GFADMP C[C@@H]1CC2(C[N@@H+]1CCS(=O)(=O)c1nc3ccccc3s1)CC[NH2+]CC2 ZINC000903763429 663806121 /nfs/dbraw/zinc/80/61/21/663806121.db2.gz JSLQLXTZHDOAMS-CQSZACIVSA-N 2 1 379.551 2.534 20 0 GFADMP C[C@@H]1CC2(C[N@H+]1CCS(=O)(=O)c1nc3ccccc3s1)CC[NH2+]CC2 ZINC000903763429 663806122 /nfs/dbraw/zinc/80/61/22/663806122.db2.gz JSLQLXTZHDOAMS-CQSZACIVSA-N 2 1 379.551 2.534 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/c2ccc(Br)o2)CC1 ZINC000919860790 664518906 /nfs/dbraw/zinc/51/89/06/664518906.db2.gz IDEMSWUHWWTHDR-HWKANZROSA-N 2 1 391.269 2.841 20 0 GFADMP O=C(Nc1ccc(Br)cn1)C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923322163 664628215 /nfs/dbraw/zinc/62/82/15/664628215.db2.gz SYBOFOTZUSRPTA-UHFFFAOYSA-N 2 1 381.318 2.637 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878674 664698207 /nfs/dbraw/zinc/69/82/07/664698207.db2.gz HQLWWEOUARCSOY-DILNWQEPSA-N 2 1 382.346 2.974 20 0 GFADMP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000931484510 664796171 /nfs/dbraw/zinc/79/61/71/664796171.db2.gz VCDVGCRZAVYDCD-CYBMUJFWSA-N 2 1 388.339 2.559 20 0 GFADMP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ncc(Br)cn3)CCC2)CC1 ZINC000933321914 664859010 /nfs/dbraw/zinc/85/90/10/664859010.db2.gz NVQMENIFYIYBBS-UHFFFAOYSA-N 2 1 396.377 2.624 20 0 GFADMP CC1CC[NH+](Cc2nc3sc4c(c3c(N3C[C@@H]5C[C@]5([NH3+])C3)n2)CCC4)CC1 ZINC001164421373 718888414 /nfs/dbraw/zinc/88/84/14/718888414.db2.gz XMHRKRVCHQZRPR-QKKBWIMNSA-N 2 1 383.565 2.949 20 0 GFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426068 718918984 /nfs/dbraw/zinc/91/89/84/718918984.db2.gz WDTNGDFXFCFIMB-UNMCSNQZSA-N 2 1 388.556 2.604 20 0 GFADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(OC3CC[NH2+]CC3)nn2)cc1 ZINC001164629010 719099063 /nfs/dbraw/zinc/09/90/63/719099063.db2.gz PUEHUSXUQKTNHH-FPOVZHCZSA-N 2 1 393.535 2.708 20 0 GFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725322 720471283 /nfs/dbraw/zinc/47/12/83/720471283.db2.gz JOYIALITIRMLHC-FCHUYYIVSA-N 2 1 393.535 2.803 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164761676 721096845 /nfs/dbraw/zinc/09/68/45/721096845.db2.gz CMWGITVRYRYXSB-OALUTQOASA-N 2 1 377.492 2.935 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164761676 721096852 /nfs/dbraw/zinc/09/68/52/721096852.db2.gz CMWGITVRYRYXSB-OALUTQOASA-N 2 1 377.492 2.935 20 0 GFADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+](C[C@@H]5CCCO5)CC4)ccc3C2)cc1 ZINC001165040105 721906156 /nfs/dbraw/zinc/90/61/56/721906156.db2.gz YJYCMPVXRNOYMA-QFIPXVFZSA-N 2 1 392.547 2.941 20 0 GFADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ncnc4c2CC[NH2+]CC4)C3)c1 ZINC001164995300 722191691 /nfs/dbraw/zinc/19/16/91/722191691.db2.gz UEUYBUVFAFJHAP-JOCHJYFZSA-N 2 1 381.499 2.549 20 0 GFADMP O=C(C[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856594 552177246 /nfs/dbraw/zinc/17/72/46/552177246.db2.gz AIURATFLIGOFQV-QGZVFWFLSA-N 2 1 380.330 2.672 20 0 GFADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188686381 552452044 /nfs/dbraw/zinc/45/20/44/552452044.db2.gz VATMQZYEZVEJRN-UHFFFAOYSA-N 2 1 384.362 2.963 20 0 GFADMP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000237541256 553078839 /nfs/dbraw/zinc/07/88/39/553078839.db2.gz QHLURMKTACWNGV-SFHVURJKSA-N 2 1 380.330 2.529 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000261864236 553160970 /nfs/dbraw/zinc/16/09/70/553160970.db2.gz KQMOYLCJGMTQCA-ZFZWDLNGSA-N 2 1 380.330 2.686 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000261864236 553160973 /nfs/dbraw/zinc/16/09/73/553160973.db2.gz KQMOYLCJGMTQCA-ZFZWDLNGSA-N 2 1 380.330 2.686 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165760 563357996 /nfs/dbraw/zinc/35/79/96/563357996.db2.gz UVHDXTKIMWSKIM-LXZKKBNFSA-N 2 1 385.346 2.729 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161693 563358019 /nfs/dbraw/zinc/35/80/19/563358019.db2.gz OCKQVIVGUOYHPS-GRDNDAEWSA-N 2 1 385.346 2.729 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1C ZINC000303178109 563432820 /nfs/dbraw/zinc/43/28/20/563432820.db2.gz XUPITOLCDCWYOR-INIZCTEOSA-N 2 1 387.977 2.685 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC(OCCC[NH3+])CC2)cc1OC ZINC000321781379 563448482 /nfs/dbraw/zinc/44/84/82/563448482.db2.gz ZEYOBFSWAFCPGY-UHFFFAOYSA-N 2 1 387.318 2.796 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000376694175 563450786 /nfs/dbraw/zinc/45/07/86/563450786.db2.gz FJHYBRKQSYULOE-SZVBFZGTSA-N 2 1 381.973 2.934 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434675 563506666 /nfs/dbraw/zinc/50/66/66/563506666.db2.gz SZYCSFSBYJXOFV-JOQOYGCGSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434675 563506668 /nfs/dbraw/zinc/50/66/68/563506668.db2.gz SZYCSFSBYJXOFV-JOQOYGCGSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160202 563715551 /nfs/dbraw/zinc/71/55/51/563715551.db2.gz ALCWZDOOHPSXKZ-HOTGVXAUSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160202 563715555 /nfs/dbraw/zinc/71/55/55/563715555.db2.gz ALCWZDOOHPSXKZ-HOTGVXAUSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057315 563717457 /nfs/dbraw/zinc/71/74/57/563717457.db2.gz RJANVBRRBFGBPP-KSSFIOAISA-N 2 1 394.357 2.727 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057315 563717459 /nfs/dbraw/zinc/71/74/59/563717459.db2.gz RJANVBRRBFGBPP-KSSFIOAISA-N 2 1 394.357 2.727 20 0 GFADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746591 563752017 /nfs/dbraw/zinc/75/20/17/563752017.db2.gz SKVIUDNHYGATAQ-HNNXBMFYSA-N 2 1 394.357 2.610 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000414753382 563752028 /nfs/dbraw/zinc/75/20/28/563752028.db2.gz DMFBZGPDYLUHLW-STQMWFEESA-N 2 1 386.359 2.845 20 0 GFADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(OC(F)(F)F)c(Br)c2)CC1 ZINC000415135788 563760557 /nfs/dbraw/zinc/76/05/57/563760557.db2.gz BRUKCPFRCMGSMH-UHFFFAOYSA-N 2 1 383.208 2.633 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1(C)C ZINC000442874497 563782361 /nfs/dbraw/zinc/78/23/61/563782361.db2.gz MHOQGPFGGOXROP-GOSISDBHSA-N 2 1 380.374 2.922 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247368 563837716 /nfs/dbraw/zinc/83/77/16/563837716.db2.gz URGDHXJIPHCFJR-GRGSLBFTSA-N 2 1 397.357 2.962 20 0 GFADMP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417989395 563893745 /nfs/dbraw/zinc/89/37/45/563893745.db2.gz JMYRHNYUXIVSEW-KRWDZBQOSA-N 2 1 385.339 2.994 20 0 GFADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000538096622 564182690 /nfs/dbraw/zinc/18/26/90/564182690.db2.gz SMGDJFVVYSFRLO-UHFFFAOYSA-N 2 1 389.323 2.531 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000449681577 564195832 /nfs/dbraw/zinc/19/58/32/564195832.db2.gz MCAGDCGOMRWKSK-QGTPRVQTSA-N 2 1 397.357 2.825 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116590 564310798 /nfs/dbraw/zinc/31/07/98/564310798.db2.gz PXULMEJETGITRL-XBFCOCLRSA-N 2 1 391.737 2.915 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116583 564310971 /nfs/dbraw/zinc/31/09/71/564310971.db2.gz PXULMEJETGITRL-KWCYVHTRSA-N 2 1 391.737 2.915 20 0 GFADMP CC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555913 564317912 /nfs/dbraw/zinc/31/79/12/564317912.db2.gz YHCACVJNOAHVKL-HUUCEWRRSA-N 2 1 387.977 2.915 20 0 GFADMP Brc1ccc(-c2cnc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000514676707 564453393 /nfs/dbraw/zinc/45/33/93/564453393.db2.gz ZYWDUCHJLDQOSV-INIZCTEOSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1ccc(-c2cnc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000514676707 564453397 /nfs/dbraw/zinc/45/33/97/564453397.db2.gz ZYWDUCHJLDQOSV-INIZCTEOSA-N 2 1 391.313 2.584 20 0 GFADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)Nc1cccc(Br)c1 ZINC000514673900 564453549 /nfs/dbraw/zinc/45/35/49/564453549.db2.gz UIDOGTGJCKUQGF-QGZVFWFLSA-N 2 1 398.345 2.604 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476498 564465830 /nfs/dbraw/zinc/46/58/30/564465830.db2.gz VBIUKYNPENCNPV-HNNXBMFYSA-N 2 1 398.345 2.868 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480387028 564471226 /nfs/dbraw/zinc/47/12/26/564471226.db2.gz JJIYSXKYWGSGBG-JTQLQIEISA-N 2 1 394.766 2.841 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480387028 564471227 /nfs/dbraw/zinc/47/12/27/564471227.db2.gz JJIYSXKYWGSGBG-JTQLQIEISA-N 2 1 394.766 2.841 20 0 GFADMP C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000519597199 564583405 /nfs/dbraw/zinc/58/34/05/564583405.db2.gz QISSHUQGDJDLTB-LRDDRELGSA-N 2 1 387.293 2.568 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000549164478 564586823 /nfs/dbraw/zinc/58/68/23/564586823.db2.gz GPHUBELRBPDHCJ-UHFFFAOYSA-N 2 1 394.357 2.825 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2cccc(Br)c2)CC2CC2)CC1 ZINC000549164478 564586827 /nfs/dbraw/zinc/58/68/27/564586827.db2.gz GPHUBELRBPDHCJ-UHFFFAOYSA-N 2 1 394.357 2.825 20 0 GFADMP O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000573325167 564632910 /nfs/dbraw/zinc/63/29/10/564632910.db2.gz WDOVPMDFOVFHEF-KRWDZBQOSA-N 2 1 385.339 2.692 20 0 GFADMP O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000573325167 564632913 /nfs/dbraw/zinc/63/29/13/564632913.db2.gz WDOVPMDFOVFHEF-KRWDZBQOSA-N 2 1 385.339 2.692 20 0 GFADMP COc1ccc([C@H](CNc2cc[nH+]cc2Br)[NH+](C)C)cc1OC ZINC000553249698 564713873 /nfs/dbraw/zinc/71/38/73/564713873.db2.gz UWIDFVXCUFLNOD-HNNXBMFYSA-N 2 1 380.286 2.998 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Br)c(F)c2F)CC1(C)C ZINC000527704584 564757169 /nfs/dbraw/zinc/75/71/69/564757169.db2.gz ZTOQSBAYSMQVHX-UHFFFAOYSA-N 2 1 376.289 2.843 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NCC[NH+]2CCN(C)CC2)c1C ZINC000462919795 564863108 /nfs/dbraw/zinc/86/31/08/564863108.db2.gz NNKJUJPMWXLXOT-UHFFFAOYSA-N 2 1 377.330 2.695 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000584834334 565099795 /nfs/dbraw/zinc/09/97/95/565099795.db2.gz JUTGUNJFMLBUKL-OAHLLOKOSA-N 2 1 386.265 2.513 20 0 GFADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870733 565135271 /nfs/dbraw/zinc/13/52/71/565135271.db2.gz FFXCDGRJLHEWMC-SJLPKXTDSA-N 2 1 396.373 2.947 20 0 GFADMP C[NH+](C)[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561606 565203469 /nfs/dbraw/zinc/20/34/69/565203469.db2.gz WNBUWGBKDMPQLW-CFVMTHIKSA-N 2 1 377.838 2.928 20 0 GFADMP CO[C@@H](C[N@@H+](CCn1ccnc1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534734 565281354 /nfs/dbraw/zinc/28/13/54/565281354.db2.gz HSJNDLUDIUTCPT-ZBFHGGJFSA-N 2 1 398.301 2.792 20 0 GFADMP CO[C@@H](CN(CCn1ccnc1)Cc1ccc(Br)o1)[C@@H]1CCOC1 ZINC000660534734 565281359 /nfs/dbraw/zinc/28/13/59/565281359.db2.gz HSJNDLUDIUTCPT-ZBFHGGJFSA-N 2 1 398.301 2.792 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662337734 565361833 /nfs/dbraw/zinc/36/18/33/565361833.db2.gz DXGJRFLSOSLNBM-LBPRGKRZSA-N 2 1 384.343 2.718 20 0 GFADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662405979 565366431 /nfs/dbraw/zinc/36/64/31/565366431.db2.gz BSHVEPIAWFZQTD-OEUWWYETSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662405979 565366437 /nfs/dbraw/zinc/36/64/37/565366437.db2.gz BSHVEPIAWFZQTD-OEUWWYETSA-N 2 1 382.346 2.932 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523350 565375105 /nfs/dbraw/zinc/37/51/05/565375105.db2.gz PWQPZVXDMVBIES-VBQJREDUSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590434 565377893 /nfs/dbraw/zinc/37/78/93/565377893.db2.gz MKRHMFMDXIIROC-PBHICJAKSA-N 2 1 380.330 2.687 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364500 565415093 /nfs/dbraw/zinc/41/50/93/565415093.db2.gz ROVBIJDRVPYSBG-GJZGRUSLSA-N 2 1 389.323 2.576 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362914 565415261 /nfs/dbraw/zinc/41/52/61/565415261.db2.gz FNFWKPWMVJJSQG-HZPDHXFCSA-N 2 1 389.323 2.576 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000643083072 565421059 /nfs/dbraw/zinc/42/10/59/565421059.db2.gz QABIMLNVDYDQMR-ZBFHGGJFSA-N 2 1 385.961 2.578 20 0 GFADMP Cc1cc(Br)cc(C[N@@H+](C)CCN2CC[NH2+]CC2)c1OC(F)F ZINC000647492929 565661789 /nfs/dbraw/zinc/66/17/89/565661789.db2.gz JBXDFSVQLAOETR-UHFFFAOYSA-N 2 1 392.288 2.696 20 0 GFADMP Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000628050785 565771899 /nfs/dbraw/zinc/77/18/99/565771899.db2.gz MSJZIERDIMEVKV-ZDUSSCGKSA-N 2 1 388.325 2.898 20 0 GFADMP Cc1cc(Br)c(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000628050785 565771906 /nfs/dbraw/zinc/77/19/06/565771906.db2.gz MSJZIERDIMEVKV-ZDUSSCGKSA-N 2 1 388.325 2.898 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705666 565832880 /nfs/dbraw/zinc/83/28/80/565832880.db2.gz PNTHWDYUORVKIX-FMKPAKJESA-N 2 1 397.313 2.896 20 0 GFADMP C[C@@H](c1ccc(F)c(Br)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630593655 565911404 /nfs/dbraw/zinc/91/14/04/565911404.db2.gz OSOBACPGGHJIQS-LBPRGKRZSA-N 2 1 396.308 2.755 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ncc(Br)cc1Cl ZINC000631067658 565937178 /nfs/dbraw/zinc/93/71/78/565937178.db2.gz DTAUHLAXGRRYQW-CYBMUJFWSA-N 2 1 376.726 2.824 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699934 566082917 /nfs/dbraw/zinc/08/29/17/566082917.db2.gz HZXBZAXGBSXXJD-LSDHHAIUSA-N 2 1 389.323 2.576 20 0 GFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266834 598870912 /nfs/dbraw/zinc/87/09/12/598870912.db2.gz KMSQACHZGSUNFG-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266834 598870914 /nfs/dbraw/zinc/87/09/14/598870914.db2.gz KMSQACHZGSUNFG-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266834 598870916 /nfs/dbraw/zinc/87/09/16/598870916.db2.gz KMSQACHZGSUNFG-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266834 598870918 /nfs/dbraw/zinc/87/09/18/598870918.db2.gz KMSQACHZGSUNFG-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)CC2)oc1C ZINC000822439585 607480531 /nfs/dbraw/zinc/48/05/31/607480531.db2.gz CEIHUQCKRAMQCM-UHFFFAOYSA-N 2 1 399.474 2.612 20 0 GFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985575 608281323 /nfs/dbraw/zinc/28/13/23/608281323.db2.gz XNFWVCPFPZXCMN-UWJYYQICSA-N 2 1 392.507 2.746 20 0 GFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985575 608281324 /nfs/dbraw/zinc/28/13/24/608281324.db2.gz XNFWVCPFPZXCMN-UWJYYQICSA-N 2 1 392.507 2.746 20 0 GFADMP c1cc(C[NH2+]CCC[NH+]2CCC2)cc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000826515493 608386460 /nfs/dbraw/zinc/38/64/60/608386460.db2.gz AIEYNULTMICUOB-UHFFFAOYSA-N 2 1 378.480 2.631 20 0 GFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822617516 660350054 /nfs/dbraw/zinc/35/00/54/660350054.db2.gz UKERNTUXZLBGFL-INIZCTEOSA-N 2 1 376.372 2.837 20 0 GFADMP Brc1cccc2c(CNC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825561 660381074 /nfs/dbraw/zinc/38/10/74/660381074.db2.gz SVCDOZKQQMUJJY-LSDHHAIUSA-N 2 1 376.298 2.950 20 0 GFADMP Brc1cccc2c(CNC[C@@H]3C[N@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825561 660381075 /nfs/dbraw/zinc/38/10/75/660381075.db2.gz SVCDOZKQQMUJJY-LSDHHAIUSA-N 2 1 376.298 2.950 20 0 GFADMP CCC[N@@H+](C)C[C@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235869 654772407 /nfs/dbraw/zinc/77/24/07/654772407.db2.gz WZZQTDKHXKSTGZ-CQSZACIVSA-N 2 1 393.329 2.780 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ccc(=O)c2cccc(Br)c21 ZINC000105604703 655095881 /nfs/dbraw/zinc/09/58/81/655095881.db2.gz RHBXCLRYARLCDY-UHFFFAOYSA-N 2 1 378.314 2.995 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276419622 655275029 /nfs/dbraw/zinc/27/50/29/655275029.db2.gz CBTRSUUBGUHZHS-UHFFFAOYSA-N 2 1 393.329 2.971 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Br)cnc1Cl ZINC000842678286 661348580 /nfs/dbraw/zinc/34/85/80/661348580.db2.gz CIKYJHHVHKUWPX-CQSZACIVSA-N 2 1 376.726 2.824 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363598 661378658 /nfs/dbraw/zinc/37/86/58/661378658.db2.gz BARDERMQKIGFRP-HNNXBMFYSA-N 2 1 394.357 2.872 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1snc(Cl)c1Cl ZINC000845375230 661468056 /nfs/dbraw/zinc/46/80/56/661468056.db2.gz HCHTZDNEJLVUIL-NSHDSACASA-N 2 1 379.357 2.938 20 0 GFADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ncc(Br)cc2Cl)C1 ZINC000853685942 661897196 /nfs/dbraw/zinc/89/71/96/661897196.db2.gz REGIXNQAIKIUQN-ZDUSSCGKSA-N 2 1 391.697 2.605 20 0 GFADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ncc(Br)cc2Cl)C1 ZINC000853685942 661897198 /nfs/dbraw/zinc/89/71/98/661897198.db2.gz REGIXNQAIKIUQN-ZDUSSCGKSA-N 2 1 391.697 2.605 20 0 GFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccnc2Br)c2cccs2)CC1 ZINC000865399774 662418966 /nfs/dbraw/zinc/41/89/66/662418966.db2.gz XEGDDLPWLCDJIA-HNNXBMFYSA-N 2 1 395.370 2.984 20 0 GFADMP C[N@H+](CCCCCC[NH3+])CCS(=O)(=O)c1ccc(Br)cc1 ZINC000872155676 662757071 /nfs/dbraw/zinc/75/70/71/662757071.db2.gz YIGMCGSBVXHLKC-UHFFFAOYSA-N 2 1 377.348 2.674 20 0 GFADMP C[N@@H+](CCCCCC[NH3+])CCS(=O)(=O)c1ccc(Br)cc1 ZINC000872155676 662757074 /nfs/dbraw/zinc/75/70/74/662757074.db2.gz YIGMCGSBVXHLKC-UHFFFAOYSA-N 2 1 377.348 2.674 20 0 GFADMP CCOP(=O)(CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)OCC ZINC000876781571 662866311 /nfs/dbraw/zinc/86/63/11/662866311.db2.gz IBKZSSXYDSFCSM-MSOLQXFVSA-N 2 1 375.494 2.600 20 0 GFADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Br ZINC000877041135 662870040 /nfs/dbraw/zinc/87/00/40/662870040.db2.gz IOYKKOJMUGUMTO-HNNXBMFYSA-N 2 1 399.329 2.562 20 0 GFADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000877993843 662887730 /nfs/dbraw/zinc/88/77/30/662887730.db2.gz CZAXOTIVBDFEMX-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C[NH3+] ZINC000904410963 663833063 /nfs/dbraw/zinc/83/30/63/663833063.db2.gz RXWDDUAXUDHJNX-CABCVRRESA-N 2 1 382.346 2.702 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372337 663868248 /nfs/dbraw/zinc/86/82/48/663868248.db2.gz JXBFGXREQGPXBX-SCLBCKFNSA-N 2 1 384.307 2.671 20 0 GFADMP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389648 664598583 /nfs/dbraw/zinc/59/85/83/664598583.db2.gz IWNZNCHJSVRWEB-MXASKKJJSA-N 2 1 386.309 2.553 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389648 664598587 /nfs/dbraw/zinc/59/85/87/664598587.db2.gz IWNZNCHJSVRWEB-MXASKKJJSA-N 2 1 386.309 2.553 20 0 GFADMP O[C@@H](COc1cc(F)cc(Br)c1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923280301 664627313 /nfs/dbraw/zinc/62/73/13/664627313.db2.gz GROFXVHPFSEOHQ-MRXNPFEDSA-N 2 1 387.293 2.544 20 0 GFADMP C[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355229 664628905 /nfs/dbraw/zinc/62/89/05/664628905.db2.gz HZHAAJYEXVYYPN-SWLSCSKDSA-N 2 1 377.710 2.513 20 0 GFADMP C[C@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496918 664631335 /nfs/dbraw/zinc/63/13/35/664631335.db2.gz KHQVWGGENKUMBL-GXTWGEPZSA-N 2 1 379.302 2.840 20 0 GFADMP C[C@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496918 664631336 /nfs/dbraw/zinc/63/13/36/664631336.db2.gz KHQVWGGENKUMBL-GXTWGEPZSA-N 2 1 379.302 2.840 20 0 GFADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925598839 664673381 /nfs/dbraw/zinc/67/33/81/664673381.db2.gz MSYXIGGHJASBEM-QHEVRDBASA-N 2 1 378.314 2.672 20 0 GFADMP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000925720030 664674108 /nfs/dbraw/zinc/67/41/08/664674108.db2.gz DIFIXZOBAIJBDQ-AGCIHXOGSA-N 2 1 375.257 2.883 20 0 GFADMP C[NH+](C)CC1(O)CC[NH+](Cc2ncc(-c3ccc(Br)cc3)o2)CC1 ZINC000931485503 664796268 /nfs/dbraw/zinc/79/62/68/664796268.db2.gz LAUJISWBDIVXPU-UHFFFAOYSA-N 2 1 394.313 2.993 20 0 GFADMP C[NH+](C)CC1(O)CC[NH+](Cc2ncc(-c3ccccc3Br)o2)CC1 ZINC000931486370 664796316 /nfs/dbraw/zinc/79/63/16/664796316.db2.gz YTRFGTQLGYGNCQ-UHFFFAOYSA-N 2 1 394.313 2.993 20 0 GFADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000115545835 677395332 /nfs/dbraw/zinc/39/53/32/677395332.db2.gz DAFKMXHQXJHGPT-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000115545835 677395334 /nfs/dbraw/zinc/39/53/34/677395334.db2.gz DAFKMXHQXJHGPT-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP CCCN(CCC)c1cncc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681306 719631392 /nfs/dbraw/zinc/63/13/92/719631392.db2.gz GPHRPPLDBHTBIV-UHFFFAOYSA-N 2 1 385.560 2.775 20 0 GFADMP CCCN(CCC)c1cncc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164681306 719631395 /nfs/dbraw/zinc/63/13/95/719631395.db2.gz GPHRPPLDBHTBIV-UHFFFAOYSA-N 2 1 385.560 2.775 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815216 720198109 /nfs/dbraw/zinc/19/81/09/720198109.db2.gz XDQHSKWZBPZHGI-FYYLOGMGSA-N 2 1 384.568 2.862 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726346 720421042 /nfs/dbraw/zinc/42/10/42/720421042.db2.gz BNKMXEGDBXZXRE-SFTDATJTSA-N 2 1 393.535 2.804 20 0 GFADMP CC(C)[N@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832818 720518244 /nfs/dbraw/zinc/51/82/44/720518244.db2.gz BLMXYNJHEWLPCI-ZIFCJYIRSA-N 2 1 379.512 2.543 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3[nH+]cnc4c3ccn4C)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164832818 720518254 /nfs/dbraw/zinc/51/82/54/720518254.db2.gz BLMXYNJHEWLPCI-ZIFCJYIRSA-N 2 1 379.512 2.543 20 0 GFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000359879446 209200459 /nfs/dbraw/zinc/20/04/59/209200459.db2.gz RVEPCCBCECMKEZ-MRXNPFEDSA-N 2 1 375.542 2.964 20 0 GFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(N2CCOCC2)s1 ZINC000359879446 209200461 /nfs/dbraw/zinc/20/04/61/209200461.db2.gz RVEPCCBCECMKEZ-MRXNPFEDSA-N 2 1 375.542 2.964 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761715 553158674 /nfs/dbraw/zinc/15/86/74/553158674.db2.gz JTQUTVIRKPFEKW-KXBFYZLASA-N 2 1 394.357 2.813 20 0 GFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cnc3ccc(Br)cn23)CCCO1 ZINC000277669040 563220222 /nfs/dbraw/zinc/22/02/22/563220222.db2.gz GAJGRIXXJQHGQI-CQSZACIVSA-N 2 1 381.318 2.687 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cnc3ccc(Br)cn23)CCCO1 ZINC000277669040 563220226 /nfs/dbraw/zinc/22/02/26/563220226.db2.gz GAJGRIXXJQHGQI-CQSZACIVSA-N 2 1 381.318 2.687 20 0 GFADMP Cn1ncc(Br)c1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000278549680 563261218 /nfs/dbraw/zinc/26/12/18/563261218.db2.gz UVQNDTPPOZTDMI-UHFFFAOYSA-N 2 1 381.318 2.803 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491680 563279433 /nfs/dbraw/zinc/27/94/33/563279433.db2.gz UPSDBVKSSPDAFM-OLZOCXBDSA-N 2 1 377.286 2.886 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372047934 563294267 /nfs/dbraw/zinc/29/42/67/563294267.db2.gz VSDDAZISFBYRGD-XOSAIJSUSA-N 2 1 385.350 2.513 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372047934 563294269 /nfs/dbraw/zinc/29/42/69/563294269.db2.gz VSDDAZISFBYRGD-XOSAIJSUSA-N 2 1 385.350 2.513 20 0 GFADMP CC[C@H](C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C)[NH+](C)C ZINC000413842242 563707258 /nfs/dbraw/zinc/70/72/58/563707258.db2.gz HSQFQDLEKTUDLE-CZUORRHYSA-N 2 1 397.361 2.868 20 0 GFADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160204 563715565 /nfs/dbraw/zinc/71/55/65/563715565.db2.gz ALCWZDOOHPSXKZ-JKSUJKDBSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160204 563715568 /nfs/dbraw/zinc/71/55/68/563715568.db2.gz ALCWZDOOHPSXKZ-JKSUJKDBSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@H]1c2cccc(Br)c2CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741786 563752094 /nfs/dbraw/zinc/75/20/94/563752094.db2.gz FSFFAFCOJNMEHJ-KBPBESRZSA-N 2 1 380.330 2.566 20 0 GFADMP C[NH2+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418177536 563900788 /nfs/dbraw/zinc/90/07/88/563900788.db2.gz XWJJUZSCFSCSHR-CQSZACIVSA-N 2 1 380.842 2.784 20 0 GFADMP C[NH2+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418177536 563900789 /nfs/dbraw/zinc/90/07/89/563900789.db2.gz XWJJUZSCFSCSHR-CQSZACIVSA-N 2 1 380.842 2.784 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604690 564192082 /nfs/dbraw/zinc/19/20/82/564192082.db2.gz XYCMIYLPPJTABC-YESZJQIVSA-N 2 1 397.357 2.825 20 0 GFADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000506939457 564214357 /nfs/dbraw/zinc/21/43/57/564214357.db2.gz LYTJWHMJCRILMO-UHFFFAOYSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1cccc(Br)c1 ZINC000506939457 564214362 /nfs/dbraw/zinc/21/43/62/564214362.db2.gz LYTJWHMJCRILMO-UHFFFAOYSA-N 2 1 380.330 2.624 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3ccc(Br)cc32)CC1 ZINC000539970015 564234520 /nfs/dbraw/zinc/23/45/20/564234520.db2.gz ZPPVAWPMZNYCLK-KRWDZBQOSA-N 2 1 380.330 2.580 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccsc1 ZINC000509894579 564316657 /nfs/dbraw/zinc/31/66/57/564316657.db2.gz PBYYNLQKUXUHDH-UHFFFAOYSA-N 2 1 385.599 2.565 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000513969698 564443928 /nfs/dbraw/zinc/44/39/28/564443928.db2.gz BLCDQEGDXPENNO-LJQANCHMSA-N 2 1 375.563 2.921 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000513969698 564443930 /nfs/dbraw/zinc/44/39/30/564443930.db2.gz BLCDQEGDXPENNO-LJQANCHMSA-N 2 1 375.563 2.921 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232109 564454580 /nfs/dbraw/zinc/45/45/80/564454580.db2.gz JYELKKIIMJZPIL-HOCLYGCPSA-N 2 1 391.339 2.824 20 0 GFADMP O=C(C[NH2+][C@H](c1ccccc1)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000570953509 564528675 /nfs/dbraw/zinc/52/86/75/564528675.db2.gz IEIMDPURVCPVQL-LJQANCHMSA-N 2 1 388.309 2.560 20 0 GFADMP C[C@@H](C[N@H+](C)CCC(=O)N1CC[NH+](C)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000549165310 564587389 /nfs/dbraw/zinc/58/73/89/564587389.db2.gz KKADCIIUXLZYEY-AWEZNQCLSA-N 2 1 388.339 2.857 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1)Oc1ccc(Cl)c(Cl)c1 ZINC000549165310 564587391 /nfs/dbraw/zinc/58/73/91/564587391.db2.gz KKADCIIUXLZYEY-AWEZNQCLSA-N 2 1 388.339 2.857 20 0 GFADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1cc(Br)ccc1F ZINC000459568848 564751481 /nfs/dbraw/zinc/75/14/81/564751481.db2.gz KFRLQMGGTDSWNX-CYBMUJFWSA-N 2 1 385.321 2.956 20 0 GFADMP Fc1c(Br)ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000530223386 564872994 /nfs/dbraw/zinc/87/29/94/564872994.db2.gz UYMPBJGHLKFKCZ-FPMFFAJLSA-N 2 1 375.257 2.974 20 0 GFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463425137 564880294 /nfs/dbraw/zinc/88/02/94/564880294.db2.gz SAFPBIYZPJRALO-UHFFFAOYSA-N 2 1 396.373 2.912 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1SCCc2sccc21 ZINC000463627261 564885169 /nfs/dbraw/zinc/88/51/69/564885169.db2.gz JGDAMDVTAQSPNH-MAUKXSAKSA-N 2 1 381.611 2.953 20 0 GFADMP COC[C@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CCCC[NH2+]1 ZINC000638294438 565191061 /nfs/dbraw/zinc/19/10/61/565191061.db2.gz QTPBOHJHHZATCO-KRWDZBQOSA-N 2 1 384.318 2.608 20 0 GFADMP C[N@@H+]1CCN(CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1(C)C ZINC000639137181 565229075 /nfs/dbraw/zinc/22/90/75/565229075.db2.gz UCEBERBRHSKXDW-UHFFFAOYSA-N 2 1 381.318 2.706 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1(C)C ZINC000639137181 565229078 /nfs/dbraw/zinc/22/90/78/565229078.db2.gz UCEBERBRHSKXDW-UHFFFAOYSA-N 2 1 381.318 2.706 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617503323 565242687 /nfs/dbraw/zinc/24/26/87/565242687.db2.gz DZSHPNVMYGZEEI-JCGIZDLHSA-N 2 1 396.373 2.941 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1cccc(Br)c1 ZINC000617503323 565242691 /nfs/dbraw/zinc/24/26/91/565242691.db2.gz DZSHPNVMYGZEEI-JCGIZDLHSA-N 2 1 396.373 2.941 20 0 GFADMP Cn1ccnc1[C@@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128032 565255208 /nfs/dbraw/zinc/25/52/08/565255208.db2.gz HWXZJDMJRHRIKT-LLVKDONJSA-N 2 1 388.269 2.731 20 0 GFADMP Cn1ccnc1[C@@H]1CC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128032 565255212 /nfs/dbraw/zinc/25/52/12/565255212.db2.gz HWXZJDMJRHRIKT-LLVKDONJSA-N 2 1 388.269 2.731 20 0 GFADMP N[C@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341499 565361623 /nfs/dbraw/zinc/36/16/23/565361623.db2.gz QMHLJBYGWKXWFA-YJBOKZPZSA-N 2 1 388.309 2.840 20 0 GFADMP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341499 565361629 /nfs/dbraw/zinc/36/16/29/565361629.db2.gz QMHLJBYGWKXWFA-YJBOKZPZSA-N 2 1 388.309 2.840 20 0 GFADMP CCC[NH+]1CCC(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662431616 565367401 /nfs/dbraw/zinc/36/74/01/565367401.db2.gz KQMSOJMSZDFAET-UHFFFAOYSA-N 2 1 386.359 2.966 20 0 GFADMP C[NH2+][C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707517 565383388 /nfs/dbraw/zinc/38/33/88/565383388.db2.gz GGKHNVFUPPQPGY-SUMWQHHRSA-N 2 1 386.323 2.623 20 0 GFADMP [NH3+][C@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000662980360 565391084 /nfs/dbraw/zinc/39/10/84/565391084.db2.gz ONSHBNBSMCJXLS-KRWDZBQOSA-N 2 1 380.330 2.687 20 0 GFADMP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Nc1cccc(Br)c1 ZINC000663363335 565414815 /nfs/dbraw/zinc/41/48/15/565414815.db2.gz JPDXWSPEBCLJSR-QGZVFWFLSA-N 2 1 396.329 2.621 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cc(Br)cs1 ZINC000663705494 565431281 /nfs/dbraw/zinc/43/12/81/565431281.db2.gz WRNXSMRUIULTBH-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cc(Br)cs1 ZINC000663705494 565431286 /nfs/dbraw/zinc/43/12/86/565431286.db2.gz WRNXSMRUIULTBH-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP CC[C@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547470 565435510 /nfs/dbraw/zinc/43/55/10/565435510.db2.gz FVXVKCLJCYNOKM-HOCLYGCPSA-N 2 1 385.961 2.964 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1cc(F)cc(Br)c1)CCO2 ZINC000646105944 565586950 /nfs/dbraw/zinc/58/69/50/565586950.db2.gz NCYIERTXYODHNK-UHFFFAOYSA-N 2 1 387.293 2.764 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1cc(F)cc(Br)c1)CCO2 ZINC000646105944 565586953 /nfs/dbraw/zinc/58/69/53/565586953.db2.gz NCYIERTXYODHNK-UHFFFAOYSA-N 2 1 387.293 2.764 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@](C)([NH3+])c3ccc(Br)cc3)CC[C@H]21 ZINC000646249005 565591700 /nfs/dbraw/zinc/59/17/00/565591700.db2.gz BFEFFCAOOQGAOQ-MZMPZRCHSA-N 2 1 380.330 2.566 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978392 565685931 /nfs/dbraw/zinc/68/59/31/565685931.db2.gz RIMHFUHOHXYGBZ-INMHGKMJSA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978392 565685937 /nfs/dbraw/zinc/68/59/37/565685937.db2.gz RIMHFUHOHXYGBZ-INMHGKMJSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]21 ZINC000629519368 565858151 /nfs/dbraw/zinc/85/81/51/565858151.db2.gz PWSPYQSLGHODSO-DNNBLBMLSA-N 2 1 378.314 2.762 20 0 GFADMP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939747 566219732 /nfs/dbraw/zinc/21/97/32/566219732.db2.gz KNBDBLJNSLCKPO-LUKYLMHMSA-N 2 1 383.989 2.890 20 0 GFADMP C[NH+]1CCN(CCCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817575306 660201196 /nfs/dbraw/zinc/20/11/96/660201196.db2.gz HDTIMQMTERMSNE-OAHLLOKOSA-N 2 1 387.391 2.974 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2Cl)CC1 ZINC000819043099 660244368 /nfs/dbraw/zinc/24/43/68/660244368.db2.gz PGYLBKURFBMFAR-KRWDZBQOSA-N 2 1 388.339 2.559 20 0 GFADMP Brc1cccc2c(CNC[C@H]3C[N@@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825559 660381061 /nfs/dbraw/zinc/38/10/61/660381061.db2.gz SVCDOZKQQMUJJY-GJZGRUSLSA-N 2 1 376.298 2.950 20 0 GFADMP Brc1cccc2c(CNC[C@H]3C[N@H+]4CCC[C@H]4CO3)ccnc12 ZINC000823825559 660381064 /nfs/dbraw/zinc/38/10/64/660381064.db2.gz SVCDOZKQQMUJJY-GJZGRUSLSA-N 2 1 376.298 2.950 20 0 GFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(I)cnn2C)C1 ZINC000894181171 663446972 /nfs/dbraw/zinc/44/69/72/663446972.db2.gz WQZNYRAJPIVWSI-ZDUSSCGKSA-N 2 1 390.313 2.626 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178672145 655307767 /nfs/dbraw/zinc/30/77/67/655307767.db2.gz XRCQFFRSWWVPGC-OAHLLOKOSA-N 2 1 398.370 2.740 20 0 GFADMP C[N@H+]1CCC[C@@H]1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000575916087 655439864 /nfs/dbraw/zinc/43/98/64/655439864.db2.gz OYROIMPZTXKVBV-GOSISDBHSA-N 2 1 394.357 2.966 20 0 GFADMP C[NH+]1CCC(O)(C[NH2+]Cc2csc(COc3ccc(Cl)cc3)n2)CC1 ZINC000265847290 655491755 /nfs/dbraw/zinc/49/17/55/655491755.db2.gz HMHIZPQSFKHSKK-UHFFFAOYSA-N 2 1 381.929 2.922 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000840830081 661193964 /nfs/dbraw/zinc/19/39/64/661193964.db2.gz BZCNQSBKLUEZAQ-HNNXBMFYSA-N 2 1 380.524 2.694 20 0 GFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775391004 656636176 /nfs/dbraw/zinc/63/61/76/656636176.db2.gz BMTFIFZCFLVMGN-CENDIDJXSA-N 2 1 378.607 2.839 20 0 GFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000775391004 656636185 /nfs/dbraw/zinc/63/61/85/656636185.db2.gz BMTFIFZCFLVMGN-CENDIDJXSA-N 2 1 378.607 2.839 20 0 GFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CCO1 ZINC000785432811 657364259 /nfs/dbraw/zinc/36/42/59/657364259.db2.gz CAJSOQCXBOVDOP-CQSZACIVSA-N 2 1 393.329 2.693 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CCO1 ZINC000785432811 657364263 /nfs/dbraw/zinc/36/42/63/657364263.db2.gz CAJSOQCXBOVDOP-CQSZACIVSA-N 2 1 393.329 2.693 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000801512259 659400351 /nfs/dbraw/zinc/40/03/51/659400351.db2.gz RVLSGKFNTFZELG-GOSISDBHSA-N 2 1 394.357 2.620 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2Cc2ccc(Br)cc2)CC1 ZINC000801512259 659400357 /nfs/dbraw/zinc/40/03/57/659400357.db2.gz RVLSGKFNTFZELG-GOSISDBHSA-N 2 1 394.357 2.620 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111224 661368806 /nfs/dbraw/zinc/36/88/06/661368806.db2.gz FDBBBZGYWIJMJA-FZKQIMNGSA-N 2 1 384.307 2.671 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910276 662707891 /nfs/dbraw/zinc/70/78/91/662707891.db2.gz NCKPZXDVVGCEGL-WBAXXEDZSA-N 2 1 392.341 2.924 20 0 GFADMP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1nc(Br)cs1 ZINC000873242362 662804519 /nfs/dbraw/zinc/80/45/19/662804519.db2.gz ANSSLSKCZIETBA-SNVBAGLBSA-N 2 1 393.314 2.796 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422560 663070452 /nfs/dbraw/zinc/07/04/52/663070452.db2.gz ZUVCCCMQUOBCKW-RHSMWYFYSA-N 2 1 380.330 2.687 20 0 GFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000902385389 663760610 /nfs/dbraw/zinc/76/06/10/663760610.db2.gz TXGHWOSBYQKGSO-CQSZACIVSA-N 2 1 378.460 2.977 20 0 GFADMP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@H]1C(C)C ZINC000922392720 664599202 /nfs/dbraw/zinc/59/92/02/664599202.db2.gz GQGKDUIGZQZEMZ-BHTHQVBYSA-N 2 1 388.375 2.865 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@H]1C(C)C ZINC000922392720 664599203 /nfs/dbraw/zinc/59/92/03/664599203.db2.gz GQGKDUIGZQZEMZ-BHTHQVBYSA-N 2 1 388.375 2.865 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395159 664599412 /nfs/dbraw/zinc/59/94/12/664599412.db2.gz UJHGHYZWIVMYOW-ZJPYXAASSA-N 2 1 382.346 2.804 20 0 GFADMP [NH3+]C[C@@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371656 664629111 /nfs/dbraw/zinc/62/91/11/664629111.db2.gz CXBKMMZEDOJSSY-NVXWUHKLSA-N 2 1 389.309 2.825 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ccnc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164679583 719643439 /nfs/dbraw/zinc/64/34/39/719643439.db2.gz HXRMDJXXNNTLHC-UHFFFAOYSA-N 2 1 376.508 2.739 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccnc(Cc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164679583 719643446 /nfs/dbraw/zinc/64/34/46/719643446.db2.gz HXRMDJXXNNTLHC-UHFFFAOYSA-N 2 1 376.508 2.739 20 0 GFADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817876 720162203 /nfs/dbraw/zinc/16/22/03/720162203.db2.gz QPYMZPDFQHDFJB-UGKGYDQZSA-N 2 1 385.556 2.652 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817876 720162207 /nfs/dbraw/zinc/16/22/07/720162207.db2.gz QPYMZPDFQHDFJB-UGKGYDQZSA-N 2 1 385.556 2.652 20 0 GFADMP c1csc(C[NH+]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@@H]3C2)n1 ZINC001164788278 721421550 /nfs/dbraw/zinc/42/15/50/721421550.db2.gz RSBJNLMORKVZBJ-ROUUACIJSA-N 2 1 399.564 2.581 20 0 GFADMP Cc1[nH+]c(N2CC[C@@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc2[nH]ccc21 ZINC001164889543 721429602 /nfs/dbraw/zinc/42/96/02/721429602.db2.gz BMGYMCLOYRVAKP-XMSQKQJNSA-N 2 1 383.540 2.637 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)[nH+]1 ZINC001164980456 722124239 /nfs/dbraw/zinc/12/42/39/722124239.db2.gz RFBIYJFBUUSJHX-NQIIRXRSSA-N 2 1 377.492 2.994 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000359870553 209196852 /nfs/dbraw/zinc/19/68/52/209196852.db2.gz IYMNXGOFLDVXJM-BFYDXBDKSA-N 2 1 387.446 2.958 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000152679763 551438209 /nfs/dbraw/zinc/43/82/09/551438209.db2.gz HVUIGYVOSBEYTL-PBHICJAKSA-N 2 1 382.346 2.889 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178856264 552177204 /nfs/dbraw/zinc/17/72/04/552177204.db2.gz SWOUVSKGUTYGIO-OAHLLOKOSA-N 2 1 380.330 2.529 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181458939 552257225 /nfs/dbraw/zinc/25/72/25/552257225.db2.gz OSAXTBYUFPHKPT-RHSMWYFYSA-N 2 1 382.346 2.858 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000181458939 552257228 /nfs/dbraw/zinc/25/72/28/552257228.db2.gz OSAXTBYUFPHKPT-RHSMWYFYSA-N 2 1 382.346 2.858 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](CO)c2cccc(Br)c2)CC1 ZINC000191604068 552532998 /nfs/dbraw/zinc/53/29/98/552532998.db2.gz FDJKTEJOHXYRRX-LJQANCHMSA-N 2 1 398.389 2.830 20 0 GFADMP [NH3+]Cc1nc(C(=O)NCC2CC[NH+](Cc3ccccc3Cl)CC2)cs1 ZINC000238032852 553085082 /nfs/dbraw/zinc/08/50/82/553085082.db2.gz YEYLKLXBLDZFLK-UHFFFAOYSA-N 2 1 378.929 2.897 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000247883450 553126563 /nfs/dbraw/zinc/12/65/63/553126563.db2.gz CHOBRQITMZYPQT-KYJSFNMBSA-N 2 1 383.330 2.605 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000247883450 553126566 /nfs/dbraw/zinc/12/65/66/553126566.db2.gz CHOBRQITMZYPQT-KYJSFNMBSA-N 2 1 383.330 2.605 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261647105 553155204 /nfs/dbraw/zinc/15/52/04/553155204.db2.gz JFEONVGHMKRNHH-YOEHRIQHSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261647105 553155206 /nfs/dbraw/zinc/15/52/06/553155206.db2.gz JFEONVGHMKRNHH-YOEHRIQHSA-N 2 1 398.320 2.668 20 0 GFADMP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000261745095 553158118 /nfs/dbraw/zinc/15/81/18/553158118.db2.gz MDGLQRZAJFLXDT-QWQRMKEZSA-N 2 1 382.346 2.860 20 0 GFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3c(Br)cnn3C)CC2)oc1C ZINC000278494063 563258943 /nfs/dbraw/zinc/25/89/43/563258943.db2.gz MMQKVVRFVCNHNY-UHFFFAOYSA-N 2 1 396.333 2.789 20 0 GFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731790 563348434 /nfs/dbraw/zinc/34/84/34/563348434.db2.gz MHLITCMFUORHAY-RDTXWAMCSA-N 2 1 390.325 2.727 20 0 GFADMP COc1cc2[nH+]ccc(NCC[N@H+]3CCCOCC3)c2cc1Br ZINC000425251555 563414645 /nfs/dbraw/zinc/41/46/45/563414645.db2.gz FNZUSUXBESTJPU-UHFFFAOYSA-N 2 1 380.286 2.562 20 0 GFADMP CC[N@@H+]1CCc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc2C1 ZINC000411258320 563612313 /nfs/dbraw/zinc/61/23/13/563612313.db2.gz UXXGAVPEDVYWSM-AWEZNQCLSA-N 2 1 380.583 2.677 20 0 GFADMP CC[N@H+]1CCc2nc(NC(=O)C3CC[NH+]([C@H]4CCSC4)CC3)sc2C1 ZINC000411258320 563612315 /nfs/dbraw/zinc/61/23/15/563612315.db2.gz UXXGAVPEDVYWSM-AWEZNQCLSA-N 2 1 380.583 2.677 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2OC)CC1 ZINC000411624044 563626127 /nfs/dbraw/zinc/62/61/27/563626127.db2.gz XGNWNDQIBHOAGI-CYBMUJFWSA-N 2 1 398.345 2.709 20 0 GFADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000290142750 563699528 /nfs/dbraw/zinc/69/95/28/563699528.db2.gz MPDXNBKSFKDQSK-ZWKOTPCHSA-N 2 1 394.357 2.918 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757173 563751711 /nfs/dbraw/zinc/75/17/11/563751711.db2.gz SASHIJBEORLQSN-DYVFJYSZSA-N 2 1 398.320 2.922 20 0 GFADMP CC[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759391 563752988 /nfs/dbraw/zinc/75/29/88/563752988.db2.gz ODXTYNGIDJTODI-ZBFHGGJFSA-N 2 1 394.357 2.783 20 0 GFADMP FC(F)(F)[C@H](C[NH2+]Cc1csc(-c2ccsc2)n1)N1CC[NH2+]CC1 ZINC000414983933 563756048 /nfs/dbraw/zinc/75/60/48/563756048.db2.gz LVCVRNHTXGOSLQ-ZDUSSCGKSA-N 2 1 376.473 2.797 20 0 GFADMP C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418168896 563900518 /nfs/dbraw/zinc/90/05/18/563900518.db2.gz MMFYRZVJYKYMKQ-SMDDNHRTSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@@H](C[NH3+])NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418168896 563900519 /nfs/dbraw/zinc/90/05/19/563900519.db2.gz MMFYRZVJYKYMKQ-SMDDNHRTSA-N 2 1 380.842 2.912 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000449127306 563906808 /nfs/dbraw/zinc/90/68/08/563906808.db2.gz WCLVYIJDQZHYLF-UHFFFAOYSA-N 2 1 386.309 2.621 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136666 563907529 /nfs/dbraw/zinc/90/75/29/563907529.db2.gz VTOLOEMQKOQPJO-WBMJQRKESA-N 2 1 398.320 2.753 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136666 563907530 /nfs/dbraw/zinc/90/75/30/563907530.db2.gz VTOLOEMQKOQPJO-WBMJQRKESA-N 2 1 398.320 2.753 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3c2cccc3Br)CC1 ZINC000538101500 564182528 /nfs/dbraw/zinc/18/25/28/564182528.db2.gz SQPHXEOHGGRSEF-SFHVURJKSA-N 2 1 394.357 2.969 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[NH+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266338 564183466 /nfs/dbraw/zinc/18/34/66/564183466.db2.gz NBUFXFWEKKCYNI-IAGOWNOFSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@H+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266338 564183470 /nfs/dbraw/zinc/18/34/70/564183470.db2.gz NBUFXFWEKKCYNI-IAGOWNOFSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@@H+](C)[C@@H]3CCSC3)C2)s1 ZINC000563266338 564183473 /nfs/dbraw/zinc/18/34/73/564183473.db2.gz NBUFXFWEKKCYNI-IAGOWNOFSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000563952461 564214475 /nfs/dbraw/zinc/21/44/75/564214475.db2.gz IKSJZOZMEMXXCN-INIZCTEOSA-N 2 1 382.302 2.764 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000514119034 564445588 /nfs/dbraw/zinc/44/55/88/564445588.db2.gz QEZKTELDWAMLTQ-HNNXBMFYSA-N 2 1 386.323 2.611 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000514119034 564445590 /nfs/dbraw/zinc/44/55/90/564445590.db2.gz QEZKTELDWAMLTQ-HNNXBMFYSA-N 2 1 386.323 2.611 20 0 GFADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(Br)o3)cn2)CC1 ZINC000480635210 564479995 /nfs/dbraw/zinc/47/99/95/564479995.db2.gz KEOHMSXJUQQKKG-UHFFFAOYSA-N 2 1 379.302 2.869 20 0 GFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703853 564587952 /nfs/dbraw/zinc/58/79/52/564587952.db2.gz LCJZPQJUVHIRJZ-ROUUACIJSA-N 2 1 387.362 2.849 20 0 GFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703853 564587955 /nfs/dbraw/zinc/58/79/55/564587955.db2.gz LCJZPQJUVHIRJZ-ROUUACIJSA-N 2 1 387.362 2.849 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc(I)c2)CCCO1 ZINC000573227735 564629094 /nfs/dbraw/zinc/62/90/94/564629094.db2.gz VVKWYTXLEQNPLK-AWEZNQCLSA-N 2 1 388.293 2.882 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000552227511 564682969 /nfs/dbraw/zinc/68/29/69/564682969.db2.gz AVIKOPBNZJQLKL-BRWVUGGUSA-N 2 1 385.599 2.741 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000552227511 564682972 /nfs/dbraw/zinc/68/29/72/564682972.db2.gz AVIKOPBNZJQLKL-BRWVUGGUSA-N 2 1 385.599 2.741 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000525779433 564708161 /nfs/dbraw/zinc/70/81/61/564708161.db2.gz JYEJUCACBJRMOQ-GOSISDBHSA-N 2 1 396.373 2.928 20 0 GFADMP COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(Br)c1O ZINC000530248304 564873154 /nfs/dbraw/zinc/87/31/54/564873154.db2.gz IMZUJLHGGAYQED-HNNXBMFYSA-N 2 1 399.329 2.754 20 0 GFADMP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1sccc1Br ZINC000531967887 564925847 /nfs/dbraw/zinc/92/58/47/564925847.db2.gz GSQTUMDDTCKKCH-AWEZNQCLSA-N 2 1 390.391 2.551 20 0 GFADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657871245 565135234 /nfs/dbraw/zinc/13/52/34/565135234.db2.gz SXIAUSHXOXCUBM-LBPRGKRZSA-N 2 1 388.737 2.917 20 0 GFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000660035310 565242229 /nfs/dbraw/zinc/24/22/29/565242229.db2.gz VWHCMCHIUSOLHG-QGZVFWFLSA-N 2 1 385.346 2.746 20 0 GFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000660035310 565242233 /nfs/dbraw/zinc/24/22/33/565242233.db2.gz VWHCMCHIUSOLHG-QGZVFWFLSA-N 2 1 385.346 2.746 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617504189 565242584 /nfs/dbraw/zinc/24/25/84/565242584.db2.gz JXYNCBUCIKRLMQ-HNNXBMFYSA-N 2 1 396.373 2.869 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccc(Br)cc2)CC1 ZINC000617504189 565242587 /nfs/dbraw/zinc/24/25/87/565242587.db2.gz JXYNCBUCIKRLMQ-HNNXBMFYSA-N 2 1 396.373 2.869 20 0 GFADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264055 565358252 /nfs/dbraw/zinc/35/82/52/565358252.db2.gz POCYCGGUNJLRKR-YJBOKZPZSA-N 2 1 394.357 2.649 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662336667 565361506 /nfs/dbraw/zinc/36/15/06/565361506.db2.gz HKFVBOQWNGOPJK-CMPLNLGQSA-N 2 1 384.343 2.718 20 0 GFADMP C[NH2+][C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1Cl ZINC000662357230 565363444 /nfs/dbraw/zinc/36/34/44/565363444.db2.gz UIAITRJFAIIXQF-QGZVFWFLSA-N 2 1 379.291 2.998 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662451517 565369157 /nfs/dbraw/zinc/36/91/57/565369157.db2.gz DKPNXNRRUNTJRI-LLVKDONJSA-N 2 1 384.343 2.814 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793058 565417874 /nfs/dbraw/zinc/41/78/74/565417874.db2.gz BXRPFJQVWFGWSN-HIFRSBDPSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000642793058 565417881 /nfs/dbraw/zinc/41/78/81/565417881.db2.gz BXRPFJQVWFGWSN-HIFRSBDPSA-N 2 1 385.961 2.730 20 0 GFADMP Cc1nc(C)c(Br)c(NCc2cccnc2N2CCN(C)CC2)n1 ZINC000663440584 565421084 /nfs/dbraw/zinc/42/10/84/565421084.db2.gz IFMISCPOUFAWHE-UHFFFAOYSA-N 2 1 391.317 2.615 20 0 GFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524074 565480875 /nfs/dbraw/zinc/48/08/75/565480875.db2.gz PGFIUWILHGKPHV-OWCLPIDISA-N 2 1 387.293 2.544 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563390 565859330 /nfs/dbraw/zinc/85/93/30/565859330.db2.gz DXUKPQKTJKWZNO-UONOGXRCSA-N 2 1 377.838 2.805 20 0 GFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1-c1nn[nH]n1 ZINC000821809280 599422082 /nfs/dbraw/zinc/42/20/82/599422082.db2.gz NBKYNZFYWUNJLS-MRXNPFEDSA-N 2 1 398.536 2.939 20 0 GFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1-c1nn[nH]n1 ZINC000821809280 599422085 /nfs/dbraw/zinc/42/20/85/599422085.db2.gz NBKYNZFYWUNJLS-MRXNPFEDSA-N 2 1 398.536 2.939 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195643 607030879 /nfs/dbraw/zinc/03/08/79/607030879.db2.gz ZDKOPALDKYNNPH-CRAIPNDOSA-N 2 1 377.496 2.952 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000822195643 607030881 /nfs/dbraw/zinc/03/08/81/607030881.db2.gz ZDKOPALDKYNNPH-CRAIPNDOSA-N 2 1 377.496 2.952 20 0 GFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625449 609407674 /nfs/dbraw/zinc/40/76/74/609407674.db2.gz IHPLJSWPZXKOKD-IIBYNOLFSA-N 2 1 392.507 2.674 20 0 GFADMP COc1cc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966568 660212760 /nfs/dbraw/zinc/21/27/60/660212760.db2.gz QCMPYPFADBQQGO-YVEFUNNKSA-N 2 1 376.469 2.732 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872545 655183415 /nfs/dbraw/zinc/18/34/15/655183415.db2.gz AXLMYTBBNAJMHW-SJLPKXTDSA-N 2 1 397.357 2.997 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872545 655183418 /nfs/dbraw/zinc/18/34/18/655183418.db2.gz AXLMYTBBNAJMHW-SJLPKXTDSA-N 2 1 397.357 2.997 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1Br ZINC000120475626 655336807 /nfs/dbraw/zinc/33/68/07/655336807.db2.gz WCXBFUABWJOBEN-AWEZNQCLSA-N 2 1 398.349 2.724 20 0 GFADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296297827 655368419 /nfs/dbraw/zinc/36/84/19/655368419.db2.gz FTYGJWWDJPZPRY-BTFYYFJDSA-N 2 1 385.961 2.914 20 0 GFADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296297827 655368422 /nfs/dbraw/zinc/36/84/22/655368422.db2.gz FTYGJWWDJPZPRY-BTFYYFJDSA-N 2 1 385.961 2.914 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261931938 655443011 /nfs/dbraw/zinc/44/30/11/655443011.db2.gz LQAMIZNTLOSLKX-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261931938 655443015 /nfs/dbraw/zinc/44/30/15/655443015.db2.gz LQAMIZNTLOSLKX-GUYCJALGSA-N 2 1 398.320 2.668 20 0 GFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCS(=O)(=O)NC(C)(C)C)CC1 ZINC000579314702 655497709 /nfs/dbraw/zinc/49/77/09/655497709.db2.gz HNTFAZPALYCXOQ-UHFFFAOYSA-N 2 1 375.623 2.973 20 0 GFADMP C[N@@H+](CCCCCC[NH3+])CC(=O)Nc1ccccc1I ZINC000710724521 655522453 /nfs/dbraw/zinc/52/24/53/655522453.db2.gz NGBUKNQDXGOUPN-UHFFFAOYSA-N 2 1 389.281 2.681 20 0 GFADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000779649047 656935987 /nfs/dbraw/zinc/93/59/87/656935987.db2.gz GYDPCJWMRUZPGR-CQSZACIVSA-N 2 1 389.283 2.540 20 0 GFADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000779649047 656935992 /nfs/dbraw/zinc/93/59/92/656935992.db2.gz GYDPCJWMRUZPGR-CQSZACIVSA-N 2 1 389.283 2.540 20 0 GFADMP C[N@@H+](CCCn1ccnc1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844698042 661435125 /nfs/dbraw/zinc/43/51/25/661435125.db2.gz MJEUAYMHSWEZJK-UHFFFAOYSA-N 2 1 389.297 2.851 20 0 GFADMP CN(CCCn1ccnc1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844698042 661435128 /nfs/dbraw/zinc/43/51/28/661435128.db2.gz MJEUAYMHSWEZJK-UHFFFAOYSA-N 2 1 389.297 2.851 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000849098179 661691896 /nfs/dbraw/zinc/69/18/96/661691896.db2.gz FZQQOJDHJPVXSK-HIFRSBDPSA-N 2 1 383.334 2.815 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000851904397 661845573 /nfs/dbraw/zinc/84/55/73/661845573.db2.gz VWBOWPWEQNELRI-GFCCVEGCSA-N 2 1 375.274 2.886 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022932 661849548 /nfs/dbraw/zinc/84/95/48/661849548.db2.gz OOVJXYDSNPQFKS-CQSZACIVSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022932 661849549 /nfs/dbraw/zinc/84/95/49/661849549.db2.gz OOVJXYDSNPQFKS-CQSZACIVSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022932 661849552 /nfs/dbraw/zinc/84/95/52/661849552.db2.gz OOVJXYDSNPQFKS-CQSZACIVSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022932 661849553 /nfs/dbraw/zinc/84/95/53/661849553.db2.gz OOVJXYDSNPQFKS-CQSZACIVSA-N 2 1 398.374 2.864 20 0 GFADMP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877015756 662869690 /nfs/dbraw/zinc/86/96/90/662869690.db2.gz BIQKGERBKAIZGX-ZDUSSCGKSA-N 2 1 389.769 2.861 20 0 GFADMP CSC[C@@H]1CCC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](CSC)C2)C1 ZINC000930561068 664773415 /nfs/dbraw/zinc/77/34/15/664773415.db2.gz TZPUVWDAPUUSJY-KURKYZTESA-N 2 1 387.659 2.641 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]2C1 ZINC000931433066 664794777 /nfs/dbraw/zinc/79/47/77/664794777.db2.gz OAUMWTRPRRKQLB-OLZOCXBDSA-N 2 1 384.293 2.800 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]2C1 ZINC000931433066 664794782 /nfs/dbraw/zinc/79/47/82/664794782.db2.gz OAUMWTRPRRKQLB-OLZOCXBDSA-N 2 1 384.293 2.800 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@@H]2C1 ZINC000931433066 664794784 /nfs/dbraw/zinc/79/47/84/664794784.db2.gz OAUMWTRPRRKQLB-OLZOCXBDSA-N 2 1 384.293 2.800 20 0 GFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426066 718919110 /nfs/dbraw/zinc/91/91/10/718919110.db2.gz WDTNGDFXFCFIMB-RBBKRZOGSA-N 2 1 388.556 2.604 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726343 720419796 /nfs/dbraw/zinc/41/97/96/720419796.db2.gz BNKMXEGDBXZXRE-RTWAWAEBSA-N 2 1 393.535 2.804 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C[NH+](C)C)ccn3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164838754 720625932 /nfs/dbraw/zinc/62/59/32/720625932.db2.gz LMKBODYWJGPVFJ-QHAWAJNXSA-N 2 1 382.556 2.718 20 0 GFADMP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740518 720842938 /nfs/dbraw/zinc/84/29/38/720842938.db2.gz CFIGPSDSGOCRPY-WAOWUJCRSA-N 2 1 391.523 2.842 20 0 GFADMP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164789847 721464012 /nfs/dbraw/zinc/46/40/12/721464012.db2.gz XRIFBVRNMIMNQD-LJQANCHMSA-N 2 1 388.556 2.706 20 0 GFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164789847 721464013 /nfs/dbraw/zinc/46/40/13/721464013.db2.gz XRIFBVRNMIMNQD-LJQANCHMSA-N 2 1 388.556 2.706 20 0 GFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@@H]3C2)c1 ZINC001164985506 722131099 /nfs/dbraw/zinc/13/10/99/722131099.db2.gz ZRJXBKIRFQOACY-IRLDBZIGSA-N 2 1 393.535 2.804 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000359870593 209198533 /nfs/dbraw/zinc/19/85/33/209198533.db2.gz IYMNXGOFLDVXJM-INMHGKMJSA-N 2 1 387.446 2.958 20 0 GFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000430616986 563546406 /nfs/dbraw/zinc/54/64/06/563546406.db2.gz JBIRMVCRRRAVME-AWEZNQCLSA-N 2 1 388.293 2.992 20 0 GFADMP C[N@H+](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCSC1 ZINC000126516585 551330821 /nfs/dbraw/zinc/33/08/21/551330821.db2.gz BOIXIRUHOXPINF-SFHVURJKSA-N 2 1 379.595 2.654 20 0 GFADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@H]1CCSC1 ZINC000126516585 551330824 /nfs/dbraw/zinc/33/08/24/551330824.db2.gz BOIXIRUHOXPINF-SFHVURJKSA-N 2 1 379.595 2.654 20 0 GFADMP Cc1ccc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)[nH+]c1 ZINC000163493863 551620004 /nfs/dbraw/zinc/62/00/04/551620004.db2.gz DRUMPAMIJACYCB-CQSZACIVSA-N 2 1 378.318 2.996 20 0 GFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)c(Br)c1 ZINC000219901496 553054996 /nfs/dbraw/zinc/05/49/96/553054996.db2.gz LIOSVTJSGCKWDV-UHFFFAOYSA-N 2 1 391.151 2.549 20 0 GFADMP C[N@@H+](CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)Cc1ccccc1 ZINC000261664053 553155589 /nfs/dbraw/zinc/15/55/89/553155589.db2.gz FLNUCVYCGITHAP-LJQANCHMSA-N 2 1 390.325 2.871 20 0 GFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871591 553161849 /nfs/dbraw/zinc/16/18/49/553161849.db2.gz XWYQJOLDYWKNCN-KDOFPFPSSA-N 2 1 382.346 2.717 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372047932 563294144 /nfs/dbraw/zinc/29/41/44/563294144.db2.gz VSDDAZISFBYRGD-MUIFIZLQSA-N 2 1 385.350 2.513 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372047932 563294146 /nfs/dbraw/zinc/29/41/46/563294146.db2.gz VSDDAZISFBYRGD-MUIFIZLQSA-N 2 1 385.350 2.513 20 0 GFADMP C[C@@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422879194 563349633 /nfs/dbraw/zinc/34/96/33/563349633.db2.gz LQZMHGYIBLWDRI-GFCCVEGCSA-N 2 1 377.286 2.727 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423163417 563357586 /nfs/dbraw/zinc/35/75/86/563357586.db2.gz RDDSFOQHFQRKGR-STQMWFEESA-N 2 1 394.313 2.767 20 0 GFADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000395161353 563531015 /nfs/dbraw/zinc/53/10/15/563531015.db2.gz UGXXHCXKQISJBT-CRAIPNDOSA-N 2 1 394.357 2.838 20 0 GFADMP Brc1cnn(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000285734075 563534485 /nfs/dbraw/zinc/53/44/85/563534485.db2.gz QYFVAKZQXGTMRP-UHFFFAOYSA-N 2 1 377.330 2.942 20 0 GFADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604231 563546392 /nfs/dbraw/zinc/54/63/92/563546392.db2.gz PTDLJVUABONWLY-CABCVRRESA-N 2 1 380.330 2.654 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)c2ccccc2Br)CC1 ZINC000411471646 563620304 /nfs/dbraw/zinc/62/03/04/563620304.db2.gz FTZLXEGVUIYKSX-UHFFFAOYSA-N 2 1 382.346 2.874 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289473939 563675199 /nfs/dbraw/zinc/67/51/99/563675199.db2.gz JIBNAHCJGRTPRA-CYBMUJFWSA-N 2 1 389.301 2.961 20 0 GFADMP Cc1cc(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)cc1Br ZINC000362378884 563706133 /nfs/dbraw/zinc/70/61/33/563706133.db2.gz DBDPQZVQSMPFKM-HNNXBMFYSA-N 2 1 394.357 2.964 20 0 GFADMP Cc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000362378884 563706135 /nfs/dbraw/zinc/70/61/35/563706135.db2.gz DBDPQZVQSMPFKM-HNNXBMFYSA-N 2 1 394.357 2.964 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751743 563751527 /nfs/dbraw/zinc/75/15/27/563751527.db2.gz JEFMHRNVAYMCHV-KRWDZBQOSA-N 2 1 394.357 2.858 20 0 GFADMP COc1ccc(Br)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415045281 563757194 /nfs/dbraw/zinc/75/71/94/563757194.db2.gz BITGATAMJPRINF-UHFFFAOYSA-N 2 1 382.346 2.764 20 0 GFADMP [NH3+]C1(CNCc2cncc(Br)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000415137843 563760458 /nfs/dbraw/zinc/76/04/58/563760458.db2.gz UGUXWZNOQZPCDK-UHFFFAOYSA-N 2 1 389.341 2.927 20 0 GFADMP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417574798 563883811 /nfs/dbraw/zinc/88/38/11/563883811.db2.gz RXPAXWIAENFBLM-KRWDZBQOSA-N 2 1 385.339 2.994 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F ZINC000449600584 564190667 /nfs/dbraw/zinc/19/06/67/564190667.db2.gz ONHOTBBHVPBLMZ-ZDUSSCGKSA-N 2 1 396.304 2.990 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680711 564195414 /nfs/dbraw/zinc/19/54/14/564195414.db2.gz KMZYWNODBHKQHV-RKVPGOIHSA-N 2 1 399.373 2.929 20 0 GFADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000475718981 564317617 /nfs/dbraw/zinc/31/76/17/564317617.db2.gz DVOSVEJXSHRNHV-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000475718981 564317620 /nfs/dbraw/zinc/31/76/20/564317620.db2.gz DVOSVEJXSHRNHV-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000510990646 564352713 /nfs/dbraw/zinc/35/27/13/564352713.db2.gz DCQQNKRVAJUOTD-OAHLLOKOSA-N 2 1 398.326 2.852 20 0 GFADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000477861460 564389723 /nfs/dbraw/zinc/38/97/23/564389723.db2.gz NLMTVOSHKLUFPF-CXAGYDPISA-N 2 1 398.345 2.507 20 0 GFADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)Nc1ccc(Br)cc1 ZINC000567876744 564393636 /nfs/dbraw/zinc/39/36/36/564393636.db2.gz YCWROUKTXWTVGP-QGZVFWFLSA-N 2 1 398.345 2.604 20 0 GFADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Br)cc1F ZINC000567889746 564394511 /nfs/dbraw/zinc/39/45/11/564394511.db2.gz QFAACUODQTYNFG-QGZVFWFLSA-N 2 1 384.293 2.992 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000517733084 564541507 /nfs/dbraw/zinc/54/15/07/564541507.db2.gz WVBYCYJNEMHOJY-NVXWUHKLSA-N 2 1 385.346 2.899 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000572274733 564588022 /nfs/dbraw/zinc/58/80/22/564588022.db2.gz LYNOJJDUEZNLJX-CJNGLKHVSA-N 2 1 382.302 2.620 20 0 GFADMP CCN(CC)CCS(=O)(=O)NC[C@H](c1cccc(Cl)c1)N1CCCC1 ZINC000572891526 564614213 /nfs/dbraw/zinc/61/42/13/564614213.db2.gz FTIFCHLZTQPQKU-GOSISDBHSA-N 2 1 387.977 2.738 20 0 GFADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467743 564639344 /nfs/dbraw/zinc/63/93/44/564639344.db2.gz VRUFAQQAUGEWPG-WBVHZDCISA-N 2 1 396.329 2.606 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000459565086 564751729 /nfs/dbraw/zinc/75/17/29/564751729.db2.gz FUOCFDQWHSSPFT-OAHLLOKOSA-N 2 1 397.357 2.825 20 0 GFADMP C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490983273 564784110 /nfs/dbraw/zinc/78/41/10/564784110.db2.gz BTXZGERAXIQFHY-QFBILLFUSA-N 2 1 396.373 2.786 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)COc1cc(F)cc(Br)c1 ZINC000582296601 564839547 /nfs/dbraw/zinc/83/95/47/564839547.db2.gz OVHIVDDCSAPCQX-INIZCTEOSA-N 2 1 387.293 2.544 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000582355365 564842996 /nfs/dbraw/zinc/84/29/96/564842996.db2.gz IASHRHYMRSIXAC-CZUORRHYSA-N 2 1 382.302 2.620 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)ccc1Cl ZINC000497534404 564870158 /nfs/dbraw/zinc/87/01/58/564870158.db2.gz QHNUAHYRZLSORQ-INIZCTEOSA-N 2 1 387.977 2.685 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1O ZINC000530248122 564872711 /nfs/dbraw/zinc/87/27/11/564872711.db2.gz GNAGVFPLFHHOII-HNNXBMFYSA-N 2 1 399.329 2.754 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038105 564890333 /nfs/dbraw/zinc/89/03/33/564890333.db2.gz QINAIEQUWWMSTC-SJORKVTESA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038105 564890337 /nfs/dbraw/zinc/89/03/37/564890337.db2.gz QINAIEQUWWMSTC-SJORKVTESA-N 2 1 381.611 2.774 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535157210 565006516 /nfs/dbraw/zinc/00/65/16/565006516.db2.gz UVLBVNJKGWLPNH-MRXNPFEDSA-N 2 1 391.940 2.516 20 0 GFADMP O=C([C@@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1)N1CC[NH2+]CC1 ZINC000469995487 565034363 /nfs/dbraw/zinc/03/43/63/565034363.db2.gz AZVUVLKYEDHQQV-CQSZACIVSA-N 2 1 376.551 2.515 20 0 GFADMP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(Br)c1O ZINC000536689947 565045176 /nfs/dbraw/zinc/04/51/76/565045176.db2.gz ILZAQINXULOWRF-UHFFFAOYSA-N 2 1 386.334 2.500 20 0 GFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cncc(Br)c3)cc2)C1 ZINC000657594859 565112018 /nfs/dbraw/zinc/11/20/18/565112018.db2.gz DRSKBYVBOBYKAH-GOSISDBHSA-N 2 1 376.298 2.701 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617504789 565242811 /nfs/dbraw/zinc/24/28/11/565242811.db2.gz KLZZQHHCOKLCCH-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)c(Br)c1 ZINC000617504789 565242818 /nfs/dbraw/zinc/24/28/18/565242818.db2.gz KLZZQHHCOKLCCH-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP [NH3+]CC1(O)CC[NH+](Cc2cccc(OCC(F)(F)F)c2Br)CC1 ZINC000662283356 565359056 /nfs/dbraw/zinc/35/90/56/565359056.db2.gz MPPUDPSUWARMRQ-UHFFFAOYSA-N 2 1 397.235 2.676 20 0 GFADMP C[NH2+][C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(Cl)c1Cl ZINC000662357229 565362983 /nfs/dbraw/zinc/36/29/83/565362983.db2.gz UIAITRJFAIIXQF-KRWDZBQOSA-N 2 1 379.291 2.998 20 0 GFADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403448 565366226 /nfs/dbraw/zinc/36/62/26/565366226.db2.gz MCRSTTYAEQQYAO-QWRGUYRKSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403448 565366230 /nfs/dbraw/zinc/36/62/30/565366230.db2.gz MCRSTTYAEQQYAO-QWRGUYRKSA-N 2 1 386.359 2.964 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662451518 565368585 /nfs/dbraw/zinc/36/85/85/565368585.db2.gz DKPNXNRRUNTJRI-NSHDSACASA-N 2 1 384.343 2.814 20 0 GFADMP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1Br ZINC000662504120 565372704 /nfs/dbraw/zinc/37/27/04/565372704.db2.gz QGWFYFDERXWAGV-QGZVFWFLSA-N 2 1 380.330 2.926 20 0 GFADMP C[NH2+][C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Cl)c1Cl ZINC000662568653 565377134 /nfs/dbraw/zinc/37/71/34/565377134.db2.gz IJBPEOSWDRLXPR-PVAVHDDUSA-N 2 1 386.323 2.609 20 0 GFADMP C[NH2+][C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972051 565390840 /nfs/dbraw/zinc/39/08/40/565390840.db2.gz HNJFURWDNSLDKY-DYVFJYSZSA-N 2 1 388.339 2.823 20 0 GFADMP C[C@]([NH3+])(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004811 565392069 /nfs/dbraw/zinc/39/20/69/565392069.db2.gz RSBQOBZQFUPRDR-HNAYVOBHSA-N 2 1 394.357 2.861 20 0 GFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524072 565480133 /nfs/dbraw/zinc/48/01/33/565480133.db2.gz PGFIUWILHGKPHV-BZUAXINKSA-N 2 1 387.293 2.544 20 0 GFADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1cccc(Br)c1 ZINC000644636816 565486753 /nfs/dbraw/zinc/48/67/53/565486753.db2.gz XWBCBNCBIAGZKX-OFLPRAFFSA-N 2 1 383.330 2.795 20 0 GFADMP COCC[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1ccc(Br)s1 ZINC000623356819 565505580 /nfs/dbraw/zinc/50/55/80/565505580.db2.gz JHJMCJKJXNCPIK-UHFFFAOYSA-N 2 1 387.347 2.959 20 0 GFADMP Cc1nc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000666722131 565553634 /nfs/dbraw/zinc/55/36/34/565553634.db2.gz LSGQYVLLCXCWTP-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000666722131 565553638 /nfs/dbraw/zinc/55/36/38/565553638.db2.gz LSGQYVLLCXCWTP-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723197 565833986 /nfs/dbraw/zinc/83/39/86/565833986.db2.gz ITLUKOGBVDFJRX-OIISXLGYSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723197 565833990 /nfs/dbraw/zinc/83/39/90/565833990.db2.gz ITLUKOGBVDFJRX-OIISXLGYSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]21 ZINC000629519373 565857756 /nfs/dbraw/zinc/85/77/56/565857756.db2.gz PWSPYQSLGHODSO-DUFGSWQCSA-N 2 1 378.314 2.762 20 0 GFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccncc2Br)c2cccs2)CC1 ZINC000631030035 565933689 /nfs/dbraw/zinc/93/36/89/565933689.db2.gz ILWSKCKAKXLTGO-INIZCTEOSA-N 2 1 395.370 2.984 20 0 GFADMP C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000631682397 565967536 /nfs/dbraw/zinc/96/75/36/565967536.db2.gz AILLADFDNJMPRI-CYBMUJFWSA-N 2 1 381.318 2.974 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265453 598870277 /nfs/dbraw/zinc/87/02/77/598870277.db2.gz AZNSURGMIVRIMY-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265453 598870279 /nfs/dbraw/zinc/87/02/79/598870279.db2.gz AZNSURGMIVRIMY-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265453 598870281 /nfs/dbraw/zinc/87/02/81/598870281.db2.gz AZNSURGMIVRIMY-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265453 598870283 /nfs/dbraw/zinc/87/02/83/598870283.db2.gz AZNSURGMIVRIMY-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@@H](C)C1 ZINC000825593764 608512706 /nfs/dbraw/zinc/51/27/06/608512706.db2.gz DBOTUYDMMXFZRL-ORYQWCPZSA-N 2 1 398.555 2.971 20 0 GFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824983785 609330950 /nfs/dbraw/zinc/33/09/50/609330950.db2.gz CSOYRIGGIPIQSB-QLFBSQMISA-N 2 1 376.480 2.546 20 0 GFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240967 655167074 /nfs/dbraw/zinc/16/70/74/655167074.db2.gz WPFVHZHWQFIWST-QGZVFWFLSA-N 2 1 385.346 2.995 20 0 GFADMP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000274734975 655199482 /nfs/dbraw/zinc/19/94/82/655199482.db2.gz BNDYBSMLVMUECE-SJORKVTESA-N 2 1 383.330 2.925 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000113516153 655211755 /nfs/dbraw/zinc/21/17/55/655211755.db2.gz YMEUVBWKKBCBRG-AWEZNQCLSA-N 2 1 388.293 2.944 20 0 GFADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000178671423 655307771 /nfs/dbraw/zinc/30/77/71/655307771.db2.gz BCZJCOYREYHBAJ-ZIAGYGMSSA-N 2 1 388.339 2.903 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978586 655363684 /nfs/dbraw/zinc/36/36/84/655363684.db2.gz BNDYUKSJDCWEHX-SJCJKPOMSA-N 2 1 379.302 2.580 20 0 GFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261943978 655443226 /nfs/dbraw/zinc/44/32/26/655443226.db2.gz NDLAXZDPYJFIIH-HNNXBMFYSA-N 2 1 382.346 2.847 20 0 GFADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834969 655504512 /nfs/dbraw/zinc/50/45/12/655504512.db2.gz MYSXTGFXVUWQBB-RVKKMQEKSA-N 2 1 392.341 2.876 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000746676411 655766410 /nfs/dbraw/zinc/76/64/10/655766410.db2.gz UVRLHZMAYXVRSY-QZTJIDSGSA-N 2 1 385.346 2.915 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000746676411 655766411 /nfs/dbraw/zinc/76/64/11/655766411.db2.gz UVRLHZMAYXVRSY-QZTJIDSGSA-N 2 1 385.346 2.915 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000760500089 655982776 /nfs/dbraw/zinc/98/27/76/655982776.db2.gz QGBGZULXFZFGRG-ROUUACIJSA-N 2 1 380.989 2.891 20 0 GFADMP C[N@H+]1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000760500089 655982778 /nfs/dbraw/zinc/98/27/78/655982778.db2.gz QGBGZULXFZFGRG-ROUUACIJSA-N 2 1 380.989 2.891 20 0 GFADMP Cc1cc(Br)cc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000774983527 656580577 /nfs/dbraw/zinc/58/05/77/656580577.db2.gz OGIKDUGTSLHSMY-QGZVFWFLSA-N 2 1 382.346 2.790 20 0 GFADMP Cc1cc(Br)cc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000774983527 656580580 /nfs/dbraw/zinc/58/05/80/656580580.db2.gz OGIKDUGTSLHSMY-QGZVFWFLSA-N 2 1 382.346 2.790 20 0 GFADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Br)cc(F)c2F)C1 ZINC000844765766 661438629 /nfs/dbraw/zinc/43/86/29/661438629.db2.gz DKKNKIPNTKVRBI-ZDUSSCGKSA-N 2 1 392.244 2.835 20 0 GFADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2cc(Br)cc(F)c2F)C1 ZINC000844765766 661438631 /nfs/dbraw/zinc/43/86/31/661438631.db2.gz DKKNKIPNTKVRBI-ZDUSSCGKSA-N 2 1 392.244 2.835 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147753 662756673 /nfs/dbraw/zinc/75/66/73/662756673.db2.gz DKMDWAVNIBSONG-CMPLNLGQSA-N 2 1 379.810 2.746 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147753 662756675 /nfs/dbraw/zinc/75/66/75/662756675.db2.gz DKMDWAVNIBSONG-CMPLNLGQSA-N 2 1 379.810 2.746 20 0 GFADMP C[N@@H+]1CC[C@@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726520 662786762 /nfs/dbraw/zinc/78/67/62/662786762.db2.gz RPKKKAUWHDGOLN-CJNGLKHVSA-N 2 1 376.298 2.748 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726520 662786766 /nfs/dbraw/zinc/78/67/66/662786766.db2.gz RPKKKAUWHDGOLN-CJNGLKHVSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726520 662786769 /nfs/dbraw/zinc/78/67/69/662786769.db2.gz RPKKKAUWHDGOLN-CJNGLKHVSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726520 662786771 /nfs/dbraw/zinc/78/67/71/662786771.db2.gz RPKKKAUWHDGOLN-CJNGLKHVSA-N 2 1 376.298 2.748 20 0 GFADMP [NH3+]C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1(F)F ZINC000876888507 662867643 /nfs/dbraw/zinc/86/76/43/662867643.db2.gz CRQDTQJRVYCOOL-HUUCEWRRSA-N 2 1 392.277 2.914 20 0 GFADMP COCC[N@@H+](CC(=O)Nc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879124743 662917900 /nfs/dbraw/zinc/91/79/00/662917900.db2.gz BPSCFQLTPBTXPM-UHFFFAOYSA-N 2 1 398.345 2.678 20 0 GFADMP COCC[N@H+](CC(=O)Nc1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879124743 662917904 /nfs/dbraw/zinc/91/79/04/662917904.db2.gz BPSCFQLTPBTXPM-UHFFFAOYSA-N 2 1 398.345 2.678 20 0 GFADMP COCC[N@@H+](C[C@H](O)c1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879126219 662917941 /nfs/dbraw/zinc/91/79/41/662917941.db2.gz VRPUMPRNLUQILU-SFHVURJKSA-N 2 1 385.346 2.773 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229914 663067410 /nfs/dbraw/zinc/06/74/10/663067410.db2.gz DMVVIQXHVPPRDW-PBHICJAKSA-N 2 1 380.330 2.639 20 0 GFADMP COc1cc2[nH+]ccc(N3CCN(C)CC[N@H+](C)CC3)c2cc1Br ZINC000897093542 663591657 /nfs/dbraw/zinc/59/16/57/663591657.db2.gz HFVPNHSFSDNLKB-UHFFFAOYSA-N 2 1 393.329 2.690 20 0 GFADMP COc1cc2[nH+]ccc(N3CCN(C)CC[N@@H+](C)CC3)c2cc1Br ZINC000897093542 663591661 /nfs/dbraw/zinc/59/16/61/663591661.db2.gz HFVPNHSFSDNLKB-UHFFFAOYSA-N 2 1 393.329 2.690 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091023 663852231 /nfs/dbraw/zinc/85/22/31/663852231.db2.gz XDADFGCNXXWGGQ-IRXDYDNUSA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091023 663852233 /nfs/dbraw/zinc/85/22/33/663852233.db2.gz XDADFGCNXXWGGQ-IRXDYDNUSA-N 2 1 388.339 2.559 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cccc(Cl)c3Br)nn2)CC1 ZINC000905834949 663895179 /nfs/dbraw/zinc/89/51/79/663895179.db2.gz XVGJNQPZJXLLKJ-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000912303148 664281443 /nfs/dbraw/zinc/28/14/43/664281443.db2.gz ILYSAVMCNPBVMF-ZDUSSCGKSA-N 2 1 388.325 2.898 20 0 GFADMP Cc1ccc(F)c(Br)c1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000912303148 664281446 /nfs/dbraw/zinc/28/14/46/664281446.db2.gz ILYSAVMCNPBVMF-ZDUSSCGKSA-N 2 1 388.325 2.898 20 0 GFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923393824 664629412 /nfs/dbraw/zinc/62/94/12/664629412.db2.gz YQADRDXDAMVZMG-RAIGVLPGSA-N 2 1 377.710 2.654 20 0 GFADMP C[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1C[NH3+] ZINC000923496921 664631371 /nfs/dbraw/zinc/63/13/71/664631371.db2.gz KHQVWGGENKUMBL-OCCSQVGLSA-N 2 1 379.302 2.840 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1C[NH3+] ZINC000923496921 664631373 /nfs/dbraw/zinc/63/13/73/664631373.db2.gz KHQVWGGENKUMBL-OCCSQVGLSA-N 2 1 379.302 2.840 20 0 GFADMP O=C(Nc1nc2ccsc2s1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926039558 664679634 /nfs/dbraw/zinc/67/96/34/664679634.db2.gz STXXVNAEYMJWJX-BETUJISGSA-N 2 1 377.539 2.790 20 0 GFADMP Cc1c(Br)cncc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000934273455 664897025 /nfs/dbraw/zinc/89/70/25/664897025.db2.gz NIFSONVMHYKHKQ-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1c(Br)cncc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000934273455 664897026 /nfs/dbraw/zinc/89/70/26/664897026.db2.gz NIFSONVMHYKHKQ-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(-c3ccc(F)cc3)ncn2)c2c1CC[NH2+]C2 ZINC001164680170 719643660 /nfs/dbraw/zinc/64/36/60/719643660.db2.gz QXWIVLHGHYPQMC-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(-c3ccc(F)cc3)ncn2)c2c1CC[NH2+]C2 ZINC001164680170 719643673 /nfs/dbraw/zinc/64/36/73/719643673.db2.gz QXWIVLHGHYPQMC-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ncccc2F)[C@@H]2CO[C@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692513 719760727 /nfs/dbraw/zinc/76/07/27/719760727.db2.gz UPUANANYQZCMOS-PGRDOPGGSA-N 2 1 397.498 2.869 20 0 GFADMP COCc1nn(-c2nc(C[NH+]3CCCC3)nc3sc(C)c(C)c32)c2c1C[NH2+]C2 ZINC001164713971 720078755 /nfs/dbraw/zinc/07/87/55/720078755.db2.gz VHLMAFMRAAWLJV-UHFFFAOYSA-N 2 1 398.536 2.839 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(C[NH+](C)C)ccn3)CC[C@@H]21 ZINC001164838751 720624250 /nfs/dbraw/zinc/62/42/50/720624250.db2.gz LMKBODYWJGPVFJ-ACRUOGEOSA-N 2 1 382.556 2.718 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739960 720833316 /nfs/dbraw/zinc/83/33/16/720833316.db2.gz BDJBYPGOEBAVOB-SFHLNBCPSA-N 2 1 396.539 2.840 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739961 720833546 /nfs/dbraw/zinc/83/35/46/720833546.db2.gz BDJBYPGOEBAVOB-SVFBPWRDSA-N 2 1 396.539 2.840 20 0 GFADMP COCCn1ccc2c1nc[nH+]c2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864198 720969263 /nfs/dbraw/zinc/96/92/63/720969263.db2.gz ZIZRSMJNIHBGHS-MRXNPFEDSA-N 2 1 397.527 2.696 20 0 GFADMP COCCn1ccc2c1nc[nH+]c2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@H]1C ZINC001164864198 720969271 /nfs/dbraw/zinc/96/92/71/720969271.db2.gz ZIZRSMJNIHBGHS-MRXNPFEDSA-N 2 1 397.527 2.696 20 0 GFADMP CN(Cc1ccc(Br)s1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000179696350 552200275 /nfs/dbraw/zinc/20/02/75/552200275.db2.gz HDVSDDWJTBPKKD-UHFFFAOYSA-N 2 1 396.358 2.684 20 0 GFADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000261653344 553154981 /nfs/dbraw/zinc/15/49/81/553154981.db2.gz FQEODZXWPZZHID-GFCCVEGCSA-N 2 1 376.353 2.872 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000371089938 563265475 /nfs/dbraw/zinc/26/54/75/563265475.db2.gz RFEMPUKPSZMHTC-QGZVFWFLSA-N 2 1 376.372 2.883 20 0 GFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731788 563348541 /nfs/dbraw/zinc/34/85/41/563348541.db2.gz MHLITCMFUORHAY-KDOFPFPSSA-N 2 1 390.325 2.727 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049735 563353208 /nfs/dbraw/zinc/35/32/08/563353208.db2.gz KPKKUJAZUDSJND-GVDBMIGSSA-N 2 1 381.314 2.631 20 0 GFADMP C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1c[nH+]ccc1N ZINC000423167191 563357983 /nfs/dbraw/zinc/35/79/83/563357983.db2.gz DSJMEFVTNHKVEU-WCQYABFASA-N 2 1 382.277 2.898 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101291 563405116 /nfs/dbraw/zinc/40/51/16/563405116.db2.gz ZLLCGDOKYBAPFP-HIFRSBDPSA-N 2 1 397.361 2.583 20 0 GFADMP Cn1ncc(Br)c1C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426164159 563445609 /nfs/dbraw/zinc/44/56/09/563445609.db2.gz XSDQBQYHNDUZAM-UHFFFAOYSA-N 2 1 378.318 2.926 20 0 GFADMP Cn1ncc(Br)c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426164159 563445612 /nfs/dbraw/zinc/44/56/12/563445612.db2.gz XSDQBQYHNDUZAM-UHFFFAOYSA-N 2 1 378.318 2.926 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898363 563490276 /nfs/dbraw/zinc/49/02/76/563490276.db2.gz BQWFSBOHTWCFFG-RTBURBONSA-N 2 1 396.373 2.583 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898363 563490277 /nfs/dbraw/zinc/49/02/77/563490277.db2.gz BQWFSBOHTWCFFG-RTBURBONSA-N 2 1 396.373 2.583 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360890179 563695039 /nfs/dbraw/zinc/69/50/39/563695039.db2.gz XTXNEHNNCQLOMZ-COXVUDFISA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000360890179 563695042 /nfs/dbraw/zinc/69/50/42/563695042.db2.gz XTXNEHNNCQLOMZ-COXVUDFISA-N 2 1 396.329 2.619 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828256 563753649 /nfs/dbraw/zinc/75/36/49/563753649.db2.gz LYSIOLZUWGHXGJ-AWEZNQCLSA-N 2 1 399.329 2.789 20 0 GFADMP C[N@@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C[C@@H](O)C[NH3+] ZINC000415068638 563757664 /nfs/dbraw/zinc/75/76/64/563757664.db2.gz NHMFNABAOJAURR-HNNXBMFYSA-N 2 1 382.291 2.997 20 0 GFADMP C[N@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C[C@@H](O)C[NH3+] ZINC000415068638 563757666 /nfs/dbraw/zinc/75/76/66/563757666.db2.gz NHMFNABAOJAURR-HNNXBMFYSA-N 2 1 382.291 2.997 20 0 GFADMP [NH3+]CC1(O)CC[NH+](Cc2csc(-c3cccc(Br)c3)n2)CC1 ZINC000415146389 563761088 /nfs/dbraw/zinc/76/10/88/563761088.db2.gz YOVYWOSYAZCIFU-UHFFFAOYSA-N 2 1 382.327 2.858 20 0 GFADMP Cc1nn(C)c(CN2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1Br ZINC000365949282 563796181 /nfs/dbraw/zinc/79/61/81/563796181.db2.gz ILPWAAXONASQNB-OKILXGFUSA-N 2 1 399.377 2.812 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000416028500 563803128 /nfs/dbraw/zinc/80/31/28/563803128.db2.gz JZPGPOOADFFOAB-MJBXVCDLSA-N 2 1 378.826 2.664 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000416028500 563803131 /nfs/dbraw/zinc/80/31/31/563803131.db2.gz JZPGPOOADFFOAB-MJBXVCDLSA-N 2 1 378.826 2.664 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444263281 563826238 /nfs/dbraw/zinc/82/62/38/563826238.db2.gz FAUSRXXGZMJZNX-MJGOQNOKSA-N 2 1 392.341 2.529 20 0 GFADMP Cc1c([C@H](C)[NH2+]CCOCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000447597474 563883489 /nfs/dbraw/zinc/88/34/89/563883489.db2.gz GEYCQNKTVRQQFD-ZDUSSCGKSA-N 2 1 396.333 2.567 20 0 GFADMP CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417887386 563890925 /nfs/dbraw/zinc/89/09/25/563890925.db2.gz KOTZZUSMRKIWDS-CQSZACIVSA-N 2 1 397.361 2.711 20 0 GFADMP O=C(C[NH2+]Cc1cc(F)cc(Br)c1)NCC[NH+]1CCCCCC1 ZINC000449341952 564181844 /nfs/dbraw/zinc/18/18/44/564181844.db2.gz XWPYRDRLQPTXLX-UHFFFAOYSA-N 2 1 386.309 2.670 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000505791127 564189943 /nfs/dbraw/zinc/18/99/43/564189943.db2.gz VJLUFSLQWNMLLN-CQSZACIVSA-N 2 1 388.375 2.999 20 0 GFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683853 564195840 /nfs/dbraw/zinc/19/58/40/564195840.db2.gz OCSNFWJKCYRKCQ-HRCADAONSA-N 2 1 385.321 2.956 20 0 GFADMP Ic1ccc(OCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000511038152 564354753 /nfs/dbraw/zinc/35/47/53/564354753.db2.gz NVKIZUVJSAMYHG-HUUCEWRRSA-N 2 1 386.277 2.886 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](CO)Cc2cccc(Br)c2)s1 ZINC000511783414 564382478 /nfs/dbraw/zinc/38/24/78/564382478.db2.gz CLNLOYXATXITEY-AWEZNQCLSA-N 2 1 398.370 2.908 20 0 GFADMP CCn1cc(Br)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000512361403 564398939 /nfs/dbraw/zinc/39/89/39/564398939.db2.gz BCENOIDWCYANSI-INIZCTEOSA-N 2 1 399.377 2.759 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(=O)Nc2ccc(Br)cc2)CCCO1 ZINC000569476499 564465411 /nfs/dbraw/zinc/46/54/11/564465411.db2.gz VBIUKYNPENCNPV-OAHLLOKOSA-N 2 1 398.345 2.868 20 0 GFADMP C[N@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515069060 564468144 /nfs/dbraw/zinc/46/81/44/564468144.db2.gz XARZNJWDDMIWHW-UHFFFAOYSA-N 2 1 389.297 2.560 20 0 GFADMP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000515069060 564468148 /nfs/dbraw/zinc/46/81/48/564468148.db2.gz XARZNJWDDMIWHW-UHFFFAOYSA-N 2 1 389.297 2.560 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549226087 564589119 /nfs/dbraw/zinc/58/91/19/564589119.db2.gz FXWACRDRFKVUQT-SFHVURJKSA-N 2 1 394.357 2.970 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1O ZINC000573576739 564644214 /nfs/dbraw/zinc/64/42/14/564644214.db2.gz WIYVARLHYYPAJJ-QAPCUYQASA-N 2 1 399.329 2.882 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350468 564743523 /nfs/dbraw/zinc/74/35/23/564743523.db2.gz DNKZYNNWXQQYTM-IIAWOOMASA-N 2 1 377.476 2.736 20 0 GFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000459726188 564760207 /nfs/dbraw/zinc/76/02/07/564760207.db2.gz BIGYEMIFMKYNEB-AWEZNQCLSA-N 2 1 378.318 2.851 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc(Br)c1 ZINC000528337673 564778565 /nfs/dbraw/zinc/77/85/65/564778565.db2.gz SFCSJLQUGNOXLS-INIZCTEOSA-N 2 1 398.345 2.643 20 0 GFADMP C[N@@H+]1CCN(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1(C)C ZINC000500373765 564951795 /nfs/dbraw/zinc/95/17/95/564951795.db2.gz ZIUJHGHHTNLFLL-UHFFFAOYSA-N 2 1 376.289 2.843 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1(C)C ZINC000500373765 564951800 /nfs/dbraw/zinc/95/18/00/564951800.db2.gz ZIUJHGHHTNLFLL-UHFFFAOYSA-N 2 1 376.289 2.843 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000470180570 565040548 /nfs/dbraw/zinc/04/05/48/565040548.db2.gz PDWRTZGPBCVFKA-WMLDXEAASA-N 2 1 382.346 2.889 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151319 565186419 /nfs/dbraw/zinc/18/64/19/565186419.db2.gz CFRDFDQAITWHTC-OAHLLOKOSA-N 2 1 385.599 2.872 20 0 GFADMP OCC1([NH2+]Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CC[NH2+]CC1 ZINC000662283285 565359124 /nfs/dbraw/zinc/35/91/24/565359124.db2.gz HBSGPBWHHSCHJY-UHFFFAOYSA-N 2 1 376.913 2.920 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)CCO1 ZINC000662324179 565361009 /nfs/dbraw/zinc/36/10/09/565361009.db2.gz YVHWUULOHFUMJR-OAHLLOKOSA-N 2 1 398.345 2.820 20 0 GFADMP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)c1ccccc1 ZINC000662522588 565374787 /nfs/dbraw/zinc/37/47/87/565374787.db2.gz AUQDMSZQRLKQKO-SJORKVTESA-N 2 1 376.298 2.868 20 0 GFADMP [NH3+][C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662575809 565378342 /nfs/dbraw/zinc/37/83/42/565378342.db2.gz QSBHEHQIBQGTNX-USXIJHARSA-N 2 1 392.272 2.541 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594466 565379677 /nfs/dbraw/zinc/37/96/77/565379677.db2.gz TWZYVJKVPOGKQA-SCLBCKFNSA-N 2 1 382.346 2.860 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594467 565379738 /nfs/dbraw/zinc/37/97/38/565379738.db2.gz TWZYVJKVPOGKQA-UGSOOPFHSA-N 2 1 382.346 2.860 20 0 GFADMP C[C@@]([NH3+])(C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004814 565392027 /nfs/dbraw/zinc/39/20/27/565392027.db2.gz RSBQOBZQFUPRDR-KXBFYZLASA-N 2 1 394.357 2.861 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccccc2Br)C1 ZINC000666701985 565553495 /nfs/dbraw/zinc/55/34/95/565553495.db2.gz VYOSKBRTANPPFO-PBHICJAKSA-N 2 1 380.330 2.783 20 0 GFADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041125 565672397 /nfs/dbraw/zinc/67/23/97/565672397.db2.gz QYUSCUMHTGHXIF-DOTOQJQBSA-N 2 1 394.357 2.791 20 0 GFADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041125 565672403 /nfs/dbraw/zinc/67/24/03/565672403.db2.gz QYUSCUMHTGHXIF-DOTOQJQBSA-N 2 1 394.357 2.791 20 0 GFADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041125 565672407 /nfs/dbraw/zinc/67/24/07/565672407.db2.gz QYUSCUMHTGHXIF-DOTOQJQBSA-N 2 1 394.357 2.791 20 0 GFADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040810 565672874 /nfs/dbraw/zinc/67/28/74/565672874.db2.gz MRWYDPBZAMKKNJ-HFTRVMKXSA-N 2 1 385.346 2.566 20 0 GFADMP Brc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000647791450 565676799 /nfs/dbraw/zinc/67/67/99/565676799.db2.gz DGSUKXZNMSSYFB-UMVBOHGHSA-N 2 1 376.302 2.712 20 0 GFADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC[N@@H+]1C ZINC000648931647 565740812 /nfs/dbraw/zinc/74/08/12/565740812.db2.gz JFTGVMREXQFNHG-RDTXWAMCSA-N 2 1 394.357 2.870 20 0 GFADMP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC[N@H+]1C ZINC000648931647 565740821 /nfs/dbraw/zinc/74/08/21/565740821.db2.gz JFTGVMREXQFNHG-RDTXWAMCSA-N 2 1 394.357 2.870 20 0 GFADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000629569331 565859699 /nfs/dbraw/zinc/85/96/99/565859699.db2.gz PTAVQIZAUKXHRU-NSHDSACASA-N 2 1 381.826 2.854 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000629569331 565859703 /nfs/dbraw/zinc/85/97/03/565859703.db2.gz PTAVQIZAUKXHRU-NSHDSACASA-N 2 1 381.826 2.854 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722656 566173864 /nfs/dbraw/zinc/17/38/64/566173864.db2.gz SFKHDTSWLAXMBF-IAGOWNOFSA-N 2 1 389.323 2.576 20 0 GFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826194216 607491063 /nfs/dbraw/zinc/49/10/63/607491063.db2.gz FPCWAITVDGXDDM-SFHVURJKSA-N 2 1 384.528 2.819 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826194216 607491065 /nfs/dbraw/zinc/49/10/65/607491065.db2.gz FPCWAITVDGXDDM-SFHVURJKSA-N 2 1 384.528 2.819 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705031 606915215 /nfs/dbraw/zinc/91/52/15/606915215.db2.gz RQHKVEQICCGNDB-DYESRHJHSA-N 2 1 398.555 2.877 20 0 GFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccnc(-c4nn[nH]n4)c2)CC3)cc1 ZINC000826521768 608105518 /nfs/dbraw/zinc/10/55/18/608105518.db2.gz YLJRXQXRPJLGDW-UHFFFAOYSA-N 2 1 389.507 2.750 20 0 GFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000824893851 608282721 /nfs/dbraw/zinc/28/27/21/608282721.db2.gz VSIHSZMDGBLCIZ-PXNSSMCTSA-N 2 1 392.507 2.888 20 0 GFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000824893851 608282722 /nfs/dbraw/zinc/28/27/22/608282722.db2.gz VSIHSZMDGBLCIZ-PXNSSMCTSA-N 2 1 392.507 2.888 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)CC2)nc(C)[nH+]1 ZINC000826269421 609339330 /nfs/dbraw/zinc/33/93/30/609339330.db2.gz LJULHCUJTNXLOD-CYBMUJFWSA-N 2 1 396.474 2.732 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057816877 654810568 /nfs/dbraw/zinc/81/05/68/654810568.db2.gz IAQPHBOKYNSDDR-KRWDZBQOSA-N 2 1 380.627 2.909 20 0 GFADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000178671432 655307842 /nfs/dbraw/zinc/30/78/42/655307842.db2.gz BCZJCOYREYHBAJ-KBPBESRZSA-N 2 1 388.339 2.903 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000178673963 655307984 /nfs/dbraw/zinc/30/79/84/655307984.db2.gz YKBRKRFNXXEDQL-OAHLLOKOSA-N 2 1 386.323 2.961 20 0 GFADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296297834 655368404 /nfs/dbraw/zinc/36/84/04/655368404.db2.gz FTYGJWWDJPZPRY-UCMJJCQDSA-N 2 1 385.961 2.914 20 0 GFADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000296297834 655368407 /nfs/dbraw/zinc/36/84/07/655368407.db2.gz FTYGJWWDJPZPRY-UCMJJCQDSA-N 2 1 385.961 2.914 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271555 655427737 /nfs/dbraw/zinc/42/77/37/655427737.db2.gz ZDBRKXGNEUZMRN-OAHLLOKOSA-N 2 1 398.345 2.868 20 0 GFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000579857750 655505112 /nfs/dbraw/zinc/50/51/12/655505112.db2.gz HFWMDFBIGHZTCG-AWEZNQCLSA-N 2 1 397.361 2.727 20 0 GFADMP Cc1nc(Br)sc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000841072842 661231289 /nfs/dbraw/zinc/23/12/89/661231289.db2.gz KGTYZBAKZSGELL-UHFFFAOYSA-N 2 1 396.314 2.613 20 0 GFADMP [NH2+]=C(NCCC[NH+]1CCOCC1)N[C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000849085811 661691089 /nfs/dbraw/zinc/69/10/89/661691089.db2.gz WVEQABSRGBKEIN-JCNLHEQBSA-N 2 1 395.345 2.531 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287402 662893168 /nfs/dbraw/zinc/89/31/68/662893168.db2.gz AYPGDCVHJSLMPN-XMTFNYHQSA-N 2 1 383.330 2.666 20 0 GFADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571934 662929825 /nfs/dbraw/zinc/92/98/25/662929825.db2.gz UROCOUPREPKSNT-MLGOLLRUSA-N 2 1 384.293 2.943 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571934 662929827 /nfs/dbraw/zinc/92/98/27/662929827.db2.gz UROCOUPREPKSNT-MLGOLLRUSA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571934 662929829 /nfs/dbraw/zinc/92/98/29/662929829.db2.gz UROCOUPREPKSNT-MLGOLLRUSA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571934 662929831 /nfs/dbraw/zinc/92/98/31/662929831.db2.gz UROCOUPREPKSNT-MLGOLLRUSA-N 2 1 384.293 2.943 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)CC1 ZINC000902467058 663761687 /nfs/dbraw/zinc/76/16/87/663761687.db2.gz KUEYVSAUGUHHSD-CGTJXYLNSA-N 2 1 392.341 2.845 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)[C@H](C)C1 ZINC000903477490 663785249 /nfs/dbraw/zinc/78/52/49/663785249.db2.gz CNKLEILWXUNLOB-PMPSAXMXSA-N 2 1 399.377 2.687 20 0 GFADMP O=C(Nc1ccccc1Br)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000925891653 664676817 /nfs/dbraw/zinc/67/68/17/664676817.db2.gz VLUMECKHSHPYEF-GASCZTMLSA-N 2 1 393.329 2.882 20 0 GFADMP C[C@H]([NH2+]Cc1c(I)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926814812 664696940 /nfs/dbraw/zinc/69/69/40/664696940.db2.gz XOWXVGDMWOXSHE-LBPRGKRZSA-N 2 1 398.292 2.937 20 0 GFADMP Clc1nc2c(c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]C2 ZINC001164628641 719062069 /nfs/dbraw/zinc/06/20/69/719062069.db2.gz SZZWFHIJQHDZCB-QFBILLFUSA-N 2 1 383.927 2.877 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(C(C)(C)C)nc3[nH]ccc32)c2c1CC[NH2+]C2 ZINC001164679722 719634785 /nfs/dbraw/zinc/63/47/85/719634785.db2.gz KIFMWTFJIQTWQN-UHFFFAOYSA-N 2 1 381.528 2.927 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C(C)(C)C)nc3[nH]ccc32)c2c1CC[NH2+]C2 ZINC001164679722 719634798 /nfs/dbraw/zinc/63/47/98/719634798.db2.gz KIFMWTFJIQTWQN-UHFFFAOYSA-N 2 1 381.528 2.927 20 0 GFADMP COc1cc(C)c2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164685183 719654016 /nfs/dbraw/zinc/65/40/16/719654016.db2.gz YLHNAJSKVFVHLG-UHFFFAOYSA-N 2 1 380.496 2.618 20 0 GFADMP COc1cc(C)c2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164685183 719654023 /nfs/dbraw/zinc/65/40/23/719654023.db2.gz YLHNAJSKVFVHLG-UHFFFAOYSA-N 2 1 380.496 2.618 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)[C@H]2C ZINC001164861612 720993790 /nfs/dbraw/zinc/99/37/90/720993790.db2.gz QAXPNWKFGUGHOW-AWEZNQCLSA-N 2 1 388.947 2.999 20 0 GFADMP Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899337 721514506 /nfs/dbraw/zinc/51/45/06/721514506.db2.gz KVHBNNOMFQLBDH-AZUAARDMSA-N 2 1 397.498 2.866 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@H]21 ZINC001164804377 721540644 /nfs/dbraw/zinc/54/06/44/721540644.db2.gz JPDUGBLUHGEAMZ-NJYVYQBISA-N 2 1 377.492 2.837 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000359870598 209197860 /nfs/dbraw/zinc/19/78/60/209197860.db2.gz IYMNXGOFLDVXJM-VYDXJSESSA-N 2 1 387.446 2.958 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987693 551345479 /nfs/dbraw/zinc/34/54/79/551345479.db2.gz AZWVRXNFGVOQME-YVEFUNNKSA-N 2 1 398.320 2.753 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000127987693 551345482 /nfs/dbraw/zinc/34/54/82/551345482.db2.gz AZWVRXNFGVOQME-YVEFUNNKSA-N 2 1 398.320 2.753 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150820474 551402144 /nfs/dbraw/zinc/40/21/44/551402144.db2.gz BGNCHRNWXNPYKX-WBVHZDCISA-N 2 1 383.330 2.607 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150820474 551402145 /nfs/dbraw/zinc/40/21/45/551402145.db2.gz BGNCHRNWXNPYKX-WBVHZDCISA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000178778285 552175028 /nfs/dbraw/zinc/17/50/28/552175028.db2.gz BUBYLMDZIWHQBO-LJQANCHMSA-N 2 1 380.374 2.924 20 0 GFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CSC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236836337 553072122 /nfs/dbraw/zinc/07/21/22/553072122.db2.gz CAVLTGHCKXWIES-CABCVRRESA-N 2 1 375.460 2.867 20 0 GFADMP OC1CC[NH+](CCC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000238149335 553086252 /nfs/dbraw/zinc/08/62/52/553086252.db2.gz ZBHNDWHEEIHYIL-UHFFFAOYSA-N 2 1 381.314 2.661 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@H]21 ZINC000247883452 553126390 /nfs/dbraw/zinc/12/63/90/553126390.db2.gz CHOBRQITMZYPQT-QGPMSJSTSA-N 2 1 383.330 2.605 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)CC[C@H]21 ZINC000247883452 553126393 /nfs/dbraw/zinc/12/63/93/553126393.db2.gz CHOBRQITMZYPQT-QGPMSJSTSA-N 2 1 383.330 2.605 20 0 GFADMP C[C@]([NH3+])(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761054 553158751 /nfs/dbraw/zinc/15/87/51/553158751.db2.gz NMFUMXDIGGIBTB-CRAIPNDOSA-N 2 1 380.330 2.756 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486058 563245455 /nfs/dbraw/zinc/24/54/55/563245455.db2.gz VOHCDPXMWODYHX-BPQIPLTHSA-N 2 1 399.377 2.905 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372047931 563294525 /nfs/dbraw/zinc/29/45/25/563294525.db2.gz VSDDAZISFBYRGD-HDEZJCGLSA-N 2 1 385.350 2.513 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372047931 563294528 /nfs/dbraw/zinc/29/45/28/563294528.db2.gz VSDDAZISFBYRGD-HDEZJCGLSA-N 2 1 385.350 2.513 20 0 GFADMP CC(C)(CC[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000422600725 563344675 /nfs/dbraw/zinc/34/46/75/563344675.db2.gz AQQMMQLACWDWPN-UHFFFAOYSA-N 2 1 397.361 2.840 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434674 563506822 /nfs/dbraw/zinc/50/68/22/563506822.db2.gz SZYCSFSBYJXOFV-JCKWVBRZSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434674 563506828 /nfs/dbraw/zinc/50/68/28/563506828.db2.gz SZYCSFSBYJXOFV-JCKWVBRZSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435974 563506876 /nfs/dbraw/zinc/50/68/76/563506876.db2.gz WIWWIRACOMIPRH-YEWWUXTCSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435974 563506879 /nfs/dbraw/zinc/50/68/79/563506879.db2.gz WIWWIRACOMIPRH-YEWWUXTCSA-N 2 1 379.551 2.739 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC1=Cc2cc(Br)ccc2OC1 ZINC000289554717 563678654 /nfs/dbraw/zinc/67/86/54/563678654.db2.gz YAIDBNKACJGJBI-UHFFFAOYSA-N 2 1 394.357 2.794 20 0 GFADMP CC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000360464814 563692601 /nfs/dbraw/zinc/69/26/01/563692601.db2.gz DGZCPFZVWUDGKF-IBGZPJMESA-N 2 1 394.357 2.919 20 0 GFADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057316 563717423 /nfs/dbraw/zinc/71/74/23/563717423.db2.gz RJANVBRRBFGBPP-RDTXWAMCSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057316 563717424 /nfs/dbraw/zinc/71/74/24/563717424.db2.gz RJANVBRRBFGBPP-RDTXWAMCSA-N 2 1 394.357 2.727 20 0 GFADMP CC(C)[C@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417885137 563891119 /nfs/dbraw/zinc/89/11/19/563891119.db2.gz ISFXBLXNPHYYKG-QGZVFWFLSA-N 2 1 397.361 2.696 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449597166 564191188 /nfs/dbraw/zinc/19/11/88/564191188.db2.gz DFMAITUSRKIQTN-LESCRADOSA-N 2 1 399.373 2.929 20 0 GFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451087 564223708 /nfs/dbraw/zinc/22/37/08/564223708.db2.gz VOKRORJGMMNLFU-SJLPKXTDSA-N 2 1 397.357 2.853 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451087 564223715 /nfs/dbraw/zinc/22/37/15/564223715.db2.gz VOKRORJGMMNLFU-SJLPKXTDSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451087 564223717 /nfs/dbraw/zinc/22/37/17/564223717.db2.gz VOKRORJGMMNLFU-SJLPKXTDSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000472451087 564223722 /nfs/dbraw/zinc/22/37/22/564223722.db2.gz VOKRORJGMMNLFU-SJLPKXTDSA-N 2 1 397.357 2.853 20 0 GFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083970 564445913 /nfs/dbraw/zinc/44/59/13/564445913.db2.gz GQLDJIBAAQKNQS-YPMHNXCESA-N 2 1 392.256 2.538 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232108 564454302 /nfs/dbraw/zinc/45/43/02/564454302.db2.gz JYELKKIIMJZPIL-GOEBONIOSA-N 2 1 391.339 2.824 20 0 GFADMP C[NH+](C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279936 564508913 /nfs/dbraw/zinc/50/89/13/564508913.db2.gz ZCNKKMDUFDJORI-WMZOPIPTSA-N 2 1 384.977 2.679 20 0 GFADMP CCN(CC)CCS(=O)(=O)NC[C@@H](c1cccc(Cl)c1)N1CCCC1 ZINC000572891527 564614978 /nfs/dbraw/zinc/61/49/78/564614978.db2.gz FTIFCHLZTQPQKU-SFHVURJKSA-N 2 1 387.977 2.738 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088668 564676193 /nfs/dbraw/zinc/67/61/93/564676193.db2.gz OYMTUZTZXVZBNZ-YRGRVCCFSA-N 2 1 394.368 2.590 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252868 564695209 /nfs/dbraw/zinc/69/52/09/564695209.db2.gz PUXPTCOIQJBNLU-LSDHHAIUSA-N 2 1 391.339 2.824 20 0 GFADMP C[C@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490983272 564784447 /nfs/dbraw/zinc/78/44/47/564784447.db2.gz BTXZGERAXIQFHY-LPHOPBHVSA-N 2 1 396.373 2.786 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2ccc(Br)cc2o1 ZINC000463118523 564869543 /nfs/dbraw/zinc/86/95/43/564869543.db2.gz YEJWBSMFMPPFMP-UHFFFAOYSA-N 2 1 381.318 2.660 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381810 564908775 /nfs/dbraw/zinc/90/87/75/564908775.db2.gz BGARLSIFCAOAGX-HYVNUMGLSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381810 564908780 /nfs/dbraw/zinc/90/87/80/564908780.db2.gz BGARLSIFCAOAGX-HYVNUMGLSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@H]1C ZINC000531381810 564908784 /nfs/dbraw/zinc/90/87/84/564908784.db2.gz BGARLSIFCAOAGX-HYVNUMGLSA-N 2 1 385.346 2.993 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000584173255 564924487 /nfs/dbraw/zinc/92/44/87/564924487.db2.gz GADJOBBFBSJRMF-HOTGVXAUSA-N 2 1 394.357 2.729 20 0 GFADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@H](C)C1 ZINC000659260847 565208868 /nfs/dbraw/zinc/20/88/68/565208868.db2.gz QSEGRGBDNJEVLF-ZYHUDNBSSA-N 2 1 386.359 2.916 20 0 GFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@H](C)C1 ZINC000659260847 565208872 /nfs/dbraw/zinc/20/88/72/565208872.db2.gz QSEGRGBDNJEVLF-ZYHUDNBSSA-N 2 1 386.359 2.916 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617502693 565242368 /nfs/dbraw/zinc/24/23/68/565242368.db2.gz YXVRASJFYMVFIK-KBXCAEBGSA-N 2 1 396.373 2.867 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2cc(Br)ccc21 ZINC000617502693 565242373 /nfs/dbraw/zinc/24/23/73/565242373.db2.gz YXVRASJFYMVFIK-KBXCAEBGSA-N 2 1 396.373 2.867 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617506231 565243710 /nfs/dbraw/zinc/24/37/10/565243710.db2.gz GKEUIJDCAVUXIS-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2cccc(Br)c12 ZINC000617506231 565243716 /nfs/dbraw/zinc/24/37/16/565243716.db2.gz GKEUIJDCAVUXIS-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CCO2 ZINC000639697577 565255066 /nfs/dbraw/zinc/25/50/66/565255066.db2.gz CNIRWHQBVNUFDP-INIZCTEOSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1cc(Cl)cc(Cl)c1)CCO2 ZINC000639697577 565255071 /nfs/dbraw/zinc/25/50/71/565255071.db2.gz CNIRWHQBVNUFDP-INIZCTEOSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320809 565360604 /nfs/dbraw/zinc/36/06/04/565360604.db2.gz WPYKNWULKNWQRH-HOTGVXAUSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320809 565360606 /nfs/dbraw/zinc/36/06/06/565360606.db2.gz WPYKNWULKNWQRH-HOTGVXAUSA-N 2 1 391.339 2.776 20 0 GFADMP C[N@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000662402424 565366555 /nfs/dbraw/zinc/36/65/55/565366555.db2.gz JQWVEBSZVXSEHT-QGZVFWFLSA-N 2 1 376.298 2.697 20 0 GFADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000662402424 565366560 /nfs/dbraw/zinc/36/65/60/565366560.db2.gz JQWVEBSZVXSEHT-QGZVFWFLSA-N 2 1 376.298 2.697 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587015 565378062 /nfs/dbraw/zinc/37/80/62/565378062.db2.gz UERRJCNODDCIFZ-YOEHRIQHSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004139 565392001 /nfs/dbraw/zinc/39/20/01/565392001.db2.gz PNZQMMDOBGHQID-YOEHRIQHSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004139 565392005 /nfs/dbraw/zinc/39/20/05/565392005.db2.gz PNZQMMDOBGHQID-YOEHRIQHSA-N 2 1 380.330 2.687 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364506 565415406 /nfs/dbraw/zinc/41/54/06/565415406.db2.gz ROVBIJDRVPYSBG-LSDHHAIUSA-N 2 1 389.323 2.576 20 0 GFADMP CN1CC(C[N@@H+](C)Cc2cc(Br)cc(Br)c2N)C1 ZINC000668539559 565652215 /nfs/dbraw/zinc/65/22/15/565652215.db2.gz CWKZIKWQPNGMOC-UHFFFAOYSA-N 2 1 377.124 2.787 20 0 GFADMP CN(Cc1cc(Br)cc(Br)c1N)CC1C[NH+](C)C1 ZINC000668539559 565652218 /nfs/dbraw/zinc/65/22/18/565652218.db2.gz CWKZIKWQPNGMOC-UHFFFAOYSA-N 2 1 377.124 2.787 20 0 GFADMP Cc1cccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000628050928 565771779 /nfs/dbraw/zinc/77/17/79/565771779.db2.gz QKKVRSDXFQDKEY-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP Cc1cccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000628050928 565771782 /nfs/dbraw/zinc/77/17/82/565771782.db2.gz QKKVRSDXFQDKEY-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(I)s1 ZINC000602549533 565854261 /nfs/dbraw/zinc/85/42/61/565854261.db2.gz DJATWFCZUUKXMB-LBPRGKRZSA-N 2 1 394.322 2.679 20 0 GFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631066170 565936801 /nfs/dbraw/zinc/93/68/01/565936801.db2.gz ZMONTLFZITYTCG-UHFFFAOYSA-N 2 1 389.769 2.861 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653124247 565955541 /nfs/dbraw/zinc/95/55/41/565955541.db2.gz VKYMQJOCPJRBKP-MRXNPFEDSA-N 2 1 394.357 2.919 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266829 598871518 /nfs/dbraw/zinc/87/15/18/598871518.db2.gz KMSQACHZGSUNFG-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266829 598871520 /nfs/dbraw/zinc/87/15/20/598871520.db2.gz KMSQACHZGSUNFG-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266829 598871522 /nfs/dbraw/zinc/87/15/22/598871522.db2.gz KMSQACHZGSUNFG-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266829 598871524 /nfs/dbraw/zinc/87/15/24/598871524.db2.gz KMSQACHZGSUNFG-QZTJIDSGSA-N 2 1 384.528 2.832 20 0 GFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194824 607495051 /nfs/dbraw/zinc/49/50/51/607495051.db2.gz XLZPEYXCGFELCI-SFHVURJKSA-N 2 1 384.528 2.963 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194824 607495053 /nfs/dbraw/zinc/49/50/53/607495053.db2.gz XLZPEYXCGFELCI-SFHVURJKSA-N 2 1 384.528 2.963 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)C[C@H](C)O1 ZINC000820759103 606210112 /nfs/dbraw/zinc/21/01/12/606210112.db2.gz HDZJVTDKFDOYND-GASCZTMLSA-N 2 1 398.536 2.827 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3n[nH]c(C)c3Br)CC2)CC1 ZINC000616009124 651888791 /nfs/dbraw/zinc/88/87/91/651888791.db2.gz PLAUTKZHRRCJPW-UHFFFAOYSA-N 2 1 398.349 2.615 20 0 GFADMP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1 ZINC000042328354 654638362 /nfs/dbraw/zinc/63/83/62/654638362.db2.gz MIVYXSZWRZBTDX-UHFFFAOYSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccc(Br)cc1 ZINC000042328354 654638364 /nfs/dbraw/zinc/63/83/64/654638364.db2.gz MIVYXSZWRZBTDX-UHFFFAOYSA-N 2 1 380.330 2.624 20 0 GFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193682 655105581 /nfs/dbraw/zinc/10/55/81/655105581.db2.gz YKHZRBQWCYWDPI-OLZOCXBDSA-N 2 1 376.469 2.684 20 0 GFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193682 655105584 /nfs/dbraw/zinc/10/55/84/655105584.db2.gz YKHZRBQWCYWDPI-OLZOCXBDSA-N 2 1 376.469 2.684 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000119361678 655300746 /nfs/dbraw/zinc/30/07/46/655300746.db2.gz SODCTSMTCMSWEW-WBVHZDCISA-N 2 1 387.615 2.641 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000119371008 655301266 /nfs/dbraw/zinc/30/12/66/655301266.db2.gz MXQWZTGRNODPPO-ZMSDIMECSA-N 2 1 387.615 2.639 20 0 GFADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000178673682 655307973 /nfs/dbraw/zinc/30/79/73/655307973.db2.gz CMOJTLGQWCLYOE-GFCCVEGCSA-N 2 1 375.847 2.756 20 0 GFADMP CCc1ccc(C[NH+]2CCN(C(=S)NC[C@H]3CCC[N@H+]3CC)CC2)s1 ZINC000737453333 655672352 /nfs/dbraw/zinc/67/23/52/655672352.db2.gz UTSFFIKHIPBVQW-MRXNPFEDSA-N 2 1 380.627 2.787 20 0 GFADMP CCc1ccc(C[NH+]2CCN(C(=S)NC[C@H]3CCC[N@@H+]3CC)CC2)s1 ZINC000737453333 655672353 /nfs/dbraw/zinc/67/23/53/655672353.db2.gz UTSFFIKHIPBVQW-MRXNPFEDSA-N 2 1 380.627 2.787 20 0 GFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842678039 661348649 /nfs/dbraw/zinc/34/86/49/661348649.db2.gz RZKCQPHOOQHBOA-UHFFFAOYSA-N 2 1 389.769 2.861 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111226 661368649 /nfs/dbraw/zinc/36/86/49/661368649.db2.gz FDBBBZGYWIJMJA-SCLBCKFNSA-N 2 1 384.307 2.671 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000848192820 661631950 /nfs/dbraw/zinc/63/19/50/661631950.db2.gz JOOWWDCBWAZEIR-QGZVFWFLSA-N 2 1 376.372 2.883 20 0 GFADMP [NH3+]C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1(F)F ZINC000876757095 662865869 /nfs/dbraw/zinc/86/58/69/662865869.db2.gz BJHMWVQDILIJNY-IUODEOHRSA-N 2 1 392.277 2.914 20 0 GFADMP CCOP(=O)(CCC[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)OCC ZINC000876781573 662866247 /nfs/dbraw/zinc/86/62/47/662866247.db2.gz IBKZSSXYDSFCSM-QZTJIDSGSA-N 2 1 375.494 2.600 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287398 662893157 /nfs/dbraw/zinc/89/31/57/662893157.db2.gz AYPGDCVHJSLMPN-OWSLCNJRSA-N 2 1 383.330 2.666 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(I)cnn1C ZINC000894181077 663447120 /nfs/dbraw/zinc/44/71/20/663447120.db2.gz UKHMWQSCHRBQTH-ZDUSSCGKSA-N 2 1 390.313 2.769 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496602 663785717 /nfs/dbraw/zinc/78/57/17/663785717.db2.gz VKILWPMTMAUWFM-IIAWOOMASA-N 2 1 382.346 2.713 20 0 GFADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819908 663807671 /nfs/dbraw/zinc/80/76/71/663807671.db2.gz PWIPBDZOBYOPND-HNNXBMFYSA-N 2 1 389.323 2.578 20 0 GFADMP O[C@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819908 663807672 /nfs/dbraw/zinc/80/76/72/663807672.db2.gz PWIPBDZOBYOPND-HNNXBMFYSA-N 2 1 389.323 2.578 20 0 GFADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355227 664628927 /nfs/dbraw/zinc/62/89/27/664628927.db2.gz HZHAAJYEXVYYPN-DOMZBBRYSA-N 2 1 377.710 2.513 20 0 GFADMP O[C@@H](CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000923431477 664630389 /nfs/dbraw/zinc/63/03/89/664630389.db2.gz QJFKEOSPGOQAPF-FCEWJHQRSA-N 2 1 384.351 2.927 20 0 GFADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1nc(-c2ccc(Br)cc2)n[nH]1 ZINC000925581799 664673460 /nfs/dbraw/zinc/67/34/60/664673460.db2.gz VHVWUNUGZIBYPU-FFMGESDNSA-N 2 1 376.302 2.840 20 0 GFADMP Cn1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806467 664675071 /nfs/dbraw/zinc/67/50/71/664675071.db2.gz QFDUWUDIPQQFDE-PBHICJAKSA-N 2 1 377.286 2.528 20 0 GFADMP C[C@@H]([NH2+]Cc1c(I)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926814811 664696910 /nfs/dbraw/zinc/69/69/10/664696910.db2.gz XOWXVGDMWOXSHE-GFCCVEGCSA-N 2 1 398.292 2.937 20 0 GFADMP CSC[C@@H]1CCC[NH+](CC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](CSC)C2)C1 ZINC000930561069 664773375 /nfs/dbraw/zinc/77/33/75/664773375.db2.gz TZPUVWDAPUUSJY-KZNAEPCWSA-N 2 1 387.659 2.641 20 0 GFADMP Cc1nc(-c2ccncc2)cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679831 719642809 /nfs/dbraw/zinc/64/28/09/719642809.db2.gz OSGFUUKVIMFPLZ-UHFFFAOYSA-N 2 1 377.496 2.519 20 0 GFADMP Cc1nc(-c2ccncc2)cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679831 719642819 /nfs/dbraw/zinc/64/28/19/719642819.db2.gz OSGFUUKVIMFPLZ-UHFFFAOYSA-N 2 1 377.496 2.519 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815217 720197696 /nfs/dbraw/zinc/19/76/96/720197696.db2.gz XDQHSKWZBPZHGI-GGAORHGYSA-N 2 1 384.568 2.862 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164744453 720823307 /nfs/dbraw/zinc/82/33/07/720823307.db2.gz UGJYQFOSECMHNI-ZJOUEHCJSA-N 2 1 378.524 2.541 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164744453 720823312 /nfs/dbraw/zinc/82/33/12/720823312.db2.gz UGJYQFOSECMHNI-ZJOUEHCJSA-N 2 1 378.524 2.541 20 0 GFADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@H+]3C2)c1 ZINC001164871005 721138121 /nfs/dbraw/zinc/13/81/21/721138121.db2.gz CVYPUTMJCOAHRT-YADHBBJMSA-N 2 1 393.535 2.552 20 0 GFADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2cccc(N4CCOCC4)[nH+]2)CC3)c1 ZINC001164956228 722020434 /nfs/dbraw/zinc/02/04/34/722020434.db2.gz ZJBFITHDOLQJCL-UHFFFAOYSA-N 2 1 393.535 2.806 20 0 GFADMP Fc1cccc(C[N@H+]2CC[C@@]23CCCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164997174 722206239 /nfs/dbraw/zinc/20/62/39/722206239.db2.gz WRIAMQYMNGHMKW-HSZRJFAPSA-N 2 1 395.526 2.875 20 0 GFADMP COc1ccc2c[nH+]c(N3CCCn4cnc(COCC[NH+](C)C)c4C3)cc2c1 ZINC001165001617 722255129 /nfs/dbraw/zinc/25/51/29/722255129.db2.gz CZXFGMRRPRTHJI-UHFFFAOYSA-N 2 1 395.507 2.928 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261970167 553163467 /nfs/dbraw/zinc/16/34/67/553163467.db2.gz YWQXSCBPFVYYCR-YOEHRIQHSA-N 2 1 380.330 2.529 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000422639398 563345125 /nfs/dbraw/zinc/34/51/25/563345125.db2.gz SRCBWCHNRAZGPF-JHJVBQTASA-N 2 1 388.375 2.774 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@H]1C[NH3+] ZINC000422639398 563345129 /nfs/dbraw/zinc/34/51/29/563345129.db2.gz SRCBWCHNRAZGPF-JHJVBQTASA-N 2 1 388.375 2.774 20 0 GFADMP C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422863810 563350041 /nfs/dbraw/zinc/35/00/41/563350041.db2.gz SGURKSFAPKVQSV-GFCCVEGCSA-N 2 1 377.286 2.727 20 0 GFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097961 563355660 /nfs/dbraw/zinc/35/56/60/563355660.db2.gz BTDDRUCGHMPYKV-STQMWFEESA-N 2 1 380.341 2.521 20 0 GFADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278699 563359352 /nfs/dbraw/zinc/35/93/52/563359352.db2.gz QFKUFNXFMOSYAF-IMSIIYSGSA-N 2 1 380.341 2.809 20 0 GFADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430546557 563545389 /nfs/dbraw/zinc/54/53/89/563545389.db2.gz CZZJBLPFKDESPF-ZDUSSCGKSA-N 2 1 384.318 2.606 20 0 GFADMP CC[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413177483 563684363 /nfs/dbraw/zinc/68/43/63/563684363.db2.gz ASQZRJSZVNJLKE-UHFFFAOYSA-N 2 1 397.361 2.664 20 0 GFADMP CC[N@@H+](C)CCNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413177483 563684365 /nfs/dbraw/zinc/68/43/65/563684365.db2.gz ASQZRJSZVNJLKE-UHFFFAOYSA-N 2 1 397.361 2.664 20 0 GFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360813116 563695482 /nfs/dbraw/zinc/69/54/82/563695482.db2.gz WRVSKXJADZDGNN-QGZVFWFLSA-N 2 1 385.599 2.611 20 0 GFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000360813116 563695487 /nfs/dbraw/zinc/69/54/87/563695487.db2.gz WRVSKXJADZDGNN-QGZVFWFLSA-N 2 1 385.599 2.611 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2cc(Br)ccc2F)C2CC2)C1 ZINC000414726792 563750754 /nfs/dbraw/zinc/75/07/54/563750754.db2.gz ADQLYLMMBYVSSR-ZDUSSCGKSA-N 2 1 398.320 2.750 20 0 GFADMP C[N@H+](Cc1cc(Br)ccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414748956 563751833 /nfs/dbraw/zinc/75/18/33/563751833.db2.gz VMAOCXCWLVWEFK-GFCCVEGCSA-N 2 1 388.737 2.732 20 0 GFADMP C[N@H+](Cc1ccc(Br)cc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739949 563751907 /nfs/dbraw/zinc/75/19/07/563751907.db2.gz CLYSKVMGXSVKMT-LBPRGKRZSA-N 2 1 388.737 2.732 20 0 GFADMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939670 563754715 /nfs/dbraw/zinc/75/47/15/563754715.db2.gz GSAKEIOCVSVYKK-SUMWQHHRSA-N 2 1 384.318 2.524 20 0 GFADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(I)c1OC ZINC000414948967 563755567 /nfs/dbraw/zinc/75/55/67/563755567.db2.gz MYMRJWVMHZGHBV-JQWIXIFHSA-N 2 1 390.265 2.539 20 0 GFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457069 563808939 /nfs/dbraw/zinc/80/89/39/563808939.db2.gz GTXSSEHRAIJBRC-INMHGKMJSA-N 2 1 385.961 2.916 20 0 GFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457069 563808940 /nfs/dbraw/zinc/80/89/40/563808940.db2.gz GTXSSEHRAIJBRC-INMHGKMJSA-N 2 1 385.961 2.916 20 0 GFADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767403 563854693 /nfs/dbraw/zinc/85/46/93/563854693.db2.gz LMARCDUPVZVADO-DNVCBOLYSA-N 2 1 386.367 2.986 20 0 GFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767403 563854695 /nfs/dbraw/zinc/85/46/95/563854695.db2.gz LMARCDUPVZVADO-DNVCBOLYSA-N 2 1 386.367 2.986 20 0 GFADMP O=C(NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)N1CCC[NH2+]CC1 ZINC000417985020 563893413 /nfs/dbraw/zinc/89/34/13/563893413.db2.gz DVCYDYZHLJKJIJ-UHFFFAOYSA-N 2 1 385.339 2.963 20 0 GFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451088 564223828 /nfs/dbraw/zinc/22/38/28/564223828.db2.gz VOKRORJGMMNLFU-WMZOPIPTSA-N 2 1 397.357 2.853 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451088 564223830 /nfs/dbraw/zinc/22/38/30/564223830.db2.gz VOKRORJGMMNLFU-WMZOPIPTSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451088 564223833 /nfs/dbraw/zinc/22/38/33/564223833.db2.gz VOKRORJGMMNLFU-WMZOPIPTSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451088 564223837 /nfs/dbraw/zinc/22/38/37/564223837.db2.gz VOKRORJGMMNLFU-WMZOPIPTSA-N 2 1 397.357 2.853 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1Cl ZINC000508076685 564252767 /nfs/dbraw/zinc/25/27/67/564252767.db2.gz BVWHIZJFZMWEIX-INIZCTEOSA-N 2 1 387.977 2.685 20 0 GFADMP CC(C)C[C@H]([NH2+]Cc1cscc1Br)C(=O)NCC[NH+](C)C ZINC000512008070 564388437 /nfs/dbraw/zinc/38/84/37/564388437.db2.gz PFMDEZKRLXISSO-AWEZNQCLSA-N 2 1 376.364 2.693 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000453375062 564455754 /nfs/dbraw/zinc/45/57/54/564455754.db2.gz OVLRKAWOPWJRJP-KEYYUXOJSA-N 2 1 385.346 2.539 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cnc(-c3ccc(Cl)cc3)s2)CC1 ZINC000515317058 564474685 /nfs/dbraw/zinc/47/46/85/564474685.db2.gz JFEIOZJCPZEXSO-UHFFFAOYSA-N 2 1 378.929 2.717 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)s2)CC1 ZINC000516623883 564507785 /nfs/dbraw/zinc/50/77/85/564507785.db2.gz XZNXCHNCRYIEGK-UHFFFAOYSA-N 2 1 381.299 2.910 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000525779434 564708331 /nfs/dbraw/zinc/70/83/31/564708331.db2.gz JYEJUCACBJRMOQ-SFHVURJKSA-N 2 1 396.373 2.928 20 0 GFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484240 564804656 /nfs/dbraw/zinc/80/46/56/564804656.db2.gz YSNNJXJJVIMYJA-BBRMVZONSA-N 2 1 389.309 2.649 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493977710 564815250 /nfs/dbraw/zinc/81/52/50/564815250.db2.gz PBPUFQFTVRRIRD-KLHKWILBSA-N 2 1 394.357 2.872 20 0 GFADMP Cc1c[nH+]cn1CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000529508857 564838508 /nfs/dbraw/zinc/83/85/08/564838508.db2.gz VHWBGKNMBIKJPH-UHFFFAOYSA-N 2 1 394.317 2.591 20 0 GFADMP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1(C)C ZINC000583261813 564883828 /nfs/dbraw/zinc/88/38/28/564883828.db2.gz ITJOBBQTXCRBGN-YJBOKZPZSA-N 2 1 398.345 2.982 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000499511993 564929636 /nfs/dbraw/zinc/92/96/36/564929636.db2.gz CWCKOHHQQCVJFL-ZDUSSCGKSA-N 2 1 388.375 2.999 20 0 GFADMP CC[NH+](CC)CCN(C(=O)Cn1c[nH+]cc1C)c1ccc(Br)cn1 ZINC000637210114 565144912 /nfs/dbraw/zinc/14/49/12/565144912.db2.gz CXGZIJRCXGUAPI-UHFFFAOYSA-N 2 1 394.317 2.724 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617504046 565242110 /nfs/dbraw/zinc/24/21/10/565242110.db2.gz GFKUSXXLKGDNPF-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c[nH]c2ccc(Br)cc12 ZINC000617504046 565242116 /nfs/dbraw/zinc/24/21/16/565242116.db2.gz GFKUSXXLKGDNPF-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP Cc1csc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000617507259 565244388 /nfs/dbraw/zinc/24/43/88/565244388.db2.gz OQJQSUDGSJEPPD-LBPRGKRZSA-N 2 1 376.364 2.821 20 0 GFADMP Cc1csc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000617507259 565244393 /nfs/dbraw/zinc/24/43/93/565244393.db2.gz OQJQSUDGSJEPPD-LBPRGKRZSA-N 2 1 376.364 2.821 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000662396954 565364132 /nfs/dbraw/zinc/36/41/32/565364132.db2.gz QLWDVXRAMFUMQT-LLVKDONJSA-N 2 1 384.343 2.814 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468830 565370378 /nfs/dbraw/zinc/37/03/78/565370378.db2.gz UIMQKCFOTSTQME-WMLDXEAASA-N 2 1 380.330 2.926 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662473425 565371027 /nfs/dbraw/zinc/37/10/27/565371027.db2.gz IXVNNPBKIMVDRM-QGZVFWFLSA-N 2 1 380.330 2.783 20 0 GFADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662484369 565371428 /nfs/dbraw/zinc/37/14/28/565371428.db2.gz ADBMWNDBRPLSKC-LBPRGKRZSA-N 2 1 398.370 2.918 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662484369 565371430 /nfs/dbraw/zinc/37/14/30/565371430.db2.gz ADBMWNDBRPLSKC-LBPRGKRZSA-N 2 1 398.370 2.918 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662522116 565375170 /nfs/dbraw/zinc/37/51/70/565375170.db2.gz KDGMFVJTWMVLOT-NWDGAFQWSA-N 2 1 398.370 2.966 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000662796843 565384200 /nfs/dbraw/zinc/38/42/00/565384200.db2.gz CSGGDSZQVPZPAP-OFQRWUPVSA-N 2 1 375.822 2.743 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000662796843 565384206 /nfs/dbraw/zinc/38/42/06/565384206.db2.gz CSGGDSZQVPZPAP-OFQRWUPVSA-N 2 1 375.822 2.743 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000662796845 565385954 /nfs/dbraw/zinc/38/59/54/565385954.db2.gz CSGGDSZQVPZPAP-SQWLQELKSA-N 2 1 375.822 2.743 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000662796845 565385959 /nfs/dbraw/zinc/38/59/59/565385959.db2.gz CSGGDSZQVPZPAP-SQWLQELKSA-N 2 1 375.822 2.743 20 0 GFADMP C[C@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292219 565495624 /nfs/dbraw/zinc/49/56/24/565495624.db2.gz WEKBIIWUJCGTQX-FVMDXXJSSA-N 2 1 395.326 2.976 20 0 GFADMP Ic1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595885281 565496399 /nfs/dbraw/zinc/49/63/99/565496399.db2.gz LRTHWBGIYBYKDA-XJKSGUPXSA-N 2 1 398.288 2.949 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646103414 565586630 /nfs/dbraw/zinc/58/66/30/565586630.db2.gz RKHLVNXADMPKRB-AWEZNQCLSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1ccc(Cl)c(Cl)c1)CCO2 ZINC000646103414 565586633 /nfs/dbraw/zinc/58/66/33/565586633.db2.gz RKHLVNXADMPKRB-AWEZNQCLSA-N 2 1 389.323 2.530 20 0 GFADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647938479 565684312 /nfs/dbraw/zinc/68/43/12/565684312.db2.gz OGGHCUMKDAMDCS-UNEWFSDZSA-N 2 1 382.346 2.855 20 0 GFADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647938479 565684316 /nfs/dbraw/zinc/68/43/16/565684316.db2.gz OGGHCUMKDAMDCS-UNEWFSDZSA-N 2 1 382.346 2.855 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649411766 565760398 /nfs/dbraw/zinc/76/03/98/565760398.db2.gz AAQXQAZMBCYHAM-GJZGRUSLSA-N 2 1 395.345 2.884 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705962 565833190 /nfs/dbraw/zinc/83/31/90/565833190.db2.gz BCUZVLDMNJRXBN-JGGQBBKZSA-N 2 1 397.313 2.896 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361697 565924362 /nfs/dbraw/zinc/92/43/62/565924362.db2.gz MQBKAFNWIBRWGK-NUEKZKHPSA-N 2 1 385.961 2.721 20 0 GFADMP C[NH+](C)CCn1cc(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)cn1 ZINC000632702308 566060251 /nfs/dbraw/zinc/06/02/51/566060251.db2.gz LZTKFGFEEKNLRM-UHFFFAOYSA-N 2 1 394.317 2.521 20 0 GFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266831 598871545 /nfs/dbraw/zinc/87/15/45/598871545.db2.gz KMSQACHZGSUNFG-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266831 598871547 /nfs/dbraw/zinc/87/15/47/598871547.db2.gz KMSQACHZGSUNFG-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266831 598871548 /nfs/dbraw/zinc/87/15/48/598871548.db2.gz KMSQACHZGSUNFG-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266831 598871550 /nfs/dbraw/zinc/87/15/50/598871550.db2.gz KMSQACHZGSUNFG-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737272014 599317424 /nfs/dbraw/zinc/31/74/24/599317424.db2.gz OZZLGZKUSOQBAQ-KBXCAEBGSA-N 2 1 378.484 2.593 20 0 GFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821808325 599428553 /nfs/dbraw/zinc/42/85/53/599428553.db2.gz DLPTVRHUMXFKIA-IBGZPJMESA-N 2 1 392.507 2.530 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818997774 660242680 /nfs/dbraw/zinc/24/26/80/660242680.db2.gz KUQKXRDINROASI-IAGOWNOFSA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818997774 660242681 /nfs/dbraw/zinc/24/26/81/660242681.db2.gz KUQKXRDINROASI-IAGOWNOFSA-N 2 1 388.339 2.559 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062308 660244880 /nfs/dbraw/zinc/24/48/80/660244880.db2.gz PPWYETNSQFVASD-ZWKOTPCHSA-N 2 1 383.330 2.716 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000820068527 660280132 /nfs/dbraw/zinc/28/01/32/660280132.db2.gz MSWJLJINGMUZKA-HNNXBMFYSA-N 2 1 399.377 2.863 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1cccc(Br)c1 ZINC000820068527 660280139 /nfs/dbraw/zinc/28/01/39/660280139.db2.gz MSWJLJINGMUZKA-HNNXBMFYSA-N 2 1 399.377 2.863 20 0 GFADMP Cc1cc(Br)nc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000823719573 660378726 /nfs/dbraw/zinc/37/87/26/660378726.db2.gz WXFMRLAVMILKSO-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1cc(Br)nc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000823719573 660378729 /nfs/dbraw/zinc/37/87/29/660378729.db2.gz WXFMRLAVMILKSO-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1F ZINC000060348667 654828039 /nfs/dbraw/zinc/82/80/39/654828039.db2.gz ZRONXMWSHVEKHT-HNNXBMFYSA-N 2 1 391.940 2.516 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838673320 661053423 /nfs/dbraw/zinc/05/34/23/661053423.db2.gz XETDSAIAZBARJO-GOEBONIOSA-N 2 1 379.376 2.628 20 0 GFADMP O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000274308591 655184315 /nfs/dbraw/zinc/18/43/15/655184315.db2.gz AHBIABRHFMXGOQ-UHFFFAOYSA-N 2 1 395.345 2.663 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](O)c2cccc(Br)c2)CC1 ZINC000839639423 661097644 /nfs/dbraw/zinc/09/76/44/661097644.db2.gz JCDCXQXQIFHFAV-LJQANCHMSA-N 2 1 398.389 2.830 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847418784 661591680 /nfs/dbraw/zinc/59/16/80/661591680.db2.gz KHZDMIGBFRLULO-NSHDSACASA-N 2 1 379.357 2.938 20 0 GFADMP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028093 662869816 /nfs/dbraw/zinc/86/98/16/662869816.db2.gz XJOLPGZNQOZGDO-LBPRGKRZSA-N 2 1 387.753 2.756 20 0 GFADMP [NH3+][C@H](CC1CC1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232272 663067386 /nfs/dbraw/zinc/06/73/86/663067386.db2.gz MQYLDLJUJJNIBL-QGZVFWFLSA-N 2 1 380.330 2.657 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328500 663069160 /nfs/dbraw/zinc/06/91/60/663069160.db2.gz RHXMCUNAPSMKQE-OLMNPRSZSA-N 2 1 392.341 2.924 20 0 GFADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819682 663807754 /nfs/dbraw/zinc/80/77/54/663807754.db2.gz LTBIGYGCUWMILV-AWEZNQCLSA-N 2 1 389.323 2.578 20 0 GFADMP O[C@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819682 663807755 /nfs/dbraw/zinc/80/77/55/663807755.db2.gz LTBIGYGCUWMILV-AWEZNQCLSA-N 2 1 389.323 2.578 20 0 GFADMP CCN1CC[NH+](CCCC[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921529196 664552383 /nfs/dbraw/zinc/55/23/83/664552383.db2.gz YPNNWPDEJRVHBE-UHFFFAOYSA-N 2 1 375.380 2.721 20 0 GFADMP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(C(=O)OC)cc2Br)CC1 ZINC000923290057 664627600 /nfs/dbraw/zinc/62/76/00/664627600.db2.gz LTKYNWWTXQYUKZ-UHFFFAOYSA-N 2 1 385.302 2.676 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358611 664628931 /nfs/dbraw/zinc/62/89/31/664628931.db2.gz IVYNGEDLOKTYNW-CORIIIEPSA-N 2 1 389.721 2.526 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000923358611 664628932 /nfs/dbraw/zinc/62/89/32/664628932.db2.gz IVYNGEDLOKTYNW-CORIIIEPSA-N 2 1 389.721 2.526 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500492 664631364 /nfs/dbraw/zinc/63/13/64/664631364.db2.gz RLOPHSRDTSOWAY-YCPHGPKFSA-N 2 1 382.346 2.713 20 0 GFADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)C[C@]2(C)C1 ZINC000933745686 664876784 /nfs/dbraw/zinc/87/67/84/664876784.db2.gz SRBBRPFTWVTKFA-PXAZEXFGSA-N 2 1 384.293 2.800 20 0 GFADMP C[N@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)C[C@]2(C)C1 ZINC000933745686 664876786 /nfs/dbraw/zinc/87/67/86/664876786.db2.gz SRBBRPFTWVTKFA-PXAZEXFGSA-N 2 1 384.293 2.800 20 0 GFADMP C[NH+]1C[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@]2(C)C1 ZINC000933745686 664876787 /nfs/dbraw/zinc/87/67/87/664876787.db2.gz SRBBRPFTWVTKFA-PXAZEXFGSA-N 2 1 384.293 2.800 20 0 GFADMP C[NH+]1C[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@]2(C)C1 ZINC000933745686 664876788 /nfs/dbraw/zinc/87/67/88/664876788.db2.gz SRBBRPFTWVTKFA-PXAZEXFGSA-N 2 1 384.293 2.800 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nccnc2Oc2ccccc2)c2c1CC[NH2+]C2 ZINC001164680222 719646828 /nfs/dbraw/zinc/64/68/28/719646828.db2.gz SKWHZTVTKLUFTR-UHFFFAOYSA-N 2 1 378.480 2.941 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nccnc2Oc2ccccc2)c2c1CC[NH2+]C2 ZINC001164680222 719646835 /nfs/dbraw/zinc/64/68/35/719646835.db2.gz SKWHZTVTKLUFTR-UHFFFAOYSA-N 2 1 378.480 2.941 20 0 GFADMP c1csc(C[N@H+]2CCOC3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2)c1 ZINC001164696093 719887622 /nfs/dbraw/zinc/88/76/22/719887622.db2.gz WUACUGJBCVTWBD-UHFFFAOYSA-N 2 1 384.549 2.660 20 0 GFADMP COCC[N@@H+]1CCO[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@@H]2C1 ZINC001164853572 720863476 /nfs/dbraw/zinc/86/34/76/720863476.db2.gz HNLVWOTVFXUBLC-UTKZUKDTSA-N 2 1 385.508 2.725 20 0 GFADMP COCC[N@H+]1CCO[C@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@@H]2C1 ZINC001164853572 720863480 /nfs/dbraw/zinc/86/34/80/720863480.db2.gz HNLVWOTVFXUBLC-UTKZUKDTSA-N 2 1 385.508 2.725 20 0 GFADMP c1ccc(C[N@H+]2CCc3nc(N4CC[NH+](C[C@H]5CCCO5)CC4)ccc3C2)cc1 ZINC001165040104 721906254 /nfs/dbraw/zinc/90/62/54/721906254.db2.gz YJYCMPVXRNOYMA-JOCHJYFZSA-N 2 1 392.547 2.941 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057867 553118035 /nfs/dbraw/zinc/11/80/35/553118035.db2.gz OTNXAPQRSAUNLS-ZVZYQTTQSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057867 553118036 /nfs/dbraw/zinc/11/80/36/553118036.db2.gz OTNXAPQRSAUNLS-ZVZYQTTQSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057867 553118038 /nfs/dbraw/zinc/11/80/38/553118038.db2.gz OTNXAPQRSAUNLS-ZVZYQTTQSA-N 2 1 385.346 2.851 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000247071269 553118380 /nfs/dbraw/zinc/11/83/80/553118380.db2.gz VTAGPQRUJDCCJL-HOTGVXAUSA-N 2 1 385.599 2.538 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000262301070 553168832 /nfs/dbraw/zinc/16/88/32/553168832.db2.gz OPMCPKWVEOZRCH-WFASDCNBSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000262301070 553168835 /nfs/dbraw/zinc/16/88/35/553168835.db2.gz OPMCPKWVEOZRCH-WFASDCNBSA-N 2 1 386.359 2.591 20 0 GFADMP [NH3+]CCc1nc(C(=O)NC[C@H](c2cccc(Cl)c2)[NH+]2CCCC2)cs1 ZINC000262323416 553168992 /nfs/dbraw/zinc/16/89/92/553168992.db2.gz CWHXSZOUYVTLGW-MRXNPFEDSA-N 2 1 378.929 2.865 20 0 GFADMP Cc1cc(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)ccc1Br ZINC000423052117 563353913 /nfs/dbraw/zinc/35/39/13/563353913.db2.gz PTPXFGALYNNLNE-CKQIIDDLSA-N 2 1 378.314 2.735 20 0 GFADMP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000423278698 563359256 /nfs/dbraw/zinc/35/92/56/563359256.db2.gz QFKUFNXFMOSYAF-BHDSKKPTSA-N 2 1 380.341 2.809 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1ccc(Br)cc1 ZINC000428534993 563494650 /nfs/dbraw/zinc/49/46/50/563494650.db2.gz JDGGSCXGRYJVSO-OAHLLOKOSA-N 2 1 378.314 2.851 20 0 GFADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537626 563518340 /nfs/dbraw/zinc/51/83/40/563518340.db2.gz IAUPZEQPAZMJCG-CVEARBPZSA-N 2 1 389.309 2.744 20 0 GFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537626 563518342 /nfs/dbraw/zinc/51/83/42/563518342.db2.gz IAUPZEQPAZMJCG-CVEARBPZSA-N 2 1 389.309 2.744 20 0 GFADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637941 563546804 /nfs/dbraw/zinc/54/68/04/563546804.db2.gz DSVKLVSPPXVDHO-ZBFHGGJFSA-N 2 1 380.330 2.654 20 0 GFADMP Brc1cccc(Cc2noc(C[NH+]3CCC4(CC[NH2+]C4)CC3)n2)c1 ZINC000431019322 563551699 /nfs/dbraw/zinc/55/16/99/563551699.db2.gz NXYCFNJQMZNSNU-UHFFFAOYSA-N 2 1 391.313 2.998 20 0 GFADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444053 563725266 /nfs/dbraw/zinc/72/52/66/563725266.db2.gz BMFLSDIYQWAJFP-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444053 563725269 /nfs/dbraw/zinc/72/52/69/563725269.db2.gz BMFLSDIYQWAJFP-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444053 563725272 /nfs/dbraw/zinc/72/52/72/563725272.db2.gz BMFLSDIYQWAJFP-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444053 563725275 /nfs/dbraw/zinc/72/52/75/563725275.db2.gz BMFLSDIYQWAJFP-CZUORRHYSA-N 2 1 389.309 2.602 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2cccc(Br)c2)CC2CC2)C1 ZINC000414751746 563752172 /nfs/dbraw/zinc/75/21/72/563752172.db2.gz JEFMHRNVAYMCHV-QGZVFWFLSA-N 2 1 394.357 2.858 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244957 563837931 /nfs/dbraw/zinc/83/79/31/563837931.db2.gz URGDHXJIPHCFJR-AXUOBQJMSA-N 2 1 397.357 2.962 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CC(c3ccc(Br)cc3F)C2)CC1 ZINC000449124140 563907137 /nfs/dbraw/zinc/90/71/37/563907137.db2.gz FQTCWULLVAQNMG-UHFFFAOYSA-N 2 1 398.320 2.588 20 0 GFADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000512009007 564389330 /nfs/dbraw/zinc/38/93/30/564389330.db2.gz SBDLTRRVLJIIBI-CMPLNLGQSA-N 2 1 381.826 2.588 20 0 GFADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000512009008 564389765 /nfs/dbraw/zinc/38/97/65/564389765.db2.gz SBDLTRRVLJIIBI-JQWIXIFHSA-N 2 1 381.826 2.588 20 0 GFADMP O=C(CC[NH2+]CCCC[N@@H+]1CCC[C@H]1CO)Nc1cccc(Br)c1 ZINC000514673899 564453173 /nfs/dbraw/zinc/45/31/73/564453173.db2.gz UIDOGTGJCKUQGF-KRWDZBQOSA-N 2 1 398.345 2.604 20 0 GFADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000519552186 564581098 /nfs/dbraw/zinc/58/10/98/564581098.db2.gz BBWPABGQOAWSBR-UHFFFAOYSA-N 2 1 399.377 2.511 20 0 GFADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000519552186 564581102 /nfs/dbraw/zinc/58/11/02/564581102.db2.gz BBWPABGQOAWSBR-UHFFFAOYSA-N 2 1 399.377 2.511 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccc(Br)cc3)C2)CC1 ZINC000524751292 564686031 /nfs/dbraw/zinc/68/60/31/564686031.db2.gz NHPOKNYGHWILHK-GOSISDBHSA-N 2 1 396.373 2.928 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1O ZINC000556964136 564849044 /nfs/dbraw/zinc/84/90/44/564849044.db2.gz GEINHKPIZMBWKP-KBXCAEBGSA-N 2 1 399.329 2.882 20 0 GFADMP Cc1cc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)ccc1Br ZINC000561788536 565009565 /nfs/dbraw/zinc/00/95/65/565009565.db2.gz ZNASFYTYCHBKFU-UHFFFAOYSA-N 2 1 399.377 2.511 20 0 GFADMP Cc1cc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1Br ZINC000561788536 565009567 /nfs/dbraw/zinc/00/95/67/565009567.db2.gz ZNASFYTYCHBKFU-UHFFFAOYSA-N 2 1 399.377 2.511 20 0 GFADMP COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470009885 565035607 /nfs/dbraw/zinc/03/56/07/565035607.db2.gz VDTVSEVRWKFJPI-ZDUSSCGKSA-N 2 1 386.323 2.646 20 0 GFADMP COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000470009885 565035609 /nfs/dbraw/zinc/03/56/09/565035609.db2.gz VDTVSEVRWKFJPI-ZDUSSCGKSA-N 2 1 386.323 2.646 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000537630122 565060240 /nfs/dbraw/zinc/06/02/40/565060240.db2.gz OLCVBLNMXHXPJJ-UHFFFAOYSA-N 2 1 385.302 2.720 20 0 GFADMP [NH3+][C@@H](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000638878261 565215162 /nfs/dbraw/zinc/21/51/62/565215162.db2.gz ALVPLORGXNQOOG-YOEHRIQHSA-N 2 1 376.298 2.525 20 0 GFADMP C[NH+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ncc(Br)cc23)CC1 ZINC000659843517 565226471 /nfs/dbraw/zinc/22/64/71/565226471.db2.gz ARNZYSWRHQIMIU-UHFFFAOYSA-N 2 1 379.302 2.782 20 0 GFADMP CN(CCC[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccco1 ZINC000639165882 565230407 /nfs/dbraw/zinc/23/04/07/565230407.db2.gz AQZHQDUUUKQTQX-UHFFFAOYSA-N 2 1 385.917 2.534 20 0 GFADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cc1ccco1 ZINC000639165882 565230410 /nfs/dbraw/zinc/23/04/10/565230410.db2.gz AQZHQDUUUKQTQX-UHFFFAOYSA-N 2 1 385.917 2.534 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000617507111 565244753 /nfs/dbraw/zinc/24/47/53/565244753.db2.gz IOZJKNZCTVPNHR-HNNXBMFYSA-N 2 1 396.373 2.869 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(c2ccccc2Br)CC1 ZINC000617507111 565244756 /nfs/dbraw/zinc/24/47/56/565244756.db2.gz IOZJKNZCTVPNHR-HNNXBMFYSA-N 2 1 396.373 2.869 20 0 GFADMP C[NH+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2Br)c1 ZINC000662524902 565374715 /nfs/dbraw/zinc/37/47/15/565374715.db2.gz CEEHRXXZVHCYBF-QGZVFWFLSA-N 2 1 376.298 2.827 20 0 GFADMP C[NH2+][C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707515 565383593 /nfs/dbraw/zinc/38/35/93/565383593.db2.gz GGKHNVFUPPQPGY-DYVFJYSZSA-N 2 1 386.323 2.623 20 0 GFADMP CCOCCOc1ccc(Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086337 565494871 /nfs/dbraw/zinc/49/48/71/565494871.db2.gz LAXDPRBEEIWHMD-UHFFFAOYSA-N 2 1 382.302 2.930 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000666225651 565527616 /nfs/dbraw/zinc/52/76/16/565527616.db2.gz GZVLUODPYSEGKS-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)c(Br)c1 ZINC000666225651 565527623 /nfs/dbraw/zinc/52/76/23/565527623.db2.gz GZVLUODPYSEGKS-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1ccc(Br)cc1)CCO2 ZINC000646103288 565586667 /nfs/dbraw/zinc/58/66/67/565586667.db2.gz AOJJGQNRUXRGBI-UHFFFAOYSA-N 2 1 396.329 2.574 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CCO2 ZINC000646103479 565586819 /nfs/dbraw/zinc/58/68/19/565586819.db2.gz VPWRMNHZEYASIX-CQSZACIVSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1c(Cl)cccc1Cl)CCO2 ZINC000646103479 565586823 /nfs/dbraw/zinc/58/68/23/565586823.db2.gz VPWRMNHZEYASIX-CQSZACIVSA-N 2 1 389.323 2.530 20 0 GFADMP C[N@@H+](CCCn1ccnc1)[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC000625273481 565615064 /nfs/dbraw/zinc/61/50/64/565615064.db2.gz NXDOBVUFPQMUNA-MRXNPFEDSA-N 2 1 377.286 2.921 20 0 GFADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000647803203 565677774 /nfs/dbraw/zinc/67/77/74/565677774.db2.gz MGKDGSGXZRADML-INIZCTEOSA-N 2 1 395.322 2.916 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705964 565832842 /nfs/dbraw/zinc/83/28/42/565832842.db2.gz BCUZVLDMNJRXBN-XPKDYRNWSA-N 2 1 397.313 2.896 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708168 565833119 /nfs/dbraw/zinc/83/31/19/565833119.db2.gz UQUJKPWKQURIMA-JGGQBBKZSA-N 2 1 399.329 2.882 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361694 565924790 /nfs/dbraw/zinc/92/47/90/565924790.db2.gz MQBKAFNWIBRWGK-BMFZPTHFSA-N 2 1 385.961 2.721 20 0 GFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803916 566100580 /nfs/dbraw/zinc/10/05/80/566100580.db2.gz DWFXZQNDJVLDSP-CVEARBPZSA-N 2 1 388.293 2.789 20 0 GFADMP c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738412977 598717495 /nfs/dbraw/zinc/71/74/95/598717495.db2.gz OWAPDXQRIYDXCD-SFHVURJKSA-N 2 1 384.528 2.834 20 0 GFADMP c1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000738412977 598717496 /nfs/dbraw/zinc/71/74/96/598717496.db2.gz OWAPDXQRIYDXCD-SFHVURJKSA-N 2 1 384.528 2.834 20 0 GFADMP c1cc(-c2nn[nH]n2)sc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000823786664 606411916 /nfs/dbraw/zinc/41/19/16/606411916.db2.gz APFHRMGLIGVAQC-UHFFFAOYSA-N 2 1 397.552 2.620 20 0 GFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nc(Br)cs2)CC1 ZINC000834508238 660822687 /nfs/dbraw/zinc/82/26/87/660822687.db2.gz JLDSBFBIABTKMP-ZDUSSCGKSA-N 2 1 375.380 2.974 20 0 GFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000124962490 654784798 /nfs/dbraw/zinc/78/47/98/654784798.db2.gz NMAUCCIFMBTFIZ-MRXNPFEDSA-N 2 1 395.345 2.979 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1F ZINC000060348666 654827953 /nfs/dbraw/zinc/82/79/53/654827953.db2.gz ZRONXMWSHVEKHT-OAHLLOKOSA-N 2 1 391.940 2.516 20 0 GFADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000132451423 654938302 /nfs/dbraw/zinc/93/83/02/654938302.db2.gz DTBVZLIZCCGMLW-SFHVURJKSA-N 2 1 383.330 2.527 20 0 GFADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1O ZINC000094082888 655027133 /nfs/dbraw/zinc/02/71/33/655027133.db2.gz DSCFCABYXDJDRG-HNNXBMFYSA-N 2 1 398.345 2.643 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1O ZINC000094082888 655027134 /nfs/dbraw/zinc/02/71/34/655027134.db2.gz DSCFCABYXDJDRG-HNNXBMFYSA-N 2 1 398.345 2.643 20 0 GFADMP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762460871 656042767 /nfs/dbraw/zinc/04/27/67/656042767.db2.gz KONLGTWNNVNGJQ-PBHICJAKSA-N 2 1 386.968 2.888 20 0 GFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775377423 656633922 /nfs/dbraw/zinc/63/39/22/656633922.db2.gz WYYSKUOSHPTOKS-AQNXPRMDSA-N 2 1 377.623 2.903 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1snc(Cl)c1Cl ZINC000845375228 661468107 /nfs/dbraw/zinc/46/81/07/661468107.db2.gz HCHTZDNEJLVUIL-LLVKDONJSA-N 2 1 379.357 2.938 20 0 GFADMP C[Si](C)(CC[NH+]1CCO[C@@H](CCF)C1)CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000859908269 662178719 /nfs/dbraw/zinc/17/87/19/662178719.db2.gz DXDPUAQKSPMAHE-ROUUACIJSA-N 2 1 378.580 2.816 20 0 GFADMP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC000866594119 662482803 /nfs/dbraw/zinc/48/28/03/662482803.db2.gz AGXBYTIQDZMATL-CVEARBPZSA-N 2 1 395.341 2.986 20 0 GFADMP C[C@@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055919 662914992 /nfs/dbraw/zinc/91/49/92/662914992.db2.gz HYIIYYMHEAPGQR-ZBFHGGJFSA-N 2 1 394.357 2.837 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328502 663069121 /nfs/dbraw/zinc/06/91/21/663069121.db2.gz RHXMCUNAPSMKQE-WBAXXEDZSA-N 2 1 392.341 2.924 20 0 GFADMP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388202 664598129 /nfs/dbraw/zinc/59/81/29/664598129.db2.gz CVVGPDPHFLZRIE-TVFCKZIOSA-N 2 1 382.346 2.722 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000923400294 664629874 /nfs/dbraw/zinc/62/98/74/664629874.db2.gz ABMNAGIVSRSEPO-MGPQQGTHSA-N 2 1 380.838 2.847 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000923400294 664629877 /nfs/dbraw/zinc/62/98/77/664629877.db2.gz ABMNAGIVSRSEPO-MGPQQGTHSA-N 2 1 380.838 2.847 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426064 718919187 /nfs/dbraw/zinc/91/91/87/718919187.db2.gz WDTNGDFXFCFIMB-IRLDBZIGSA-N 2 1 388.556 2.604 20 0 GFADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(N5CC[NH2+]CC5)cn4)[C@H]3C2)cc1 ZINC001164631477 719090048 /nfs/dbraw/zinc/09/00/48/719090048.db2.gz YHXGRDLRMSEOGD-IRLDBZIGSA-N 2 1 377.536 2.592 20 0 GFADMP CCOC(=O)c1cc(Cl)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683241 719601584 /nfs/dbraw/zinc/60/15/84/719601584.db2.gz HXOSMRLSQVXLGO-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CCOC(=O)c1cc(Cl)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1 ZINC001164683241 719601594 /nfs/dbraw/zinc/60/15/94/719601594.db2.gz HXOSMRLSQVXLGO-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP COc1ccccc1-c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164679803 719642734 /nfs/dbraw/zinc/64/27/34/719642734.db2.gz NSMYKTYKRCRUNO-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1ccccc1-c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164679803 719642736 /nfs/dbraw/zinc/64/27/36/719642736.db2.gz NSMYKTYKRCRUNO-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1ccccc1-c1ccnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680184 719643378 /nfs/dbraw/zinc/64/33/78/719643378.db2.gz RTHCPHAFNGJANS-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1ccccc1-c1ccnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164680184 719643379 /nfs/dbraw/zinc/64/33/79/719643379.db2.gz RTHCPHAFNGJANS-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3cccc(F)c3)nn2)c2c1CC[NH2+]C2 ZINC001164680176 719644439 /nfs/dbraw/zinc/64/44/39/719644439.db2.gz RJBZALSTZBSJJR-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3cccc(F)c3)nn2)c2c1CC[NH2+]C2 ZINC001164680176 719644448 /nfs/dbraw/zinc/64/44/48/719644448.db2.gz RJBZALSTZBSJJR-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@@H]2CCN3c2ccc3c([nH+]2)CCCC3)CC1 ZINC001164818643 720312427 /nfs/dbraw/zinc/31/24/27/720312427.db2.gz AXHWFZUQZFOCCB-SFTDATJTSA-N 2 1 382.552 2.872 20 0 GFADMP C[N@@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164840945 720667847 /nfs/dbraw/zinc/66/78/47/720667847.db2.gz OCXIKHMYTOCAIG-OAQYLSRUSA-N 2 1 392.547 2.987 20 0 GFADMP Clc1nc2c(c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n1)C[NH2+]CC2 ZINC001164954863 722012495 /nfs/dbraw/zinc/01/24/95/722012495.db2.gz PQXCMLQRDCDNCM-UHFFFAOYSA-N 2 1 398.942 2.663 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152851833 551441014 /nfs/dbraw/zinc/44/10/14/551441014.db2.gz WKWAIOYOJGQDMS-OAHLLOKOSA-N 2 1 392.345 2.726 20 0 GFADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284736 552137514 /nfs/dbraw/zinc/13/75/14/552137514.db2.gz QSIYXVSDEJQCRO-WBVHZDCISA-N 2 1 385.346 2.853 20 0 GFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284736 552137516 /nfs/dbraw/zinc/13/75/16/552137516.db2.gz QSIYXVSDEJQCRO-WBVHZDCISA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284736 552137517 /nfs/dbraw/zinc/13/75/17/552137517.db2.gz QSIYXVSDEJQCRO-WBVHZDCISA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000176284736 552137519 /nfs/dbraw/zinc/13/75/19/552137519.db2.gz QSIYXVSDEJQCRO-WBVHZDCISA-N 2 1 385.346 2.853 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@@H](C)C1 ZINC000246944406 553115600 /nfs/dbraw/zinc/11/56/00/553115600.db2.gz HVUIGYVOSBEYTL-WMLDXEAASA-N 2 1 382.346 2.889 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261647098 553155112 /nfs/dbraw/zinc/15/51/12/553155112.db2.gz JFEONVGHMKRNHH-PBHICJAKSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261647098 553155116 /nfs/dbraw/zinc/15/51/16/553155116.db2.gz JFEONVGHMKRNHH-PBHICJAKSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261670836 553155940 /nfs/dbraw/zinc/15/59/40/553155940.db2.gz LSGBDBWNLFMBMR-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261670836 553155941 /nfs/dbraw/zinc/15/59/41/553155941.db2.gz LSGBDBWNLFMBMR-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775760 553159008 /nfs/dbraw/zinc/15/90/08/553159008.db2.gz XKYIOGPPJDUPSV-SJLPKXTDSA-N 2 1 394.357 2.838 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)cc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261791943 553159109 /nfs/dbraw/zinc/15/91/09/553159109.db2.gz ZBDGVEBKGIRJAJ-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)cc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261791943 553159111 /nfs/dbraw/zinc/15/91/11/553159111.db2.gz ZBDGVEBKGIRJAJ-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)O1 ZINC000261796707 553159740 /nfs/dbraw/zinc/15/97/40/553159740.db2.gz NVXKTMUJXVIPDY-PBHICJAKSA-N 2 1 386.323 2.580 20 0 GFADMP CC[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]1 ZINC000422909230 563350724 /nfs/dbraw/zinc/35/07/24/563350724.db2.gz NRHILNSGXAMXKF-IRXDYDNUSA-N 2 1 382.346 2.918 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)oc1C ZINC000424638058 563385043 /nfs/dbraw/zinc/38/50/43/563385043.db2.gz KKNBFRSSOSTFRE-CQSZACIVSA-N 2 1 386.334 2.839 20 0 GFADMP COC(=O)[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000413495734 563694557 /nfs/dbraw/zinc/69/45/57/563694557.db2.gz JQQDXRZEVOSQID-LBPRGKRZSA-N 2 1 378.270 2.538 20 0 GFADMP COC(=O)[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[N@@H+](C)C1 ZINC000413495734 563694560 /nfs/dbraw/zinc/69/45/60/563694560.db2.gz JQQDXRZEVOSQID-LBPRGKRZSA-N 2 1 378.270 2.538 20 0 GFADMP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(I)c1OC ZINC000414903639 563754378 /nfs/dbraw/zinc/75/43/78/563754378.db2.gz KFNCIKBLZIUDPJ-GFCCVEGCSA-N 2 1 390.265 2.540 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102690 563759015 /nfs/dbraw/zinc/75/90/15/563759015.db2.gz CQVXYRGAKRXPLF-CXAGYDPISA-N 2 1 378.318 2.940 20 0 GFADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000443058091 563789652 /nfs/dbraw/zinc/78/96/52/563789652.db2.gz JDPCEQLZFDNYMP-ZDUSSCGKSA-N 2 1 379.302 2.984 20 0 GFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000443058091 563789654 /nfs/dbraw/zinc/78/96/54/563789654.db2.gz JDPCEQLZFDNYMP-ZDUSSCGKSA-N 2 1 379.302 2.984 20 0 GFADMP Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000366288043 563804191 /nfs/dbraw/zinc/80/41/91/563804191.db2.gz IOCDIICOWICXKJ-AWEZNQCLSA-N 2 1 380.330 2.656 20 0 GFADMP Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000366288043 563804195 /nfs/dbraw/zinc/80/41/95/563804195.db2.gz IOCDIICOWICXKJ-AWEZNQCLSA-N 2 1 380.330 2.656 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444263280 563826392 /nfs/dbraw/zinc/82/63/92/563826392.db2.gz FAUSRXXGZMJZNX-IEBWSBKVSA-N 2 1 392.341 2.529 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244959 563837752 /nfs/dbraw/zinc/83/77/52/563837752.db2.gz URGDHXJIPHCFJR-FDPIWHGQSA-N 2 1 397.357 2.962 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(I)cc2)CCCO1 ZINC000449281087 564179014 /nfs/dbraw/zinc/17/90/14/564179014.db2.gz CDHNPHXWTGNLTG-CQSZACIVSA-N 2 1 388.293 2.882 20 0 GFADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519413 564194468 /nfs/dbraw/zinc/19/44/68/564194468.db2.gz OJEFXCMWRFGJQU-ZBFHGGJFSA-N 2 1 397.313 2.896 20 0 GFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357391 564276611 /nfs/dbraw/zinc/27/66/11/564276611.db2.gz OHYTXSGUUWEUGT-CQDKDKBSSA-N 2 1 387.343 2.775 20 0 GFADMP C[N@H+]1CCCC12CCN(C[C@H](O)COc1ccc(Br)cc1)CC2 ZINC000542266644 564307917 /nfs/dbraw/zinc/30/79/17/564307917.db2.gz JKJUZLCVIFZCTC-INIZCTEOSA-N 2 1 383.330 2.749 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](CO)Cc2ccc(Br)cc2)s1 ZINC000511788952 564381909 /nfs/dbraw/zinc/38/19/09/564381909.db2.gz VQOWEZJRKZOVGB-CQSZACIVSA-N 2 1 398.370 2.908 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000567690142 564382922 /nfs/dbraw/zinc/38/29/22/564382922.db2.gz ZCMYSZFJRMTVBD-MRXNPFEDSA-N 2 1 382.302 2.764 20 0 GFADMP COc1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(Br)c1 ZINC000512044253 564390277 /nfs/dbraw/zinc/39/02/77/564390277.db2.gz DQHYBYJIXNZYJU-UHFFFAOYSA-N 2 1 384.362 2.821 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479067822 564424431 /nfs/dbraw/zinc/42/44/31/564424431.db2.gz WMHBPQAAABGCEM-GOSISDBHSA-N 2 1 398.320 2.793 20 0 GFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083968 564445392 /nfs/dbraw/zinc/44/53/92/564445392.db2.gz GQLDJIBAAQKNQS-WCQYABFASA-N 2 1 392.256 2.538 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1Br ZINC000453384951 564455846 /nfs/dbraw/zinc/45/58/46/564455846.db2.gz UJOPCSWSNDIAND-UKPHBRMFSA-N 2 1 385.346 2.539 20 0 GFADMP CN(CCC[N@@H+](C)Cc1cc(Br)cc2c1OCC2)CC[NH+](C)C ZINC000569954678 564485558 /nfs/dbraw/zinc/48/55/58/564485558.db2.gz YBLBVLGJENXFIU-UHFFFAOYSA-N 2 1 384.362 2.699 20 0 GFADMP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000571323200 564546419 /nfs/dbraw/zinc/54/64/19/564546419.db2.gz UHMSNXBSDFNLBY-HNNXBMFYSA-N 2 1 399.377 2.591 20 0 GFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000482884369 564552721 /nfs/dbraw/zinc/55/27/21/564552721.db2.gz CEJWJXLQBNDOMW-RHSMWYFYSA-N 2 1 382.346 2.727 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000552275877 564684383 /nfs/dbraw/zinc/68/43/83/564684383.db2.gz CQLLNIGEPABDRU-OTRWWLKZSA-N 2 1 383.330 2.651 20 0 GFADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318152 564797336 /nfs/dbraw/zinc/79/73/36/564797336.db2.gz CVDPUBIXFUYNEU-IUODEOHRSA-N 2 1 398.276 2.551 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584173256 564923897 /nfs/dbraw/zinc/92/38/97/564923897.db2.gz GADJOBBFBSJRMF-HZPDHXFCSA-N 2 1 394.357 2.729 20 0 GFADMP Brc1cnc2c(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184568 565187946 /nfs/dbraw/zinc/18/79/46/565187946.db2.gz YSDHNAWZSQETBD-CXAGYDPISA-N 2 1 390.329 2.941 20 0 GFADMP C[NH+](C)CC1CCC(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000659319177 565212879 /nfs/dbraw/zinc/21/28/79/565212879.db2.gz OFGNEBSQJDEWAL-UHFFFAOYSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617506178 565243866 /nfs/dbraw/zinc/24/38/66/565243866.db2.gz DOWJJCKRFOLDHR-LSDHHAIUSA-N 2 1 384.362 2.941 20 0 GFADMP C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccc(Br)cc1 ZINC000617506178 565243872 /nfs/dbraw/zinc/24/38/72/565243872.db2.gz DOWJJCKRFOLDHR-LSDHHAIUSA-N 2 1 384.362 2.941 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000617506217 565244295 /nfs/dbraw/zinc/24/42/95/565244295.db2.gz FWOIJFAZJWCDBN-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)c(F)c1 ZINC000617506217 565244297 /nfs/dbraw/zinc/24/42/97/565244297.db2.gz FWOIJFAZJWCDBN-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[N@H+]1CC[C@]2(C1)CCCN([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661775 565288338 /nfs/dbraw/zinc/28/83/38/565288338.db2.gz GHLKXGMWBDSPAM-MJGOQNOKSA-N 2 1 392.341 2.972 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321199 565360172 /nfs/dbraw/zinc/36/01/72/565360172.db2.gz ZHAVIPXFEKTWCS-JKSUJKDBSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321199 565360173 /nfs/dbraw/zinc/36/01/73/565360173.db2.gz ZHAVIPXFEKTWCS-JKSUJKDBSA-N 2 1 391.339 2.776 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1cccs1 ZINC000662743938 565383220 /nfs/dbraw/zinc/38/32/20/565383220.db2.gz ABHOXHHFZXZZNT-XPKDYRNWSA-N 2 1 375.460 2.789 20 0 GFADMP C[NH2+][C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972052 565391217 /nfs/dbraw/zinc/39/12/17/565391217.db2.gz HNJFURWDNSLDKY-GUYCJALGSA-N 2 1 388.339 2.823 20 0 GFADMP Ic1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594992843 565439587 /nfs/dbraw/zinc/43/95/87/565439587.db2.gz KKPKUSJKEYEMDW-INIZCTEOSA-N 2 1 386.277 2.634 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(Br)c1 ZINC000663856272 565439970 /nfs/dbraw/zinc/43/99/70/565439970.db2.gz PGWWTJSLDDXBHE-AWEZNQCLSA-N 2 1 385.350 2.520 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1cccc(Br)c1 ZINC000663856272 565439976 /nfs/dbraw/zinc/43/99/76/565439976.db2.gz PGWWTJSLDDXBHE-AWEZNQCLSA-N 2 1 385.350 2.520 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193774 565526509 /nfs/dbraw/zinc/52/65/09/565526509.db2.gz WJCOMFNWMMNJPQ-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(Br)c(F)c1 ZINC000666193774 565526511 /nfs/dbraw/zinc/52/65/11/565526511.db2.gz WJCOMFNWMMNJPQ-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[N@@H+](CCCn1ccnc1)[C@H]1CCc2cc(Br)ccc2NC1=O ZINC000625273476 565614920 /nfs/dbraw/zinc/61/49/20/565614920.db2.gz NXDOBVUFPQMUNA-INIZCTEOSA-N 2 1 377.286 2.921 20 0 GFADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000629569327 565859062 /nfs/dbraw/zinc/85/90/62/565859062.db2.gz PTAVQIZAUKXHRU-LLVKDONJSA-N 2 1 381.826 2.854 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000629569327 565859066 /nfs/dbraw/zinc/85/90/66/565859066.db2.gz PTAVQIZAUKXHRU-LLVKDONJSA-N 2 1 381.826 2.854 20 0 GFADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629974169 565877934 /nfs/dbraw/zinc/87/79/34/565877934.db2.gz XAHVHJGNKAHQEL-UHFFFAOYSA-N 2 1 382.346 2.824 20 0 GFADMP CN1CCC([N@H+]2CC[C@@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395098 565902759 /nfs/dbraw/zinc/90/27/59/565902759.db2.gz RJXPJULEZMEOOB-CQSZACIVSA-N 2 1 390.329 2.973 20 0 GFADMP Brc1cnn(CCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655764827 566087549 /nfs/dbraw/zinc/08/75/49/566087549.db2.gz SKCORJKLKCDLMR-KRWDZBQOSA-N 2 1 385.350 2.659 20 0 GFADMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000635693143 566222688 /nfs/dbraw/zinc/22/26/88/566222688.db2.gz YASSOZGHWCUCJW-MRXNPFEDSA-N 2 1 394.357 2.872 20 0 GFADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000635693143 566222693 /nfs/dbraw/zinc/22/26/93/566222693.db2.gz YASSOZGHWCUCJW-MRXNPFEDSA-N 2 1 394.357 2.872 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736858904 598561907 /nfs/dbraw/zinc/56/19/07/598561907.db2.gz VPPLBTBRQNAJJG-GOSISDBHSA-N 2 1 392.507 2.877 20 0 GFADMP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000823780050 606426797 /nfs/dbraw/zinc/42/67/97/606426797.db2.gz NCIGKWVUVXZDAJ-UHFFFAOYSA-N 2 1 396.495 2.621 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157944 608378441 /nfs/dbraw/zinc/37/84/41/608378441.db2.gz SGWQILMUFXNZTH-KRWDZBQOSA-N 2 1 386.544 2.998 20 0 GFADMP C[NH+]1CCN(CCCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817575304 660201238 /nfs/dbraw/zinc/20/12/38/660201238.db2.gz HDTIMQMTERMSNE-HNNXBMFYSA-N 2 1 387.391 2.974 20 0 GFADMP COc1cc([C@H](C)[NH2+][C@@H](CN)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980421 660212777 /nfs/dbraw/zinc/21/27/77/660212777.db2.gz ASXBRJKVABYGCO-FZMZJTMJSA-N 2 1 376.469 2.860 20 0 GFADMP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000755776866 655888764 /nfs/dbraw/zinc/88/87/64/655888764.db2.gz DFIDEQUBKGUKBD-OAHLLOKOSA-N 2 1 377.583 2.840 20 0 GFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000755776866 655888765 /nfs/dbraw/zinc/88/87/65/655888765.db2.gz DFIDEQUBKGUKBD-OAHLLOKOSA-N 2 1 377.583 2.840 20 0 GFADMP C[NH+]1CCC(C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000788487852 657728526 /nfs/dbraw/zinc/72/85/26/657728526.db2.gz JGHPPOVFHNWYJM-OAHLLOKOSA-N 2 1 395.345 2.836 20 0 GFADMP C[N@@H+](CC(=O)Nc1c(F)cc(F)cc1Br)C1CCC([NH3+])CC1 ZINC000843353619 661378401 /nfs/dbraw/zinc/37/84/01/661378401.db2.gz FNOIMZBYJQFVTB-UHFFFAOYSA-N 2 1 376.245 2.868 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363599 661378528 /nfs/dbraw/zinc/37/85/28/661378528.db2.gz BARDERMQKIGFRP-OAHLLOKOSA-N 2 1 394.357 2.872 20 0 GFADMP O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1sc2c(c1Br)C[NH2+]C2 ZINC000851634782 661827013 /nfs/dbraw/zinc/82/70/13/661827013.db2.gz GLQWBDFXDSSSBF-CYBMUJFWSA-N 2 1 392.322 2.731 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979318 662869119 /nfs/dbraw/zinc/86/91/19/662869119.db2.gz AZIWDTBFSZPMPS-YOEHRIQHSA-N 2 1 380.330 2.687 20 0 GFADMP C[NH+](C)C1CCN(CC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877158338 662871813 /nfs/dbraw/zinc/87/18/13/662871813.db2.gz HNSOSKDUWDGJPR-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP C[C@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055917 662914946 /nfs/dbraw/zinc/91/49/46/662914946.db2.gz HYIIYYMHEAPGQR-GOEBONIOSA-N 2 1 394.357 2.837 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883377304 663054214 /nfs/dbraw/zinc/05/42/14/663054214.db2.gz DQCQBMFTMBGSSZ-INMHGKMJSA-N 2 1 378.314 2.919 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000883377304 663054217 /nfs/dbraw/zinc/05/42/17/663054217.db2.gz DQCQBMFTMBGSSZ-INMHGKMJSA-N 2 1 378.314 2.919 20 0 GFADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892907026 663389167 /nfs/dbraw/zinc/38/91/67/663389167.db2.gz WGDJSBXQMCHQNW-YJBOKZPZSA-N 2 1 384.973 2.965 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@@H]1C(C)C ZINC000922392086 664598830 /nfs/dbraw/zinc/59/88/30/664598830.db2.gz CSJZGSXGUKWEAA-XLMAVXFVSA-N 2 1 382.346 2.804 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358614 664628892 /nfs/dbraw/zinc/62/88/92/664628892.db2.gz IVYNGEDLOKTYNW-ZLDLUXBVSA-N 2 1 389.721 2.526 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000923358614 664628893 /nfs/dbraw/zinc/62/88/93/664628893.db2.gz IVYNGEDLOKTYNW-ZLDLUXBVSA-N 2 1 389.721 2.526 20 0 GFADMP CCOc1ccc2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164684853 719625076 /nfs/dbraw/zinc/62/50/76/719625076.db2.gz YDCCQGXEQDFJFN-UHFFFAOYSA-N 2 1 380.496 2.700 20 0 GFADMP CCOc1ccc2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164684853 719625079 /nfs/dbraw/zinc/62/50/79/719625079.db2.gz YDCCQGXEQDFJFN-UHFFFAOYSA-N 2 1 380.496 2.700 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3[nH]c4cc(F)ccc4c32)c2c1CC[NH2+]C2 ZINC001164680382 719651708 /nfs/dbraw/zinc/65/17/08/719651708.db2.gz GGFHZHPWVLJJEW-UHFFFAOYSA-N 2 1 393.470 2.922 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3[nH]c4cc(F)ccc4c32)c2c1CC[NH2+]C2 ZINC001164680382 719651710 /nfs/dbraw/zinc/65/17/10/719651710.db2.gz GGFHZHPWVLJJEW-UHFFFAOYSA-N 2 1 393.470 2.922 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724402 720481282 /nfs/dbraw/zinc/48/12/82/720481282.db2.gz FYTIEVCJXAMKIY-FGZHOGPDSA-N 2 1 393.535 2.708 20 0 GFADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834441 720504693 /nfs/dbraw/zinc/50/46/93/720504693.db2.gz GMRFXGLBOJTXGJ-VAMGGRTRSA-N 2 1 397.571 2.815 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1CCc2ncc(C[NH+]3CCCC3)n2CC1 ZINC001164736286 720576780 /nfs/dbraw/zinc/57/67/80/720576780.db2.gz GVGJQUQKSVTVRU-UHFFFAOYSA-N 2 1 379.512 2.867 20 0 GFADMP COCCn1ccc2c1nc[nH+]c2N1CCn2c(C[N@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864197 720969911 /nfs/dbraw/zinc/96/99/11/720969911.db2.gz ZIZRSMJNIHBGHS-INIZCTEOSA-N 2 1 397.527 2.696 20 0 GFADMP COCCn1ccc2c1nc[nH+]c2N1CCn2c(C[N@@H+](C)C(C)C)cnc2[C@@H]1C ZINC001164864197 720969918 /nfs/dbraw/zinc/96/99/18/720969918.db2.gz ZIZRSMJNIHBGHS-INIZCTEOSA-N 2 1 397.527 2.696 20 0 GFADMP Cc1cc(S(=O)(=O)NCC[NH2+]C2CC[NH+](C3CCCC3)CC2)c(C)s1 ZINC000359864717 212120508 /nfs/dbraw/zinc/12/05/08/212120508.db2.gz BRKDJCCDHHWEMG-UHFFFAOYSA-N 2 1 385.599 2.640 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)[C@H](C)C1 ZINC000248157917 553127884 /nfs/dbraw/zinc/12/78/84/553127884.db2.gz RRAOKPACQXSWIC-INMHGKMJSA-N 2 1 387.366 2.761 20 0 GFADMP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000261745091 553157799 /nfs/dbraw/zinc/15/77/99/553157799.db2.gz MDGLQRZAJFLXDT-LBTNJELSSA-N 2 1 382.346 2.860 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000261864230 553160893 /nfs/dbraw/zinc/16/08/93/553160893.db2.gz KQMOYLCJGMTQCA-SDNTUTLCSA-N 2 1 380.330 2.686 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000261864230 553160894 /nfs/dbraw/zinc/16/08/94/553160894.db2.gz KQMOYLCJGMTQCA-SDNTUTLCSA-N 2 1 380.330 2.686 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000262301050 553168811 /nfs/dbraw/zinc/16/88/11/553168811.db2.gz OPMCPKWVEOZRCH-IUODEOHRSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000262301050 553168812 /nfs/dbraw/zinc/16/88/12/553168812.db2.gz OPMCPKWVEOZRCH-IUODEOHRSA-N 2 1 386.359 2.591 20 0 GFADMP C[C@H]([NH2+]CCOc1ccc(I)cc1)c1c[nH+]ccc1N ZINC000423113687 563356415 /nfs/dbraw/zinc/35/64/15/563356415.db2.gz KVVOLMOIVVIFAL-NSHDSACASA-N 2 1 383.233 2.828 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1 ZINC000423161694 563357656 /nfs/dbraw/zinc/35/76/56/563357656.db2.gz OCKQVIVGUOYHPS-JJRVBVJISA-N 2 1 385.346 2.729 20 0 GFADMP COC[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405350 563360441 /nfs/dbraw/zinc/36/04/41/563360441.db2.gz ZAFKGVQGSRHRJW-UONOGXRCSA-N 2 1 383.817 2.592 20 0 GFADMP COc1cc2[nH+]ccc(NCCC[NH+]3CCOCC3)c2cc1Br ZINC000425200632 563410659 /nfs/dbraw/zinc/41/06/59/563410659.db2.gz LPIFTOHBOMZLKP-UHFFFAOYSA-N 2 1 380.286 2.562 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1C ZINC000303178112 563433379 /nfs/dbraw/zinc/43/33/79/563433379.db2.gz XUPITOLCDCWYOR-MRXNPFEDSA-N 2 1 387.977 2.685 20 0 GFADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000404268356 563536745 /nfs/dbraw/zinc/53/67/45/563536745.db2.gz IXSHPPKECIQOEL-RHSMWYFYSA-N 2 1 382.346 2.857 20 0 GFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000404268356 563536748 /nfs/dbraw/zinc/53/67/48/563536748.db2.gz IXSHPPKECIQOEL-RHSMWYFYSA-N 2 1 382.346 2.857 20 0 GFADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430592823 563546104 /nfs/dbraw/zinc/54/61/04/563546104.db2.gz IBUKHGCTXSQSIO-ZDUSSCGKSA-N 2 1 384.318 2.606 20 0 GFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109805 563620805 /nfs/dbraw/zinc/62/08/05/563620805.db2.gz GFAYAHDGJGQBHN-SJLPKXTDSA-N 2 1 393.329 2.815 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000290045214 563695967 /nfs/dbraw/zinc/69/59/67/563695967.db2.gz WQWSPPMCKAHWGK-UHFFFAOYSA-N 2 1 375.274 2.715 20 0 GFADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057313 563717207 /nfs/dbraw/zinc/71/72/07/563717207.db2.gz RJANVBRRBFGBPP-KBXCAEBGSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000414057313 563717210 /nfs/dbraw/zinc/71/72/10/563717210.db2.gz RJANVBRRBFGBPP-KBXCAEBGSA-N 2 1 394.357 2.727 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@@H]1CC1(Cl)Cl ZINC000364171152 563745265 /nfs/dbraw/zinc/74/52/65/563745265.db2.gz BFYHARWKJUCFON-INIZCTEOSA-N 2 1 376.372 2.835 20 0 GFADMP CCC[NH2+]CC[NH2+]C1CCN(C(=O)c2ccc(Br)cc2C)CC1 ZINC000414872090 563753483 /nfs/dbraw/zinc/75/34/83/563753483.db2.gz PDTVBIAHMBWOKM-UHFFFAOYSA-N 2 1 382.346 2.951 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000471709533 564202166 /nfs/dbraw/zinc/20/21/66/564202166.db2.gz QLZWEWCMXIHXTE-UHFFFAOYSA-N 2 1 391.313 2.598 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000472262236 564218065 /nfs/dbraw/zinc/21/80/65/564218065.db2.gz LULKHBWZKDMJIP-QGZVFWFLSA-N 2 1 398.345 2.820 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000472262236 564218068 /nfs/dbraw/zinc/21/80/68/564218068.db2.gz LULKHBWZKDMJIP-QGZVFWFLSA-N 2 1 398.345 2.820 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1O ZINC000567243052 564363194 /nfs/dbraw/zinc/36/31/94/564363194.db2.gz MQZNOEPHKWDYKT-PBHICJAKSA-N 2 1 399.329 2.882 20 0 GFADMP [NH3+][C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)c2ccccc21 ZINC000567490104 564373858 /nfs/dbraw/zinc/37/38/58/564373858.db2.gz QPTYSFPBMILHGW-COXVUDFISA-N 2 1 377.535 2.636 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](CO)Cc2ccc(Br)cc2)s1 ZINC000511788951 564382033 /nfs/dbraw/zinc/38/20/33/564382033.db2.gz VQOWEZJRKZOVGB-AWEZNQCLSA-N 2 1 398.370 2.908 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2csc(Br)c2)C2CC2)CC1 ZINC000514102977 564445772 /nfs/dbraw/zinc/44/57/72/564445772.db2.gz YCNHHFCKVBKZQO-UHFFFAOYSA-N 2 1 386.359 2.639 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2csc(Br)c2)C2CC2)CC1 ZINC000514102977 564445776 /nfs/dbraw/zinc/44/57/76/564445776.db2.gz YCNHHFCKVBKZQO-UHFFFAOYSA-N 2 1 386.359 2.639 20 0 GFADMP C[N@H+]1CC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569095246 564448678 /nfs/dbraw/zinc/44/86/78/564448678.db2.gz OLODMGVCWKHSEO-LBTNJELSSA-N 2 1 385.936 2.683 20 0 GFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850020 564480870 /nfs/dbraw/zinc/48/08/70/564480870.db2.gz BVZCMTWVDSZPSZ-CRAIPNDOSA-N 2 1 387.977 2.978 20 0 GFADMP Cc1nc(-c2cc([C@@H](C)[NH2+]CCC(=O)N3CC[NH+](C)CC3)cs2)cs1 ZINC000482432258 564542855 /nfs/dbraw/zinc/54/28/55/564542855.db2.gz AEWOOPXZUGKNQN-CYBMUJFWSA-N 2 1 378.567 2.995 20 0 GFADMP [NH3+]CCCOC1CC[NH+]([C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000520584229 564608458 /nfs/dbraw/zinc/60/84/58/564608458.db2.gz HTMJTXJMNPJIJP-QGZVFWFLSA-N 2 1 386.323 2.929 20 0 GFADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(Cl)cc1Br ZINC000527692984 564756299 /nfs/dbraw/zinc/75/62/99/564756299.db2.gz QMNLKJYQBYUJKH-LBPRGKRZSA-N 2 1 375.742 2.613 20 0 GFADMP C[NH+](C)C[C@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387972 564833308 /nfs/dbraw/zinc/83/33/08/564833308.db2.gz RDYXOQPQPZOFDL-RDJZCZTQSA-N 2 1 391.318 2.939 20 0 GFADMP C[NH+](C)C[C@@H](NC(=O)N1CC[NH2+]C[C@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387974 564833453 /nfs/dbraw/zinc/83/34/53/564833453.db2.gz RDYXOQPQPZOFDL-WBVHZDCISA-N 2 1 391.318 2.939 20 0 GFADMP Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)s1 ZINC000557273524 564859275 /nfs/dbraw/zinc/85/92/75/564859275.db2.gz LWXHFCNOHVWHAR-UHFFFAOYSA-N 2 1 385.599 2.722 20 0 GFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)C1 ZINC000657596850 565111849 /nfs/dbraw/zinc/11/18/49/565111849.db2.gz ZSAMWHVOTCCHFD-GOSISDBHSA-N 2 1 376.298 2.701 20 0 GFADMP N[C@@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341495 565361581 /nfs/dbraw/zinc/36/15/81/565361581.db2.gz QMHLJBYGWKXWFA-CRAIPNDOSA-N 2 1 388.309 2.840 20 0 GFADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341495 565361585 /nfs/dbraw/zinc/36/15/85/565361585.db2.gz QMHLJBYGWKXWFA-CRAIPNDOSA-N 2 1 388.309 2.840 20 0 GFADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662405980 565366321 /nfs/dbraw/zinc/36/63/21/565366321.db2.gz BSHVEPIAWFZQTD-QDEZUTFSSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662405980 565366326 /nfs/dbraw/zinc/36/63/26/565366326.db2.gz BSHVEPIAWFZQTD-QDEZUTFSSA-N 2 1 382.346 2.932 20 0 GFADMP [NH3+][C@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1Br ZINC000662577657 565378190 /nfs/dbraw/zinc/37/81/90/565378190.db2.gz BVGLCDJIXCCGOQ-HOUAESTISA-N 2 1 392.341 2.719 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000662594464 565379119 /nfs/dbraw/zinc/37/91/19/565379119.db2.gz TWZYVJKVPOGKQA-ACJLOTCBSA-N 2 1 382.346 2.860 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000662796841 565384893 /nfs/dbraw/zinc/38/48/93/565384893.db2.gz CSGGDSZQVPZPAP-LZWOXQAQSA-N 2 1 375.822 2.743 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1ccc(Cl)cc1 ZINC000662796841 565384897 /nfs/dbraw/zinc/38/48/97/565384897.db2.gz CSGGDSZQVPZPAP-LZWOXQAQSA-N 2 1 375.822 2.743 20 0 GFADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)cc(I)c1OC ZINC000594739270 565412977 /nfs/dbraw/zinc/41/29/77/565412977.db2.gz RKYPBTMDWPUCPV-UHFFFAOYSA-N 2 1 390.265 2.670 20 0 GFADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041126 565672729 /nfs/dbraw/zinc/67/27/29/565672729.db2.gz QYUSCUMHTGHXIF-NVXWUHKLSA-N 2 1 394.357 2.791 20 0 GFADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041126 565672735 /nfs/dbraw/zinc/67/27/35/565672735.db2.gz QYUSCUMHTGHXIF-NVXWUHKLSA-N 2 1 394.357 2.791 20 0 GFADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041126 565672738 /nfs/dbraw/zinc/67/27/38/565672738.db2.gz QYUSCUMHTGHXIF-NVXWUHKLSA-N 2 1 394.357 2.791 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000669681482 565699126 /nfs/dbraw/zinc/69/91/26/565699126.db2.gz NJLIJBVWEYSRIB-UHFFFAOYSA-N 2 1 376.289 2.845 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531843 565857339 /nfs/dbraw/zinc/85/73/39/565857339.db2.gz ABDXPUJOWGXKMP-VBQJREDUSA-N 2 1 378.314 2.634 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(N2CC([N@H+]3CC[C@@H](O)C3)C2)c1C ZINC000651452753 565864306 /nfs/dbraw/zinc/86/43/06/565864306.db2.gz XYYQKLGGJCMQAE-OAHLLOKOSA-N 2 1 376.298 2.869 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722658 566173130 /nfs/dbraw/zinc/17/31/30/566173130.db2.gz SFKHDTSWLAXMBF-SJORKVTESA-N 2 1 389.323 2.576 20 0 GFADMP CN(C(=O)c1cccc(Br)c1F)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683243746 566189779 /nfs/dbraw/zinc/18/97/79/566189779.db2.gz HHEPJTRTFZGXAY-AWEZNQCLSA-N 2 1 398.320 2.829 20 0 GFADMP CN(C(=O)c1cccc(Br)c1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683243746 566189786 /nfs/dbraw/zinc/18/97/86/566189786.db2.gz HHEPJTRTFZGXAY-AWEZNQCLSA-N 2 1 398.320 2.829 20 0 GFADMP c1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738412975 598717543 /nfs/dbraw/zinc/71/75/43/598717543.db2.gz OWAPDXQRIYDXCD-GOSISDBHSA-N 2 1 384.528 2.834 20 0 GFADMP c1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000738412975 598717545 /nfs/dbraw/zinc/71/75/45/598717545.db2.gz OWAPDXQRIYDXCD-GOSISDBHSA-N 2 1 384.528 2.834 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705035 606914985 /nfs/dbraw/zinc/91/49/85/606914985.db2.gz RQHKVEQICCGNDB-UTKZUKDTSA-N 2 1 398.555 2.877 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000826157805 608378422 /nfs/dbraw/zinc/37/84/22/608378422.db2.gz MWJHRVPHZMKZEL-UHFFFAOYSA-N 2 1 390.507 2.576 20 0 GFADMP COCCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881030 654990067 /nfs/dbraw/zinc/99/00/67/654990067.db2.gz XSTSUGZDHZATGR-ZWKOTPCHSA-N 2 1 385.346 2.963 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872560 655183362 /nfs/dbraw/zinc/18/33/62/655183362.db2.gz AXLMYTBBNAJMHW-AEFFLSMTSA-N 2 1 397.357 2.997 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173872560 655183364 /nfs/dbraw/zinc/18/33/64/655183364.db2.gz AXLMYTBBNAJMHW-AEFFLSMTSA-N 2 1 397.357 2.997 20 0 GFADMP CC(C)(C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000119338546 655299710 /nfs/dbraw/zinc/29/97/10/655299710.db2.gz HHAAZAMDUILQPP-MRXNPFEDSA-N 2 1 382.346 2.903 20 0 GFADMP C[N@@H+](CCCC[NH2+]Cc1cn(-c2ccccc2Br)nn1)C1CC1 ZINC000453601770 655411813 /nfs/dbraw/zinc/41/18/13/655411813.db2.gz VQSZYXGAFDYJJJ-UHFFFAOYSA-N 2 1 378.318 2.994 20 0 GFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401246 655728707 /nfs/dbraw/zinc/72/87/07/655728707.db2.gz ZTHGFMLLBBOEJD-AWEZNQCLSA-N 2 1 378.314 2.995 20 0 GFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401246 655728708 /nfs/dbraw/zinc/72/87/08/655728708.db2.gz ZTHGFMLLBBOEJD-AWEZNQCLSA-N 2 1 378.314 2.995 20 0 GFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401246 655728710 /nfs/dbraw/zinc/72/87/10/655728710.db2.gz ZTHGFMLLBBOEJD-AWEZNQCLSA-N 2 1 378.314 2.995 20 0 GFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401246 655728711 /nfs/dbraw/zinc/72/87/11/655728711.db2.gz ZTHGFMLLBBOEJD-AWEZNQCLSA-N 2 1 378.314 2.995 20 0 GFADMP C[N@@H+]1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000760500087 655982723 /nfs/dbraw/zinc/98/27/23/655982723.db2.gz QGBGZULXFZFGRG-QZTJIDSGSA-N 2 1 380.989 2.891 20 0 GFADMP C[N@H+]1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000760500087 655982726 /nfs/dbraw/zinc/98/27/26/655982726.db2.gz QGBGZULXFZFGRG-QZTJIDSGSA-N 2 1 380.989 2.891 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842676575 661348610 /nfs/dbraw/zinc/34/86/10/661348610.db2.gz AEINZULSZSOGSL-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Cl)c(N)c2Cl)CC1 ZINC000857440782 662081051 /nfs/dbraw/zinc/08/10/51/662081051.db2.gz CNPYXVWKVQOSTD-UHFFFAOYSA-N 2 1 380.279 2.975 20 0 GFADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Br)c(F)c2F)C1 ZINC000863465291 662333920 /nfs/dbraw/zinc/33/39/20/662333920.db2.gz AGSQMDXCEWJWCS-LBPRGKRZSA-N 2 1 392.244 2.835 20 0 GFADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Br)c(F)c2F)C1 ZINC000863465291 662333927 /nfs/dbraw/zinc/33/39/27/662333927.db2.gz AGSQMDXCEWJWCS-LBPRGKRZSA-N 2 1 392.244 2.835 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910272 662707648 /nfs/dbraw/zinc/70/76/48/662707648.db2.gz NCKPZXDVVGCEGL-JLSDUUJJSA-N 2 1 392.341 2.924 20 0 GFADMP C[N@@H+]1CC[C@@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726521 662786891 /nfs/dbraw/zinc/78/68/91/662786891.db2.gz RPKKKAUWHDGOLN-CZUORRHYSA-N 2 1 376.298 2.748 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726521 662786894 /nfs/dbraw/zinc/78/68/94/662786894.db2.gz RPKKKAUWHDGOLN-CZUORRHYSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726521 662786896 /nfs/dbraw/zinc/78/68/96/662786896.db2.gz RPKKKAUWHDGOLN-CZUORRHYSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726521 662786898 /nfs/dbraw/zinc/78/68/98/662786898.db2.gz RPKKKAUWHDGOLN-CZUORRHYSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH2+][C@@H](C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329746 662873793 /nfs/dbraw/zinc/87/37/93/662873793.db2.gz XWCYFJIMPCVHKY-MLGOLLRUSA-N 2 1 386.323 2.529 20 0 GFADMP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3nc(Cl)cs3)cc2)CC1 ZINC000877591351 662879599 /nfs/dbraw/zinc/87/95/99/662879599.db2.gz CGQAOVRJVPWHAA-UHFFFAOYSA-N 2 1 378.929 2.784 20 0 GFADMP O[C@H](CN1CCC(c2[nH+]cc3n2CCCC3)CC1)c1cc(Br)no1 ZINC000878528256 662898117 /nfs/dbraw/zinc/89/81/17/662898117.db2.gz MCBOXERZBPQYIV-CQSZACIVSA-N 2 1 395.301 2.883 20 0 GFADMP COCC[N@H+](Cc1cn2cc(Br)ccc2n1)CC1CC[NH+](C)CC1 ZINC000879123980 662917882 /nfs/dbraw/zinc/91/78/82/662917882.db2.gz OEUKWRCOUJDNCH-UHFFFAOYSA-N 2 1 395.345 2.887 20 0 GFADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819683 663807704 /nfs/dbraw/zinc/80/77/04/663807704.db2.gz LTBIGYGCUWMILV-CQSZACIVSA-N 2 1 389.323 2.578 20 0 GFADMP O[C@@H](COc1c(Cl)cccc1Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819683 663807706 /nfs/dbraw/zinc/80/77/06/663807706.db2.gz LTBIGYGCUWMILV-CQSZACIVSA-N 2 1 389.323 2.578 20 0 GFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469022 663835385 /nfs/dbraw/zinc/83/53/85/663835385.db2.gz HZZCNUDPYJVFHK-ZJUUUORDSA-N 2 1 381.240 2.868 20 0 GFADMP C[C@@H]1C[C@@H](C[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469022 663835386 /nfs/dbraw/zinc/83/53/86/663835386.db2.gz HZZCNUDPYJVFHK-ZJUUUORDSA-N 2 1 381.240 2.868 20 0 GFADMP Brc1c[nH]c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)n1 ZINC000921723595 664564486 /nfs/dbraw/zinc/56/44/86/664564486.db2.gz BHVLZUFGBUOGKI-UHFFFAOYSA-N 2 1 379.302 2.937 20 0 GFADMP Cc1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388200 664598232 /nfs/dbraw/zinc/59/82/32/664598232.db2.gz CVVGPDPHFLZRIE-BDXSIMOUSA-N 2 1 382.346 2.722 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000923289630 664627612 /nfs/dbraw/zinc/62/76/12/664627612.db2.gz RFOZCLJGTJFJJG-OSMZGAPFSA-N 2 1 377.710 2.511 20 0 GFADMP CSCC1CC[NH+](CC(=O)NC[C@@H](C)[NH+]2CCC(CSC)CC2)CC1 ZINC000932586543 664829545 /nfs/dbraw/zinc/82/95/45/664829545.db2.gz ZKYAMJOWVYUXOE-MRXNPFEDSA-N 2 1 387.659 2.641 20 0 GFADMP CCOC(=O)c1cnc(Cl)cc1-n1nc(C[N@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685053 719603460 /nfs/dbraw/zinc/60/34/60/719603460.db2.gz QLJJIZQARLGPGQ-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CCOC(=O)c1cnc(Cl)cc1-n1nc(C[N@@H+](C)C(C)C)c2c1C[NH2+]CC2 ZINC001164685053 719603463 /nfs/dbraw/zinc/60/34/63/719603463.db2.gz QLJJIZQARLGPGQ-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccc(F)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679758 719643217 /nfs/dbraw/zinc/64/32/17/719643217.db2.gz MAYMDCVOGSINLY-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccc(F)cc3)nn2)c2c1CC[NH2+]C2 ZINC001164679758 719643224 /nfs/dbraw/zinc/64/32/24/719643224.db2.gz MAYMDCVOGSINLY-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP Cc1[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740514 720843156 /nfs/dbraw/zinc/84/31/56/720843156.db2.gz CFIGPSDSGOCRPY-BBTUJRGHSA-N 2 1 391.523 2.842 20 0 GFADMP c1cncc(C[N@H+]2CCO[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164985509 722130543 /nfs/dbraw/zinc/13/05/43/722130543.db2.gz ZRJXBKIRFQOACY-UNMCSNQZSA-N 2 1 393.535 2.804 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788976 553159418 /nfs/dbraw/zinc/15/94/18/553159418.db2.gz PYBLBOKPDCDZPJ-KBXCAEBGSA-N 2 1 382.346 2.860 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](O)c2ccccc2Br)CC1 ZINC000295248429 563238421 /nfs/dbraw/zinc/23/84/21/563238421.db2.gz FMBKTMYELCKPRS-LJQANCHMSA-N 2 1 398.389 2.830 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491681 563279116 /nfs/dbraw/zinc/27/91/16/563279116.db2.gz UPSDBVKSSPDAFM-QWHCGFSZSA-N 2 1 377.286 2.886 20 0 GFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422947562 563351606 /nfs/dbraw/zinc/35/16/06/563351606.db2.gz YKVKZMSHXRZLSK-YXJHDRRASA-N 2 1 393.325 2.737 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165762 563358012 /nfs/dbraw/zinc/35/80/12/563358012.db2.gz UVHDXTKIMWSKIM-UKPHBRMFSA-N 2 1 385.346 2.729 20 0 GFADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430546556 563545355 /nfs/dbraw/zinc/54/53/55/563545355.db2.gz CZZJBLPFKDESPF-CYBMUJFWSA-N 2 1 384.318 2.606 20 0 GFADMP C[C@H](c1ccccc1Br)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604233 563546486 /nfs/dbraw/zinc/54/64/86/563546486.db2.gz PTDLJVUABONWLY-HUUCEWRRSA-N 2 1 380.330 2.654 20 0 GFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000432370923 563582998 /nfs/dbraw/zinc/58/29/98/563582998.db2.gz WMROSSJXMWIDGO-ZDUSSCGKSA-N 2 1 385.302 2.768 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000432370923 563583001 /nfs/dbraw/zinc/58/30/01/563583001.db2.gz WMROSSJXMWIDGO-ZDUSSCGKSA-N 2 1 385.302 2.768 20 0 GFADMP CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435622438 563654912 /nfs/dbraw/zinc/65/49/12/563654912.db2.gz DDTAVWHXSSUGHX-AWEZNQCLSA-N 2 1 388.375 2.933 20 0 GFADMP CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435622438 563654914 /nfs/dbraw/zinc/65/49/14/563654914.db2.gz DDTAVWHXSSUGHX-AWEZNQCLSA-N 2 1 388.375 2.933 20 0 GFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000439438588 563724336 /nfs/dbraw/zinc/72/43/36/563724336.db2.gz KNCBMCXFJBNYQJ-DAXOMENPSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000439438588 563724338 /nfs/dbraw/zinc/72/43/38/563724338.db2.gz KNCBMCXFJBNYQJ-DAXOMENPSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438588 563724340 /nfs/dbraw/zinc/72/43/40/563724340.db2.gz KNCBMCXFJBNYQJ-DAXOMENPSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438588 563724342 /nfs/dbraw/zinc/72/43/42/563724342.db2.gz KNCBMCXFJBNYQJ-DAXOMENPSA-N 2 1 389.309 2.742 20 0 GFADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444050 563725660 /nfs/dbraw/zinc/72/56/60/563725660.db2.gz BMFLSDIYQWAJFP-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444050 563725663 /nfs/dbraw/zinc/72/56/63/563725663.db2.gz BMFLSDIYQWAJFP-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444050 563725665 /nfs/dbraw/zinc/72/56/65/563725665.db2.gz BMFLSDIYQWAJFP-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444050 563725666 /nfs/dbraw/zinc/72/56/66/563725666.db2.gz BMFLSDIYQWAJFP-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753345 563751788 /nfs/dbraw/zinc/75/17/88/563751788.db2.gz MAIIGZZKJMSBHZ-GUYCJALGSA-N 2 1 398.320 2.922 20 0 GFADMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939009 563754201 /nfs/dbraw/zinc/75/42/01/563754201.db2.gz FXOOJTILWLMGOU-DYVFJYSZSA-N 2 1 384.318 2.524 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292232172 563779334 /nfs/dbraw/zinc/77/93/34/563779334.db2.gz VXRJWMBTBKMAAC-DNVCBOLYSA-N 2 1 394.357 2.824 20 0 GFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960418 564178317 /nfs/dbraw/zinc/17/83/17/564178317.db2.gz VDNXFQRBFKBZPH-PBHICJAKSA-N 2 1 382.346 2.716 20 0 GFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000537960419 564178386 /nfs/dbraw/zinc/17/83/86/564178386.db2.gz VDNXFQRBFKBZPH-RHSMWYFYSA-N 2 1 382.346 2.716 20 0 GFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000566245429 564318763 /nfs/dbraw/zinc/31/87/63/564318763.db2.gz RSHNFWPTMGDUDN-KSZLIROESA-N 2 1 391.309 2.793 20 0 GFADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000479295877 564435496 /nfs/dbraw/zinc/43/54/96/564435496.db2.gz XUGGWEGEPSCDKG-HOCLYGCPSA-N 2 1 382.346 2.557 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2cccc(Br)c2)C1 ZINC000517733086 564541134 /nfs/dbraw/zinc/54/11/34/564541134.db2.gz WVBYCYJNEMHOJY-WBVHZDCISA-N 2 1 385.346 2.899 20 0 GFADMP C[C@H]1CC[N@@H+](CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000571819108 564567973 /nfs/dbraw/zinc/56/79/73/564567973.db2.gz PEMTXDABFKRAKO-HNNXBMFYSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000571819108 564567980 /nfs/dbraw/zinc/56/79/80/564567980.db2.gz PEMTXDABFKRAKO-HNNXBMFYSA-N 2 1 394.357 2.872 20 0 GFADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000572459893 564595068 /nfs/dbraw/zinc/59/50/68/564595068.db2.gz WILDPJWZMULLPH-HNNXBMFYSA-N 2 1 394.317 2.641 20 0 GFADMP CC[C@H]1CN(C)CCN1C(=O)NCc1cn2cc(Br)cc(C)c2n1 ZINC000572459893 564595072 /nfs/dbraw/zinc/59/50/72/564595072.db2.gz WILDPJWZMULLPH-HNNXBMFYSA-N 2 1 394.317 2.641 20 0 GFADMP COCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000551424033 564649693 /nfs/dbraw/zinc/64/96/93/564649693.db2.gz UJCXVWMQOKEQCX-KRWDZBQOSA-N 2 1 388.339 2.825 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816216 564655017 /nfs/dbraw/zinc/65/50/17/564655017.db2.gz YWCWBYCUTYYMKA-GOEBONIOSA-N 2 1 399.329 2.882 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1O ZINC000491217757 564788898 /nfs/dbraw/zinc/78/88/98/564788898.db2.gz SCNFLABAWHBUIM-UHFFFAOYSA-N 2 1 387.318 2.706 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000556076281 564812147 /nfs/dbraw/zinc/81/21/47/564812147.db2.gz LWZQTFAFDWHKHQ-YPMHNXCESA-N 2 1 386.359 2.675 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000556076281 564812150 /nfs/dbraw/zinc/81/21/50/564812150.db2.gz LWZQTFAFDWHKHQ-YPMHNXCESA-N 2 1 386.359 2.675 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1SCCc2sccc21 ZINC000463627262 564885059 /nfs/dbraw/zinc/88/50/59/564885059.db2.gz JGDAMDVTAQSPNH-QAPCUYQASA-N 2 1 381.611 2.953 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001849 565034937 /nfs/dbraw/zinc/03/49/37/565034937.db2.gz DTKZTYGHOWEVLP-DOTOQJQBSA-N 2 1 394.357 2.696 20 0 GFADMP COc1cc(Cl)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000470013784 565035777 /nfs/dbraw/zinc/03/57/77/565035777.db2.gz QNHAQUYPILVRCJ-CYBMUJFWSA-N 2 1 386.323 2.646 20 0 GFADMP COc1cc(Cl)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000470013784 565035780 /nfs/dbraw/zinc/03/57/80/565035780.db2.gz QNHAQUYPILVRCJ-CYBMUJFWSA-N 2 1 386.323 2.646 20 0 GFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000660036762 565242270 /nfs/dbraw/zinc/24/22/70/565242270.db2.gz NXNFPCKZNZBXFT-QGZVFWFLSA-N 2 1 385.346 2.746 20 0 GFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000660036762 565242275 /nfs/dbraw/zinc/24/22/75/565242275.db2.gz NXNFPCKZNZBXFT-QGZVFWFLSA-N 2 1 385.346 2.746 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662337733 565361417 /nfs/dbraw/zinc/36/14/17/565361417.db2.gz DXGJRFLSOSLNBM-GFCCVEGCSA-N 2 1 384.343 2.718 20 0 GFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403446 565365874 /nfs/dbraw/zinc/36/58/74/565365874.db2.gz MCRSTTYAEQQYAO-GHMZBOCLSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403446 565365877 /nfs/dbraw/zinc/36/58/77/565365877.db2.gz MCRSTTYAEQQYAO-GHMZBOCLSA-N 2 1 386.359 2.964 20 0 GFADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662485576 565370861 /nfs/dbraw/zinc/37/08/61/565370861.db2.gz QLKQSRLDULROAW-LLVKDONJSA-N 2 1 386.359 2.918 20 0 GFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662485576 565370868 /nfs/dbraw/zinc/37/08/68/565370868.db2.gz QLKQSRLDULROAW-LLVKDONJSA-N 2 1 386.359 2.918 20 0 GFADMP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477970 565371350 /nfs/dbraw/zinc/37/13/50/565371350.db2.gz KOHCBDPKHVJSRJ-RHSMWYFYSA-N 2 1 380.330 2.783 20 0 GFADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@@H]21 ZINC000662502157 565372907 /nfs/dbraw/zinc/37/29/07/565372907.db2.gz JSOGNIDOOQMVKG-PWSUYJOCSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@@H]21 ZINC000662502157 565372911 /nfs/dbraw/zinc/37/29/11/565372911.db2.gz JSOGNIDOOQMVKG-PWSUYJOCSA-N 2 1 384.343 2.670 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698239 565382007 /nfs/dbraw/zinc/38/20/07/565382007.db2.gz JWVWXRHINOQBKA-XJKSGUPXSA-N 2 1 375.460 2.618 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698230 565382500 /nfs/dbraw/zinc/38/25/00/565382500.db2.gz JWVWXRHINOQBKA-CJNGLKHVSA-N 2 1 375.460 2.618 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccccc1Br ZINC000665637269 565506416 /nfs/dbraw/zinc/50/64/16/565506416.db2.gz ZPILEALPXATBPY-HNNXBMFYSA-N 2 1 399.377 2.863 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccccc1Br ZINC000665637269 565506419 /nfs/dbraw/zinc/50/64/19/565506419.db2.gz ZPILEALPXATBPY-HNNXBMFYSA-N 2 1 399.377 2.863 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)C2([NH3+])Cc3ccccc3C2)cc1Br ZINC000648159729 565692770 /nfs/dbraw/zinc/69/27/70/565692770.db2.gz CNQMCXLOBGUQDM-UHFFFAOYSA-N 2 1 388.309 2.946 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706357 565832516 /nfs/dbraw/zinc/83/25/16/565832516.db2.gz JCFWHUYTAUWTAI-LXZKKBNFSA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706357 565832519 /nfs/dbraw/zinc/83/25/19/565832519.db2.gz JCFWHUYTAUWTAI-LXZKKBNFSA-N 2 1 393.329 2.815 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Br)c(Br)c1 ZINC000629654338 565865282 /nfs/dbraw/zinc/86/52/82/565865282.db2.gz PLNZYGYCNKSLOP-UHFFFAOYSA-N 2 1 380.124 2.879 20 0 GFADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[N@@H+](C)CCOCC[NH3+] ZINC000629665870 565866219 /nfs/dbraw/zinc/86/62/19/565866219.db2.gz QLDYFCJNDSMKPR-UHFFFAOYSA-N 2 1 381.318 2.659 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346631 565922846 /nfs/dbraw/zinc/92/28/46/565922846.db2.gz BVUMQKAWTZKKPD-DZKIICNBSA-N 2 1 385.961 2.578 20 0 GFADMP Brc1cnccc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000631056932 565936924 /nfs/dbraw/zinc/93/69/24/565936924.db2.gz PHAAMWWYZUZAGK-UHFFFAOYSA-N 2 1 390.329 2.541 20 0 GFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269861 598871444 /nfs/dbraw/zinc/87/14/44/598871444.db2.gz YITZWCYYIRQVAS-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269861 598871446 /nfs/dbraw/zinc/87/14/46/598871446.db2.gz YITZWCYYIRQVAS-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269861 598871447 /nfs/dbraw/zinc/87/14/47/598871447.db2.gz YITZWCYYIRQVAS-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269861 598871448 /nfs/dbraw/zinc/87/14/48/598871448.db2.gz YITZWCYYIRQVAS-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)CC1 ZINC000736453982 598899034 /nfs/dbraw/zinc/89/90/34/598899034.db2.gz VRVILBDKUHMGDF-UHFFFAOYSA-N 2 1 399.543 2.639 20 0 GFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000735857779 599484006 /nfs/dbraw/zinc/48/40/06/599484006.db2.gz ZBCBXNIKYQXCID-UHFFFAOYSA-N 2 1 390.495 2.644 20 0 GFADMP c1sc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1-c1nn[nH]n1 ZINC000826521733 608135835 /nfs/dbraw/zinc/13/58/35/608135835.db2.gz XATKJRQNQINBET-IPELMVKDSA-N 2 1 380.521 2.928 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000824893852 608282781 /nfs/dbraw/zinc/28/27/81/608282781.db2.gz VSIHSZMDGBLCIZ-XLIONFOSSA-N 2 1 392.507 2.888 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000824893852 608282782 /nfs/dbraw/zinc/28/27/82/608282782.db2.gz VSIHSZMDGBLCIZ-XLIONFOSSA-N 2 1 392.507 2.888 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@H]3C[N@H+]4CCC[C@H]4CO3)c2cc1Br ZINC000819910875 660274380 /nfs/dbraw/zinc/27/43/80/660274380.db2.gz BVGUGZRWAREVME-STQMWFEESA-N 2 1 392.297 2.703 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@H]4CO3)c2cc1Br ZINC000819910873 660274492 /nfs/dbraw/zinc/27/44/92/660274492.db2.gz BVGUGZRWAREVME-QWHCGFSZSA-N 2 1 392.297 2.703 20 0 GFADMP Brc1ccc2nc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cn2c1 ZINC000051959998 654731060 /nfs/dbraw/zinc/73/10/60/654731060.db2.gz NJCGXKYUAQLUHN-UHFFFAOYSA-N 2 1 393.329 2.641 20 0 GFADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127072053 654824024 /nfs/dbraw/zinc/82/40/24/654824024.db2.gz JXDNFXDGDNROFQ-HOTGVXAUSA-N 2 1 385.599 2.538 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3cc(Br)ccc32)C1 ZINC000127974585 654839211 /nfs/dbraw/zinc/83/92/11/654839211.db2.gz KTRFCJIYFJXUCE-YOEHRIQHSA-N 2 1 380.330 2.613 20 0 GFADMP Cc1cccc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)[nH+]1 ZINC000128155276 654841963 /nfs/dbraw/zinc/84/19/63/654841963.db2.gz OVHPTTYOQJWSSF-CQSZACIVSA-N 2 1 378.318 2.996 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](O)c2cccc(Br)c2)CC1 ZINC000839639422 661097818 /nfs/dbraw/zinc/09/78/18/661097818.db2.gz JCDCXQXQIFHFAV-IBGZPJMESA-N 2 1 398.389 2.830 20 0 GFADMP C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000120477278 655336816 /nfs/dbraw/zinc/33/68/16/655336816.db2.gz BHODSZNRCCGYOK-IBGZPJMESA-N 2 1 394.357 2.919 20 0 GFADMP C[N@H+]1CCC[C@H]2CN(Cn3nc(Br)c(=O)c4ccccc43)CC[C@H]21 ZINC000245749319 655428539 /nfs/dbraw/zinc/42/85/39/655428539.db2.gz XEJLJECEGUYMRL-DZGCQCFKSA-N 2 1 391.313 2.533 20 0 GFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401247 655728804 /nfs/dbraw/zinc/72/88/04/655728804.db2.gz ZTHGFMLLBBOEJD-CQSZACIVSA-N 2 1 378.314 2.995 20 0 GFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401247 655728807 /nfs/dbraw/zinc/72/88/07/655728807.db2.gz ZTHGFMLLBBOEJD-CQSZACIVSA-N 2 1 378.314 2.995 20 0 GFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401247 655728808 /nfs/dbraw/zinc/72/88/08/655728808.db2.gz ZTHGFMLLBBOEJD-CQSZACIVSA-N 2 1 378.314 2.995 20 0 GFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cn2ccc(=O)c3cccc(Br)c32)C1 ZINC000743401247 655728810 /nfs/dbraw/zinc/72/88/10/655728810.db2.gz ZTHGFMLLBBOEJD-CQSZACIVSA-N 2 1 378.314 2.995 20 0 GFADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(F)ccc(Br)c2F)C1 ZINC000797846350 659059723 /nfs/dbraw/zinc/05/97/23/659059723.db2.gz XIROBVANIVPCQD-CYBMUJFWSA-N 2 1 392.244 2.835 20 0 GFADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2c(F)ccc(Br)c2F)C1 ZINC000797846350 659059732 /nfs/dbraw/zinc/05/97/32/659059732.db2.gz XIROBVANIVPCQD-CYBMUJFWSA-N 2 1 392.244 2.835 20 0 GFADMP O[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccc(Br)cc1 ZINC000903776929 663806790 /nfs/dbraw/zinc/80/67/90/663806790.db2.gz YPTHJRMGYQJYRH-KZNAEPCWSA-N 2 1 395.341 2.716 20 0 GFADMP O[C@@H]1CC[N@@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1c1ccc(Br)cc1 ZINC000903776929 663806791 /nfs/dbraw/zinc/80/67/91/663806791.db2.gz YPTHJRMGYQJYRH-KZNAEPCWSA-N 2 1 395.341 2.716 20 0 GFADMP Fc1cc(Br)cc(OCC[N@@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818022 663807495 /nfs/dbraw/zinc/80/74/95/663807495.db2.gz UECAGNLXYYQPFU-UHFFFAOYSA-N 2 1 387.293 2.812 20 0 GFADMP Fc1cc(Br)cc(OCC[N@H+]2CC[NH2+]CCC23CCOCC3)c1 ZINC000903818022 663807496 /nfs/dbraw/zinc/80/74/96/663807496.db2.gz UECAGNLXYYQPFU-UHFFFAOYSA-N 2 1 387.293 2.812 20 0 GFADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccc(Br)c(F)c2)cnn1C ZINC000903914363 663811141 /nfs/dbraw/zinc/81/11/41/663811141.db2.gz TWMVACBJQGKXFP-CQSZACIVSA-N 2 1 383.309 2.880 20 0 GFADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000903955259 663813592 /nfs/dbraw/zinc/81/35/92/663813592.db2.gz NZIZBUCNKOTRBD-LBPRGKRZSA-N 2 1 391.256 2.945 20 0 GFADMP COc1sc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1Br ZINC000904392613 663832344 /nfs/dbraw/zinc/83/23/44/663832344.db2.gz VMENXARNNMODDG-NSHDSACASA-N 2 1 375.332 2.849 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)C1 ZINC000923389749 664629405 /nfs/dbraw/zinc/62/94/05/664629405.db2.gz WEPKYGMBWTXNPI-DDBAPUKQSA-N 2 1 383.330 2.701 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000923427690 664630224 /nfs/dbraw/zinc/63/02/24/664630224.db2.gz UWZQPJCYYBUZMY-ADEWGFFLSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000923427690 664630226 /nfs/dbraw/zinc/63/02/26/664630226.db2.gz UWZQPJCYYBUZMY-ADEWGFFLSA-N 2 1 387.229 2.802 20 0 GFADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(OC5CC[NH2+]CC5)nn4)[C@H]3C2)cc1 ZINC001164629009 719099017 /nfs/dbraw/zinc/09/90/17/719099017.db2.gz PUEHUSXUQKTNHH-CTNGQTDRSA-N 2 1 393.535 2.708 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(N3CCCCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679637 719644904 /nfs/dbraw/zinc/64/49/04/719644904.db2.gz JLMLDCPWGLTWSP-UHFFFAOYSA-N 2 1 383.544 2.529 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(N3CCCCCC3)n2)c2c1CC[NH2+]C2 ZINC001164679637 719644911 /nfs/dbraw/zinc/64/49/11/719644911.db2.gz JLMLDCPWGLTWSP-UHFFFAOYSA-N 2 1 383.544 2.529 20 0 GFADMP c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@H+]3C2)c1 ZINC001164871003 721138894 /nfs/dbraw/zinc/13/88/94/721138894.db2.gz CVYPUTMJCOAHRT-VXKWHMMOSA-N 2 1 393.535 2.552 20 0 GFADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(OCC3CC[NH2+]CC3)nn2)c1 ZINC001164937703 721914439 /nfs/dbraw/zinc/91/44/39/721914439.db2.gz PDHUQCZHARMEBW-HDICACEKSA-N 2 1 399.564 2.770 20 0 GFADMP Fc1cccc(C[N@H+]2CC[C@]23CCCN(c2ccc(N4CC[NH2+]CC4)cn2)C3)c1 ZINC001164997176 722205768 /nfs/dbraw/zinc/20/57/68/722205768.db2.gz WRIAMQYMNGHMKW-QHCPKHFHSA-N 2 1 395.526 2.875 20 0 GFADMP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC1 ZINC000162668091 551611666 /nfs/dbraw/zinc/61/16/66/551611666.db2.gz IWRIULIDNBULHS-UHFFFAOYSA-N 2 1 394.357 2.872 20 0 GFADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)CCc1cnc[nH]1 ZINC000192972274 552978962 /nfs/dbraw/zinc/97/89/62/552978962.db2.gz CPKBLJLIHAODKR-UHFFFAOYSA-N 2 1 379.302 2.695 20 0 GFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249489858 553143764 /nfs/dbraw/zinc/14/37/64/553143764.db2.gz VCNSHXPPZJCDJH-GOEBONIOSA-N 2 1 387.977 2.744 20 0 GFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249489858 553143767 /nfs/dbraw/zinc/14/37/67/553143767.db2.gz VCNSHXPPZJCDJH-GOEBONIOSA-N 2 1 387.977 2.744 20 0 GFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885033 553161676 /nfs/dbraw/zinc/16/16/76/553161676.db2.gz ZPWKHAQOBXVNLR-SJLPKXTDSA-N 2 1 382.346 2.956 20 0 GFADMP NC(=O)[C@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000278135901 563242292 /nfs/dbraw/zinc/24/22/92/563242292.db2.gz VSFWUGVSHIIFMH-MRXNPFEDSA-N 2 1 384.293 2.579 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370573190 563248864 /nfs/dbraw/zinc/24/88/64/563248864.db2.gz AJNDGYMTLKMKAL-MRXNPFEDSA-N 2 1 385.599 2.755 20 0 GFADMP [NH3+]CC1(O)CC[NH+](Cc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC000420410273 563263077 /nfs/dbraw/zinc/26/30/77/563263077.db2.gz ZWKYOIGPEJPJBT-UHFFFAOYSA-N 2 1 382.327 2.858 20 0 GFADMP C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)c1c[nH+]ccc1N ZINC000422879195 563350115 /nfs/dbraw/zinc/35/01/15/563350115.db2.gz LQZMHGYIBLWDRI-LBPRGKRZSA-N 2 1 377.286 2.727 20 0 GFADMP O=S1(=O)CC[C@H]([NH2+]C2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000373796381 563351278 /nfs/dbraw/zinc/35/12/78/563351278.db2.gz UJCCGVSPMSQDPG-HNNXBMFYSA-N 2 1 379.913 2.634 20 0 GFADMP Brc1cccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489201 563361239 /nfs/dbraw/zinc/36/12/39/563361239.db2.gz FOQRAWICUCPNNE-MSOLQXFVSA-N 2 1 383.330 2.885 20 0 GFADMP COc1cc2[nH+]ccc(N3C[C@H](C)[N@@H+](CCO)C[C@H]3C)c2cc1Br ZINC000425265443 563415824 /nfs/dbraw/zinc/41/58/24/563415824.db2.gz DPYOYGNRVBVIMZ-QWHCGFSZSA-N 2 1 394.313 2.897 20 0 GFADMP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000376388207 563440354 /nfs/dbraw/zinc/44/03/54/563440354.db2.gz SFQAWQDNAKAEBD-UHFFFAOYSA-N 2 1 381.318 2.590 20 0 GFADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000376388207 563440355 /nfs/dbraw/zinc/44/03/55/563440355.db2.gz SFQAWQDNAKAEBD-UHFFFAOYSA-N 2 1 381.318 2.590 20 0 GFADMP C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000404268357 563537068 /nfs/dbraw/zinc/53/70/68/563537068.db2.gz IXSHPPKECIQOEL-WMLDXEAASA-N 2 1 382.346 2.857 20 0 GFADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)[C@@H]1CC[NH3+] ZINC000404268357 563537071 /nfs/dbraw/zinc/53/70/71/563537071.db2.gz IXSHPPKECIQOEL-WMLDXEAASA-N 2 1 382.346 2.857 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ncc(I)s1 ZINC000286361055 563558039 /nfs/dbraw/zinc/55/80/39/563558039.db2.gz FXWXITBROOASPB-UHFFFAOYSA-N 2 1 376.267 2.823 20 0 GFADMP Cc1ccnc(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1Br ZINC000286421411 563559301 /nfs/dbraw/zinc/55/93/01/563559301.db2.gz PUHXSKKOZGZDQF-AGUYFDCRSA-N 2 1 381.318 2.648 20 0 GFADMP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413551556 563697343 /nfs/dbraw/zinc/69/73/43/563697343.db2.gz YBVWFGQQQJXNLP-AWEZNQCLSA-N 2 1 397.361 2.663 20 0 GFADMP C[C@H](C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739669 563751682 /nfs/dbraw/zinc/75/16/82/563751682.db2.gz JDDWAUFMPMFTNV-KGLIPLIRSA-N 2 1 388.339 2.890 20 0 GFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(I)c1OC ZINC000414948969 563755607 /nfs/dbraw/zinc/75/56/07/563755607.db2.gz MYMRJWVMHZGHBV-ZYHUDNBSSA-N 2 1 390.265 2.539 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844657 563880074 /nfs/dbraw/zinc/88/00/74/563880074.db2.gz HVUCOXCDRDCABS-DOMZBBRYSA-N 2 1 377.286 2.886 20 0 GFADMP C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418168893 563900318 /nfs/dbraw/zinc/90/03/18/563900318.db2.gz MMFYRZVJYKYMKQ-BXUZGUMPSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@H](C[NH3+])NC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418168893 563900319 /nfs/dbraw/zinc/90/03/19/563900319.db2.gz MMFYRZVJYKYMKQ-BXUZGUMPSA-N 2 1 380.842 2.912 20 0 GFADMP C[N@H+](CCC(F)(F)F)[C@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418168467 563900366 /nfs/dbraw/zinc/90/03/66/563900366.db2.gz MARGMIIILHFELL-CQSZACIVSA-N 2 1 380.842 2.913 20 0 GFADMP C[N@@H+](CCC(F)(F)F)[C@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418168467 563900368 /nfs/dbraw/zinc/90/03/68/563900368.db2.gz MARGMIIILHFELL-CQSZACIVSA-N 2 1 380.842 2.913 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510656123 564342378 /nfs/dbraw/zinc/34/23/78/564342378.db2.gz KPYMZLZDVQYCNK-WMLDXEAASA-N 2 1 380.330 2.613 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc(I)cc2)[C@@H](C)C1 ZINC000511053826 564354587 /nfs/dbraw/zinc/35/45/87/564354587.db2.gz ZNJRDXJDAWZIQQ-BBRMVZONSA-N 2 1 388.293 2.990 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H](CO)Cc2cccc(Br)c2)s1 ZINC000511783415 564382091 /nfs/dbraw/zinc/38/20/91/564382091.db2.gz CLNLOYXATXITEY-CQSZACIVSA-N 2 1 398.370 2.908 20 0 GFADMP N[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647989 564507969 /nfs/dbraw/zinc/50/79/69/564507969.db2.gz HBYPZRLHDNHKBQ-DOTOQJQBSA-N 2 1 378.929 2.967 20 0 GFADMP N[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647989 564507972 /nfs/dbraw/zinc/50/79/72/564507972.db2.gz HBYPZRLHDNHKBQ-DOTOQJQBSA-N 2 1 378.929 2.967 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(Br)cn2)c2cccs2)CC1 ZINC000524339653 564680717 /nfs/dbraw/zinc/68/07/17/564680717.db2.gz CMOWCAZSDWQZPD-MRXNPFEDSA-N 2 1 395.370 2.984 20 0 GFADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000575326789 564696930 /nfs/dbraw/zinc/69/69/30/564696930.db2.gz FTVBIABGWQUJHY-MRXNPFEDSA-N 2 1 387.362 2.607 20 0 GFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000575326789 564696933 /nfs/dbraw/zinc/69/69/33/564696933.db2.gz FTVBIABGWQUJHY-MRXNPFEDSA-N 2 1 387.362 2.607 20 0 GFADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000493977358 564814985 /nfs/dbraw/zinc/81/49/85/564814985.db2.gz NMHOGJAMTCOUSC-DOTOQJQBSA-N 2 1 394.357 2.922 20 0 GFADMP Cc1cc([C@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000582546920 564850940 /nfs/dbraw/zinc/85/09/40/564850940.db2.gz SXATWVKOTBQQSX-QGZVFWFLSA-N 2 1 380.330 2.716 20 0 GFADMP Brc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000530239649 564872844 /nfs/dbraw/zinc/87/28/44/564872844.db2.gz HKJQFFFIRJFDKH-OAHLLOKOSA-N 2 1 397.313 2.768 20 0 GFADMP Cc1cc(Br)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)s1 ZINC000617502467 565242775 /nfs/dbraw/zinc/24/27/75/565242775.db2.gz QCPMAGVLCPOQTC-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP Cc1cc(Br)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)s1 ZINC000617502467 565242781 /nfs/dbraw/zinc/24/27/81/565242781.db2.gz QCPMAGVLCPOQTC-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1c(Cl)cccc1Cl ZINC000662154788 565352486 /nfs/dbraw/zinc/35/24/86/565352486.db2.gz ZJNNMAMJWXXVQM-CQSZACIVSA-N 2 1 386.323 2.853 20 0 GFADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1c(Cl)cccc1Cl ZINC000662154788 565352489 /nfs/dbraw/zinc/35/24/89/565352489.db2.gz ZJNNMAMJWXXVQM-CQSZACIVSA-N 2 1 386.323 2.853 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662336669 565361917 /nfs/dbraw/zinc/36/19/17/565361917.db2.gz HKFVBOQWNGOPJK-JQWIXIFHSA-N 2 1 384.343 2.718 20 0 GFADMP C[NH2+][C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1Cl ZINC000662398652 565366794 /nfs/dbraw/zinc/36/67/94/565366794.db2.gz ZVSMHUVYIHSCAD-KRWDZBQOSA-N 2 1 381.307 2.945 20 0 GFADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662487069 565371495 /nfs/dbraw/zinc/37/14/95/565371495.db2.gz SALCVWFGSUKDPV-RHSMWYFYSA-N 2 1 380.330 2.639 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662487069 565371498 /nfs/dbraw/zinc/37/14/98/565371498.db2.gz SALCVWFGSUKDPV-RHSMWYFYSA-N 2 1 380.330 2.639 20 0 GFADMP [NH3+][C@@H](C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1Br ZINC000662577659 565378264 /nfs/dbraw/zinc/37/82/64/565378264.db2.gz BVGLCDJIXCCGOQ-JNOJRNRHSA-N 2 1 392.341 2.719 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662589790 565378379 /nfs/dbraw/zinc/37/83/79/565378379.db2.gz FCACXYPBAGGOEL-SNVBAGLBSA-N 2 1 386.359 2.964 20 0 GFADMP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662589790 565378382 /nfs/dbraw/zinc/37/83/82/565378382.db2.gz FCACXYPBAGGOEL-SNVBAGLBSA-N 2 1 386.359 2.964 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662589790 565378385 /nfs/dbraw/zinc/37/83/85/565378385.db2.gz FCACXYPBAGGOEL-SNVBAGLBSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000662834763 565387489 /nfs/dbraw/zinc/38/74/89/565387489.db2.gz JZHCRLUQAOLLMB-JFIYKMOQSA-N 2 1 380.330 2.756 20 0 GFADMP [NH3+][C@@H](C(=O)NCC1CC[NH+](CC2CC2)CC1)c1ccccc1Br ZINC000662980361 565391134 /nfs/dbraw/zinc/39/11/34/565391134.db2.gz ONSHBNBSMCJXLS-QGZVFWFLSA-N 2 1 380.330 2.687 20 0 GFADMP Cc1c[nH+]cn1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000624762480 565574712 /nfs/dbraw/zinc/57/47/12/565574712.db2.gz IDVNVIQOWMLPQT-UHFFFAOYSA-N 2 1 379.302 2.544 20 0 GFADMP C[N@H+]1CC[C@@]2(CCN([C@@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446879 565631308 /nfs/dbraw/zinc/63/13/08/565631308.db2.gz WHUOKSOEGDEOGB-SJLPKXTDSA-N 2 1 378.314 2.730 20 0 GFADMP Cc1cc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279172 565782064 /nfs/dbraw/zinc/78/20/64/565782064.db2.gz YEFKCINRTRMGQS-KRWDZBQOSA-N 2 1 381.362 2.753 20 0 GFADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279172 565782065 /nfs/dbraw/zinc/78/20/65/565782065.db2.gz YEFKCINRTRMGQS-KRWDZBQOSA-N 2 1 381.362 2.753 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708169 565833325 /nfs/dbraw/zinc/83/33/25/565833325.db2.gz UQUJKPWKQURIMA-NOLJZWGESA-N 2 1 399.329 2.882 20 0 GFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000652352604 565922660 /nfs/dbraw/zinc/92/26/60/565922660.db2.gz DHWORYWZTTYGHA-XCRHUMRWSA-N 2 1 378.314 2.615 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722655 566173439 /nfs/dbraw/zinc/17/34/39/566173439.db2.gz SFKHDTSWLAXMBF-DLBZAZTESA-N 2 1 389.323 2.576 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266827 598871368 /nfs/dbraw/zinc/87/13/68/598871368.db2.gz KMSQACHZGSUNFG-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266827 598871370 /nfs/dbraw/zinc/87/13/70/598871370.db2.gz KMSQACHZGSUNFG-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266827 598871371 /nfs/dbraw/zinc/87/13/71/598871371.db2.gz KMSQACHZGSUNFG-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736266827 598871373 /nfs/dbraw/zinc/87/13/73/598871373.db2.gz KMSQACHZGSUNFG-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1 ZINC000825981744 607494346 /nfs/dbraw/zinc/49/43/46/607494346.db2.gz XLJFRYWGMRRFHM-UHFFFAOYSA-N 2 1 377.496 2.606 20 0 GFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985573 608281446 /nfs/dbraw/zinc/28/14/46/608281446.db2.gz XNFWVCPFPZXCMN-LAUBAEHRSA-N 2 1 392.507 2.746 20 0 GFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985573 608281448 /nfs/dbraw/zinc/28/14/48/608281448.db2.gz XNFWVCPFPZXCMN-LAUBAEHRSA-N 2 1 392.507 2.746 20 0 GFADMP c1ccc(CC[NH+]2CCC([NH2+]CCOc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826521564 608282274 /nfs/dbraw/zinc/28/22/74/608282274.db2.gz QYWNDZPFZQNTNK-UHFFFAOYSA-N 2 1 392.507 2.542 20 0 GFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@H](C)O1 ZINC000824983725 608505397 /nfs/dbraw/zinc/50/53/97/608505397.db2.gz BZFUKCHUCXVYEL-GQIGUUNPSA-N 2 1 384.528 2.723 20 0 GFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625447 609407850 /nfs/dbraw/zinc/40/78/50/609407850.db2.gz IHPLJSWPZXKOKD-HRAATJIYSA-N 2 1 392.507 2.674 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063010 660245251 /nfs/dbraw/zinc/24/52/51/660245251.db2.gz VMXXXJUQZOQAEV-QAPCUYQASA-N 2 1 383.330 2.716 20 0 GFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(Br)n1 ZINC000822029867 660338871 /nfs/dbraw/zinc/33/88/71/660338871.db2.gz LZHCXBIUYURBBN-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(Br)n1 ZINC000822029867 660338873 /nfs/dbraw/zinc/33/88/73/660338873.db2.gz LZHCXBIUYURBBN-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc1Br ZINC000823287712 660367536 /nfs/dbraw/zinc/36/75/36/660367536.db2.gz QDFTXPREJNOMES-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc1Br ZINC000823287712 660367538 /nfs/dbraw/zinc/36/75/38/660367538.db2.gz QDFTXPREJNOMES-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Brc1cccc2c(CNC[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825560 660380968 /nfs/dbraw/zinc/38/09/68/660380968.db2.gz SVCDOZKQQMUJJY-HUUCEWRRSA-N 2 1 376.298 2.950 20 0 GFADMP Brc1cccc2c(CNC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)ccnc12 ZINC000823825560 660380970 /nfs/dbraw/zinc/38/09/70/660380970.db2.gz SVCDOZKQQMUJJY-HUUCEWRRSA-N 2 1 376.298 2.950 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000133894672 654976715 /nfs/dbraw/zinc/97/67/15/654976715.db2.gz FJHYBRKQSYULOE-SUMDDJOVSA-N 2 1 381.973 2.934 20 0 GFADMP C[N@@H+]1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000760500086 655982670 /nfs/dbraw/zinc/98/26/70/655982670.db2.gz QGBGZULXFZFGRG-MSOLQXFVSA-N 2 1 380.989 2.891 20 0 GFADMP C[N@H+]1CC[C@@H](NC(=S)NCC2CC[NH+](C)CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000760500086 655982671 /nfs/dbraw/zinc/98/26/71/655982671.db2.gz QGBGZULXFZFGRG-MSOLQXFVSA-N 2 1 380.989 2.891 20 0 GFADMP CCCCn1nc(C)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1Cl ZINC000841070765 661230824 /nfs/dbraw/zinc/23/08/24/661230824.db2.gz SKALVURCRSCQFW-CQSZACIVSA-N 2 1 381.874 2.571 20 0 GFADMP C[NH+](C)CCNC(=S)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000783752552 657258880 /nfs/dbraw/zinc/25/88/80/657258880.db2.gz XYSHDQHVJSQMRL-UHFFFAOYSA-N 2 1 389.396 2.984 20 0 GFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(Br)nn3C)CC2)oc1C ZINC000785471440 657366545 /nfs/dbraw/zinc/36/65/45/657366545.db2.gz WBHAWOOCDDHYQT-UHFFFAOYSA-N 2 1 396.333 2.789 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1cccc(Br)c1 ZINC000849098177 661691864 /nfs/dbraw/zinc/69/18/64/661691864.db2.gz FZQQOJDHJPVXSK-DZGCQCFKSA-N 2 1 383.334 2.815 20 0 GFADMP COC(=O)c1ccc(N2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)s1 ZINC000873212369 662803974 /nfs/dbraw/zinc/80/39/74/662803974.db2.gz ZSKDYOMNHNLTKJ-UHFFFAOYSA-N 2 1 377.535 2.564 20 0 GFADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Br ZINC000877041137 662870084 /nfs/dbraw/zinc/87/00/84/662870084.db2.gz IOYKKOJMUGUMTO-OAHLLOKOSA-N 2 1 399.329 2.562 20 0 GFADMP C[NH2+][C@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329745 662873781 /nfs/dbraw/zinc/87/37/81/662873781.db2.gz XWCYFJIMPCVHKY-LRDDRELGSA-N 2 1 386.323 2.529 20 0 GFADMP c1csc([C@@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957934 /nfs/dbraw/zinc/95/79/34/662957934.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 2 1 378.567 2.895 20 0 GFADMP c1csc([C@@H]2CC[N@@H+](CCOCC[NH+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957937 /nfs/dbraw/zinc/95/79/37/662957937.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 2 1 378.567 2.895 20 0 GFADMP c1csc([C@@H]2CC[N@H+](CCOCC[NH+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319225 662957940 /nfs/dbraw/zinc/95/79/40/662957940.db2.gz CZVYHLNBGNNMOO-IYBDPMFKSA-N 2 1 378.567 2.895 20 0 GFADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000892950237 663390707 /nfs/dbraw/zinc/39/07/07/663390707.db2.gz AUOFPRFGVCSFSN-KRWDZBQOSA-N 2 1 398.345 2.734 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3ncc(Br)n3C2)[C@@H](C)C1 ZINC000903477488 663785308 /nfs/dbraw/zinc/78/53/08/663785308.db2.gz CNKLEILWXUNLOB-JYJNAYRXSA-N 2 1 399.377 2.687 20 0 GFADMP C[C@@H]1C[N@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H]1CC[NH3+] ZINC000903499670 663785679 /nfs/dbraw/zinc/78/56/79/663785679.db2.gz LMUCZUVJNKUBOR-UKRRQHHQSA-N 2 1 379.551 2.630 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2csc(-c3ccc(S(C)(=O)=O)cc3)n2)C[C@H]1CC[NH3+] ZINC000903499670 663785681 /nfs/dbraw/zinc/78/56/81/663785681.db2.gz LMUCZUVJNKUBOR-UKRRQHHQSA-N 2 1 379.551 2.630 20 0 GFADMP C[N@@H+](CCc1ccc(Br)cc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903891048 663810315 /nfs/dbraw/zinc/81/03/15/663810315.db2.gz IQYRXJZRDVLADG-MRXNPFEDSA-N 2 1 378.318 2.640 20 0 GFADMP FC1(F)CC[NH2+]C[C@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000903954518 663813696 /nfs/dbraw/zinc/81/36/96/663813696.db2.gz DFAHMBIPMBNXDN-NSHDSACASA-N 2 1 377.229 2.555 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@@H]1C(C)C ZINC000922395153 664599390 /nfs/dbraw/zinc/59/93/90/664599390.db2.gz UJHGHYZWIVMYOW-BDXSIMOUSA-N 2 1 382.346 2.804 20 0 GFADMP O[C@H](C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)c1cccc(Br)c1 ZINC000923382240 664629308 /nfs/dbraw/zinc/62/93/08/664629308.db2.gz BMIRWSUGFJCWGZ-GOSISDBHSA-N 2 1 391.313 2.619 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2CSCC3)c2c1CC[NH2+]C2 ZINC001164684081 719607538 /nfs/dbraw/zinc/60/75/38/719607538.db2.gz MDGWJULXUKMMAT-UHFFFAOYSA-N 2 1 392.960 2.591 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2CSCC3)c2c1CC[NH2+]C2 ZINC001164684081 719607544 /nfs/dbraw/zinc/60/75/44/719607544.db2.gz MDGWJULXUKMMAT-UHFFFAOYSA-N 2 1 392.960 2.591 20 0 GFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725323 720472268 /nfs/dbraw/zinc/47/22/68/720472268.db2.gz JOYIALITIRMLHC-FGZHOGPDSA-N 2 1 393.535 2.803 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2ccc(OCC3CC[NH2+]CC3)cn2)c1 ZINC001164724400 720481189 /nfs/dbraw/zinc/48/11/89/720481189.db2.gz FYTIEVCJXAMKIY-FCHUYYIVSA-N 2 1 393.535 2.708 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@@H]3[N@@H+]2CC2CC2)n1 ZINC001164738007 720824167 /nfs/dbraw/zinc/82/41/67/720824167.db2.gz DIGPCEOZLWCVGH-ONTIZHBOSA-N 2 1 392.551 2.931 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164738007 720824168 /nfs/dbraw/zinc/82/41/68/720824168.db2.gz DIGPCEOZLWCVGH-ONTIZHBOSA-N 2 1 392.551 2.931 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)[C@@H]2C ZINC001164863582 720990468 /nfs/dbraw/zinc/99/04/68/720990468.db2.gz WVNWCTNZNYQMDJ-QGZVFWFLSA-N 3 1 397.571 2.627 20 0 GFADMP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)n1)[C@@H]2C ZINC001164863582 720990472 /nfs/dbraw/zinc/99/04/72/720990472.db2.gz WVNWCTNZNYQMDJ-QGZVFWFLSA-N 2 1 397.571 2.627 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCC([NH3+])CC3)n1)[C@@H]2C ZINC001164863582 720990475 /nfs/dbraw/zinc/99/04/75/720990475.db2.gz WVNWCTNZNYQMDJ-QGZVFWFLSA-N 2 1 397.571 2.627 20 0 GFADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873532 721158683 /nfs/dbraw/zinc/15/86/83/721158683.db2.gz INHIJPPKBYLYEU-VXKWHMMOSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873532 721158690 /nfs/dbraw/zinc/15/86/90/721158690.db2.gz INHIJPPKBYLYEU-VXKWHMMOSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873532 721158698 /nfs/dbraw/zinc/15/86/98/721158698.db2.gz INHIJPPKBYLYEU-VXKWHMMOSA-N 2 1 393.535 2.551 20 0 GFADMP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164903094 721560811 /nfs/dbraw/zinc/56/08/11/721560811.db2.gz AIECJTZBVNOACL-QUCCMNQESA-N 2 1 379.439 2.748 20 0 GFADMP FC1(F)CCN(c2ccc3c(n2)CC[NH2+]C3)C[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907978 721586820 /nfs/dbraw/zinc/58/68/20/721586820.db2.gz XQLVUNRSFYNWSE-NRFANRHFSA-N 2 1 399.489 2.860 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164980460 722124282 /nfs/dbraw/zinc/12/42/82/722124282.db2.gz RFBIYJFBUUSJHX-WIYYLYMNSA-N 2 1 377.492 2.994 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261670834 553155994 /nfs/dbraw/zinc/15/59/94/553155994.db2.gz LSGBDBWNLFMBMR-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)cc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261670834 553155996 /nfs/dbraw/zinc/15/59/96/553155996.db2.gz LSGBDBWNLFMBMR-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775758 553159283 /nfs/dbraw/zinc/15/92/83/553159283.db2.gz XKYIOGPPJDUPSV-AEFFLSMTSA-N 2 1 394.357 2.838 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491679 563279004 /nfs/dbraw/zinc/27/90/04/563279004.db2.gz UPSDBVKSSPDAFM-CHWSQXEVSA-N 2 1 377.286 2.886 20 0 GFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097957 563355500 /nfs/dbraw/zinc/35/55/00/563355500.db2.gz BTDDRUCGHMPYKV-OLZOCXBDSA-N 2 1 380.341 2.521 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423163414 563358039 /nfs/dbraw/zinc/35/80/39/563358039.db2.gz RDDSFOQHFQRKGR-CHWSQXEVSA-N 2 1 394.313 2.767 20 0 GFADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424297554 563376286 /nfs/dbraw/zinc/37/62/86/563376286.db2.gz SXCTWORADKZRNC-LBPRGKRZSA-N 2 1 384.293 2.991 20 0 GFADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(I)c1OC ZINC000424364671 563376542 /nfs/dbraw/zinc/37/65/42/563376542.db2.gz DWTXEOUJGMHYKS-CHWSQXEVSA-N 2 1 390.265 2.668 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)[C@@H](C)C3)c2cc1Br ZINC000425243789 563414188 /nfs/dbraw/zinc/41/41/88/563414188.db2.gz QTIQKFKKCZUMNX-LBPRGKRZSA-N 2 1 380.286 2.509 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435971 563506805 /nfs/dbraw/zinc/50/68/05/563506805.db2.gz WIWWIRACOMIPRH-DHSIGJKJSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435971 563506807 /nfs/dbraw/zinc/50/68/07/563506807.db2.gz WIWWIRACOMIPRH-DHSIGJKJSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430604234 563546797 /nfs/dbraw/zinc/54/67/97/563546797.db2.gz PTDLJVUABONWLY-LSDHHAIUSA-N 2 1 380.330 2.654 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000414798916 563752657 /nfs/dbraw/zinc/75/26/57/563752657.db2.gz COABXDYSCVVCEV-QGZVFWFLSA-N 2 1 380.330 2.689 20 0 GFADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759593 563752886 /nfs/dbraw/zinc/75/28/86/563752886.db2.gz FHUNRUYHZVZTGA-UONOGXRCSA-N 2 1 378.318 2.850 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccs1 ZINC000416017225 563802283 /nfs/dbraw/zinc/80/22/83/563802283.db2.gz XXDVFPUVLFZAHW-KWCYVHTRSA-N 2 1 378.464 2.710 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367221571 563836234 /nfs/dbraw/zinc/83/62/34/563836234.db2.gz NCTZRZKCEKQUJP-KRWDZBQOSA-N 2 1 396.373 2.928 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367221571 563836236 /nfs/dbraw/zinc/83/62/36/563836236.db2.gz NCTZRZKCEKQUJP-KRWDZBQOSA-N 2 1 396.373 2.928 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000472746126 564232961 /nfs/dbraw/zinc/23/29/61/564232961.db2.gz GLRSWNHLXNGRDC-KRWDZBQOSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2cccc(Br)c2)CC1 ZINC000472746126 564232963 /nfs/dbraw/zinc/23/29/63/564232963.db2.gz GLRSWNHLXNGRDC-KRWDZBQOSA-N 2 1 380.330 2.750 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473917419 564256079 /nfs/dbraw/zinc/25/60/79/564256079.db2.gz XODYOHMDPIBXNJ-CQSZACIVSA-N 2 1 394.006 2.747 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000566562199 564332491 /nfs/dbraw/zinc/33/24/91/564332491.db2.gz OKWKKVIJSBOONJ-BASLNEPJSA-N 2 1 378.314 2.614 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1O ZINC000567243054 564363174 /nfs/dbraw/zinc/36/31/74/564363174.db2.gz MQZNOEPHKWDYKT-WMLDXEAASA-N 2 1 399.329 2.882 20 0 GFADMP O=C(C[N@H+]1CCC[C@@]2(CCSC2)C1)N1CCN(Cc2cccs2)CC1 ZINC000451967282 564373077 /nfs/dbraw/zinc/37/30/77/564373077.db2.gz QPMAULBAOYLHPN-LJQANCHMSA-N 2 1 379.595 2.611 20 0 GFADMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000569095247 564449101 /nfs/dbraw/zinc/44/91/01/564449101.db2.gz OLODMGVCWKHSEO-QWQRMKEZSA-N 2 1 385.936 2.683 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCSCC(F)(F)F)CC2)CC1 ZINC000514796898 564458172 /nfs/dbraw/zinc/45/81/72/564458172.db2.gz NZWHLPKMFMHLHY-UHFFFAOYSA-N 2 1 381.508 2.594 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2csc(Br)c2)CC1 ZINC000516624365 564508358 /nfs/dbraw/zinc/50/83/58/564508358.db2.gz QAIKDWCBHLXBBM-UHFFFAOYSA-N 2 1 381.299 2.910 20 0 GFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692429 564517071 /nfs/dbraw/zinc/51/70/71/564517071.db2.gz GMKVIMGPGZAMHC-NVXWUHKLSA-N 2 1 397.313 2.896 20 0 GFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCn1cc(Br)cn1 ZINC000517263763 564530227 /nfs/dbraw/zinc/53/02/27/564530227.db2.gz XQPMGIWUGVVMGA-UHFFFAOYSA-N 2 1 375.274 2.667 20 0 GFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCn1cc(Br)cn1 ZINC000517263763 564530230 /nfs/dbraw/zinc/53/02/30/564530230.db2.gz XQPMGIWUGVVMGA-UHFFFAOYSA-N 2 1 375.274 2.667 20 0 GFADMP Cc1nc(-c2cc([C@H](C)[NH2+]CCC(=O)N3CC[NH+](C)CC3)cs2)cs1 ZINC000482432262 564542648 /nfs/dbraw/zinc/54/26/48/564542648.db2.gz AEWOOPXZUGKNQN-ZDUSSCGKSA-N 2 1 378.567 2.995 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066112 564638020 /nfs/dbraw/zinc/63/80/20/564638020.db2.gz UMRSVJGTJKPCCO-YOEHRIQHSA-N 2 1 382.346 2.537 20 0 GFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1OCCCO ZINC000459510232 564748058 /nfs/dbraw/zinc/74/80/58/564748058.db2.gz YWBJUHFPXXHDBT-ZDUSSCGKSA-N 2 1 382.302 2.837 20 0 GFADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714890 564770917 /nfs/dbraw/zinc/77/09/17/564770917.db2.gz NFDWNJZJSVDECK-CVEARBPZSA-N 2 1 384.351 2.974 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381809 564908499 /nfs/dbraw/zinc/90/84/99/564908499.db2.gz BGARLSIFCAOAGX-BHYGNILZSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381809 564908500 /nfs/dbraw/zinc/90/85/00/564908500.db2.gz BGARLSIFCAOAGX-BHYGNILZSA-N 2 1 385.346 2.993 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)C[C@@H]1C ZINC000531381809 564908502 /nfs/dbraw/zinc/90/85/02/564908502.db2.gz BGARLSIFCAOAGX-BHYGNILZSA-N 2 1 385.346 2.993 20 0 GFADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659318324 565213410 /nfs/dbraw/zinc/21/34/10/565213410.db2.gz DKKPPYQNWXEJFR-SNVBAGLBSA-N 2 1 386.359 2.916 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591278450 565220892 /nfs/dbraw/zinc/22/08/92/565220892.db2.gz CNKFJVZNRICYAA-OAHLLOKOSA-N 2 1 399.329 2.931 20 0 GFADMP C[C@@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264047 565358284 /nfs/dbraw/zinc/35/82/84/565358284.db2.gz POCYCGGUNJLRKR-MAUKXSAKSA-N 2 1 394.357 2.649 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505967 565372778 /nfs/dbraw/zinc/37/27/78/565372778.db2.gz WRHNBMVODLPKSI-KKXDTOCCSA-N 2 1 392.341 2.924 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505967 565372780 /nfs/dbraw/zinc/37/27/80/565372780.db2.gz WRHNBMVODLPKSI-KKXDTOCCSA-N 2 1 392.341 2.924 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662585972 565378330 /nfs/dbraw/zinc/37/83/30/565378330.db2.gz CTQQSPVWODFFMO-LBPRGKRZSA-N 2 1 398.370 2.966 20 0 GFADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662579092 565378613 /nfs/dbraw/zinc/37/86/13/565378613.db2.gz ZDADSODZVPTARI-HOTGVXAUSA-N 2 1 380.330 2.686 20 0 GFADMP C[C@]([NH3+])(C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000663004806 565392604 /nfs/dbraw/zinc/39/26/04/565392604.db2.gz RSBQOBZQFUPRDR-DNVCBOLYSA-N 2 1 394.357 2.861 20 0 GFADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596652589 565530542 /nfs/dbraw/zinc/53/05/42/565530542.db2.gz VGTMEIAEZYHLMN-BHYNMZESSA-N 2 1 394.684 2.787 20 0 GFADMP C[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000669582576 565694443 /nfs/dbraw/zinc/69/44/43/565694443.db2.gz AIHYAYGKIZVJFQ-FZMZJTMJSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000669582576 565694445 /nfs/dbraw/zinc/69/44/45/565694445.db2.gz AIHYAYGKIZVJFQ-FZMZJTMJSA-N 2 1 380.842 2.912 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl ZINC000629568006 565859151 /nfs/dbraw/zinc/85/91/51/565859151.db2.gz RIHOMJVVWHYLLE-OLZOCXBDSA-N 2 1 376.328 2.727 20 0 GFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629596453 565861769 /nfs/dbraw/zinc/86/17/69/565861769.db2.gz ZWGRIAKWEMJVAC-NXHRZFHOSA-N 2 1 378.314 2.634 20 0 GFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629596453 565861771 /nfs/dbraw/zinc/86/17/71/565861771.db2.gz ZWGRIAKWEMJVAC-NXHRZFHOSA-N 2 1 378.314 2.634 20 0 GFADMP C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000652354565 565924977 /nfs/dbraw/zinc/92/49/77/565924977.db2.gz BWWIAMZAHVIGKC-SWLSCSKDSA-N 2 1 388.375 2.918 20 0 GFADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@@H]1CC[NH3+] ZINC000652354565 565924983 /nfs/dbraw/zinc/92/49/83/565924983.db2.gz BWWIAMZAHVIGKC-SWLSCSKDSA-N 2 1 388.375 2.918 20 0 GFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000604389129 565927882 /nfs/dbraw/zinc/92/78/82/565927882.db2.gz FVFTZWPAOOIPOL-KRWDZBQOSA-N 2 1 382.346 2.540 20 0 GFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000604389129 565927888 /nfs/dbraw/zinc/92/78/88/565927888.db2.gz FVFTZWPAOOIPOL-KRWDZBQOSA-N 2 1 382.346 2.540 20 0 GFADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)CC2)cs1 ZINC000736704319 598713931 /nfs/dbraw/zinc/71/39/31/598713931.db2.gz LYZIJSQBQPNRLI-UHFFFAOYSA-N 2 1 397.552 2.887 20 0 GFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824983787 609330889 /nfs/dbraw/zinc/33/08/89/609330889.db2.gz CSOYRIGGIPIQSB-ZNMIVQPWSA-N 2 1 376.480 2.546 20 0 GFADMP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000823669789 660377788 /nfs/dbraw/zinc/37/77/88/660377788.db2.gz PBHJRZMQFBPKCR-UHFFFAOYSA-N 2 1 380.330 2.626 20 0 GFADMP [NH3+][C@H](CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC1 ZINC000831351078 660708766 /nfs/dbraw/zinc/70/87/66/660708766.db2.gz COFVPCHHGUWFIL-QGZVFWFLSA-N 2 1 380.330 2.657 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3cc(Br)ccc32)C1 ZINC000127974857 654839075 /nfs/dbraw/zinc/83/90/75/654839075.db2.gz KTRFCJIYFJXUCE-WMLDXEAASA-N 2 1 380.330 2.613 20 0 GFADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000178673391 655307818 /nfs/dbraw/zinc/30/78/18/655307818.db2.gz TUBQYBDUZMZGOX-XJKSGUPXSA-N 2 1 380.330 2.751 20 0 GFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264602920 655466916 /nfs/dbraw/zinc/46/69/16/655466916.db2.gz KLXWNKLILVOMEE-RTBURBONSA-N 2 1 396.373 2.584 20 0 GFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264602920 655466919 /nfs/dbraw/zinc/46/69/19/655466919.db2.gz KLXWNKLILVOMEE-RTBURBONSA-N 2 1 396.373 2.584 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Br)o1 ZINC000750735580 655816749 /nfs/dbraw/zinc/81/67/49/655816749.db2.gz YXLYKOIWSDKMGE-HQPKTYMTSA-N 2 1 398.345 2.930 20 0 GFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4SCCS[C@@H]34)cc2)CC1 ZINC000775377422 656633595 /nfs/dbraw/zinc/63/35/95/656633595.db2.gz WYYSKUOSHPTOKS-AABGKKOBSA-N 2 1 377.623 2.903 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC000843111228 661368726 /nfs/dbraw/zinc/36/87/26/661368726.db2.gz FDBBBZGYWIJMJA-UGSOOPFHSA-N 2 1 384.307 2.671 20 0 GFADMP Brc1cccc2c1C[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC000866594121 662482792 /nfs/dbraw/zinc/48/27/92/662482792.db2.gz AGXBYTIQDZMATL-HZPDHXFCSA-N 2 1 395.341 2.986 20 0 GFADMP CCOP(=O)(CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)OCC ZINC000876697665 662864940 /nfs/dbraw/zinc/86/49/40/662864940.db2.gz WKGFWUZEHYSUNH-GOSISDBHSA-N 2 1 375.494 2.745 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979316 662869130 /nfs/dbraw/zinc/86/91/30/662869130.db2.gz AZIWDTBFSZPMPS-RHSMWYFYSA-N 2 1 380.330 2.687 20 0 GFADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000892950238 663390979 /nfs/dbraw/zinc/39/09/79/663390979.db2.gz AUOFPRFGVCSFSN-QGZVFWFLSA-N 2 1 398.345 2.734 20 0 GFADMP CC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000903884220 663810083 /nfs/dbraw/zinc/81/00/83/663810083.db2.gz VBCQKIBUIXCCOP-INIZCTEOSA-N 2 1 378.318 2.987 20 0 GFADMP CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000903884220 663810086 /nfs/dbraw/zinc/81/00/86/663810086.db2.gz VBCQKIBUIXCCOP-INIZCTEOSA-N 2 1 378.318 2.987 20 0 GFADMP Cc1nc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)sc1Br ZINC000921627365 664558215 /nfs/dbraw/zinc/55/82/15/664558215.db2.gz HMEDWGZBRWNHGS-UHFFFAOYSA-N 2 1 387.391 2.862 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)C1 ZINC000923389747 664629402 /nfs/dbraw/zinc/62/94/02/664629402.db2.gz WEPKYGMBWTXNPI-BGTYHANMSA-N 2 1 383.330 2.701 20 0 GFADMP O[C@@H](CN1CCC([N@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931284008 664790540 /nfs/dbraw/zinc/79/05/40/664790540.db2.gz KVBNQKHFHARQEA-SFHVURJKSA-N 2 1 383.330 2.669 20 0 GFADMP CCCN(CCC)c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164681216 719631507 /nfs/dbraw/zinc/63/15/07/719631507.db2.gz DJBBBZQOPKPKNC-UHFFFAOYSA-N 2 1 385.560 2.775 20 0 GFADMP CCCN(CCC)c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncn1 ZINC001164681216 719631512 /nfs/dbraw/zinc/63/15/12/719631512.db2.gz DJBBBZQOPKPKNC-UHFFFAOYSA-N 2 1 385.560 2.775 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805924 720077799 /nfs/dbraw/zinc/07/77/99/720077799.db2.gz AVEMAAPEVADFHS-UGKGYDQZSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805924 720077805 /nfs/dbraw/zinc/07/78/05/720077805.db2.gz AVEMAAPEVADFHS-UGKGYDQZSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805924 720077813 /nfs/dbraw/zinc/07/78/13/720077813.db2.gz AVEMAAPEVADFHS-UGKGYDQZSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820210 720155589 /nfs/dbraw/zinc/15/55/89/720155589.db2.gz ZSYSUMONQMSZJF-IIBYNOLFSA-N 2 1 390.959 2.565 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817515 720179646 /nfs/dbraw/zinc/17/96/46/720179646.db2.gz PQOQBJAGGSKSDO-OFNKIYASSA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164817515 720179650 /nfs/dbraw/zinc/17/96/50/720179650.db2.gz PQOQBJAGGSKSDO-OFNKIYASSA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@H]1C[NH+](CC2CC2)C[C@]12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164817515 720179654 /nfs/dbraw/zinc/17/96/54/720179654.db2.gz PQOQBJAGGSKSDO-OFNKIYASSA-N 2 1 384.568 2.861 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164751080 720833017 /nfs/dbraw/zinc/83/30/17/720833017.db2.gz YIWIQAJMVVTINC-WAOWUJCRSA-N 2 1 391.523 2.842 20 0 GFADMP COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]c2ccccc21 ZINC001164764217 721171233 /nfs/dbraw/zinc/17/12/33/721171233.db2.gz GOURVROWXGVCNF-ROUUACIJSA-N 2 1 377.492 2.935 20 0 GFADMP COc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@H]3C2)[nH+]c2ccccc21 ZINC001164764217 721171237 /nfs/dbraw/zinc/17/12/37/721171237.db2.gz GOURVROWXGVCNF-ROUUACIJSA-N 2 1 377.492 2.935 20 0 GFADMP Cc1nc(N2CC[N@H+]3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899560 721514627 /nfs/dbraw/zinc/51/46/27/721514627.db2.gz KVHBNNOMFQLBDH-UYAOXDASSA-N 2 1 397.498 2.866 20 0 GFADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)NC[C@@H](O)C[NH+](C)C ZINC000154270401 551471007 /nfs/dbraw/zinc/47/10/07/551471007.db2.gz UCHQHMKTQWSRAT-SUMWQHHRSA-N 2 1 381.314 2.882 20 0 GFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000162819403 551613215 /nfs/dbraw/zinc/61/32/15/551613215.db2.gz CHOBRQITMZYPQT-HFTRVMKXSA-N 2 1 383.330 2.605 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000162819403 551613216 /nfs/dbraw/zinc/61/32/16/551613216.db2.gz CHOBRQITMZYPQT-HFTRVMKXSA-N 2 1 383.330 2.605 20 0 GFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)COc3ccc(Br)cc3)CC[C@@H]21 ZINC000162819403 551613217 /nfs/dbraw/zinc/61/32/17/551613217.db2.gz CHOBRQITMZYPQT-HFTRVMKXSA-N 2 1 383.330 2.605 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000237111750 553074890 /nfs/dbraw/zinc/07/48/90/553074890.db2.gz PBLDDNRMRXSKKB-CQSZACIVSA-N 2 1 398.345 2.867 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246956911 553115582 /nfs/dbraw/zinc/11/55/82/553115582.db2.gz AXLMYTBBNAJMHW-FUHWJXTLSA-N 2 1 397.357 2.997 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246956911 553115585 /nfs/dbraw/zinc/11/55/85/553115585.db2.gz AXLMYTBBNAJMHW-FUHWJXTLSA-N 2 1 397.357 2.997 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261647103 553155163 /nfs/dbraw/zinc/15/51/63/553155163.db2.gz JFEONVGHMKRNHH-WMLDXEAASA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261647103 553155164 /nfs/dbraw/zinc/15/51/64/553155164.db2.gz JFEONVGHMKRNHH-WMLDXEAASA-N 2 1 398.320 2.668 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788979 553159208 /nfs/dbraw/zinc/15/92/08/553159208.db2.gz PYBLBOKPDCDZPJ-KDOFPFPSSA-N 2 1 382.346 2.860 20 0 GFADMP O=C(CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262079822 553165298 /nfs/dbraw/zinc/16/52/98/553165298.db2.gz KPMFRONTHLQAEX-HNNXBMFYSA-N 2 1 386.323 2.659 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262190469 553167481 /nfs/dbraw/zinc/16/74/81/553167481.db2.gz YMFHQBMFDKMOPQ-QGZVFWFLSA-N 2 1 382.346 2.717 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262190469 553167483 /nfs/dbraw/zinc/16/74/83/553167483.db2.gz YMFHQBMFDKMOPQ-QGZVFWFLSA-N 2 1 382.346 2.717 20 0 GFADMP Cc1ccc(Br)c(C(=O)N(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000370573703 563248478 /nfs/dbraw/zinc/24/84/78/563248478.db2.gz JKABPZPAKLOGGV-INIZCTEOSA-N 2 1 394.357 2.998 20 0 GFADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000422639395 563345407 /nfs/dbraw/zinc/34/54/07/563345407.db2.gz SRCBWCHNRAZGPF-AGIUHOORSA-N 2 1 388.375 2.774 20 0 GFADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000422639395 563345408 /nfs/dbraw/zinc/34/54/08/563345408.db2.gz SRCBWCHNRAZGPF-AGIUHOORSA-N 2 1 388.375 2.774 20 0 GFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422731789 563348148 /nfs/dbraw/zinc/34/81/48/563348148.db2.gz MHLITCMFUORHAY-KSSFIOAISA-N 2 1 390.325 2.727 20 0 GFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422947561 563351580 /nfs/dbraw/zinc/35/15/80/563351580.db2.gz YKVKZMSHXRZLSK-QILLFSRXSA-N 2 1 393.325 2.737 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049736 563353698 /nfs/dbraw/zinc/35/36/98/563353698.db2.gz KPKKUJAZUDSJND-IXDOHACOSA-N 2 1 381.314 2.631 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411880 563404414 /nfs/dbraw/zinc/40/44/14/563404414.db2.gz AEIFTEQGUXMPLX-GOEBONIOSA-N 2 1 389.297 2.664 20 0 GFADMP COc1cc2[nH+]ccc(N3CCC[N@H+]([C@@H](C)CO)CC3)c2cc1Br ZINC000425250797 563414778 /nfs/dbraw/zinc/41/47/78/563414778.db2.gz DLRSVSNUKIAZCM-ZDUSSCGKSA-N 2 1 394.313 2.899 20 0 GFADMP O=C([C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2Cl)C1)N1CC[NH2+]CC1 ZINC000430637407 563546419 /nfs/dbraw/zinc/54/64/19/563546419.db2.gz BCCKLSFTGHOTGO-CQSZACIVSA-N 2 1 386.323 2.516 20 0 GFADMP C[NH2+]CC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000430942790 563550184 /nfs/dbraw/zinc/55/01/84/563550184.db2.gz MYYWBPCFTKKYLI-UHFFFAOYSA-N 2 1 379.302 2.854 20 0 GFADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746135 563752135 /nfs/dbraw/zinc/75/21/35/563752135.db2.gz LSLHVFVNLNXVKU-UKRRQHHQSA-N 2 1 383.334 2.868 20 0 GFADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746135 563752136 /nfs/dbraw/zinc/75/21/36/563752136.db2.gz LSLHVFVNLNXVKU-UKRRQHHQSA-N 2 1 383.334 2.868 20 0 GFADMP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc(I)c1OC ZINC000414945140 563755107 /nfs/dbraw/zinc/75/51/07/563755107.db2.gz QZYWXYCTGSPYHP-UHFFFAOYSA-N 2 1 390.265 2.540 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444263279 563826423 /nfs/dbraw/zinc/82/64/23/563826423.db2.gz FAUSRXXGZMJZNX-HKUYNNGSSA-N 2 1 392.341 2.529 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)c2F)CC1 ZINC000565338448 564276628 /nfs/dbraw/zinc/27/66/28/564276628.db2.gz WDVJJYKDTSSKLP-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP C[N@H+]1CC=C(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474877892 564292228 /nfs/dbraw/zinc/29/22/28/564292228.db2.gz IWLYSAJMTQJAMR-UHFFFAOYSA-N 2 1 378.204 2.921 20 0 GFADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)ccc(I)c2F)CC1 ZINC000474877892 564292230 /nfs/dbraw/zinc/29/22/30/564292230.db2.gz IWLYSAJMTQJAMR-UHFFFAOYSA-N 2 1 378.204 2.921 20 0 GFADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000566004935 564305574 /nfs/dbraw/zinc/30/55/74/564305574.db2.gz KKHACNZXCSAQKU-ZDUSSCGKSA-N 2 1 388.693 2.637 20 0 GFADMP Ic1ccc(OCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000511038151 564355130 /nfs/dbraw/zinc/35/51/30/564355130.db2.gz NVKIZUVJSAMYHG-GJZGRUSLSA-N 2 1 386.277 2.886 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000453339440 564454170 /nfs/dbraw/zinc/45/41/70/564454170.db2.gz BVIHKJRZIWXAAB-JKIFEVAISA-N 2 1 385.346 2.681 20 0 GFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393431 564592989 /nfs/dbraw/zinc/59/29/89/564592989.db2.gz JTDCDEVTUIWHSX-XJKSGUPXSA-N 2 1 389.309 2.649 20 0 GFADMP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000575124027 564692906 /nfs/dbraw/zinc/69/29/06/564692906.db2.gz KXPHXAIWAMOCRS-QAPCUYQASA-N 2 1 396.329 2.524 20 0 GFADMP O=C(NCCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1 ZINC000459408336 564743314 /nfs/dbraw/zinc/74/33/14/564743314.db2.gz LSYJYYKGPYGPIE-UHFFFAOYSA-N 2 1 380.330 2.785 20 0 GFADMP CN(CCC[N@@H+](C)Cc1nc2cc(Br)ccc2o1)CC[NH+](C)C ZINC000554744241 564772626 /nfs/dbraw/zinc/77/26/26/564772626.db2.gz WOPZPGLXTNLRSS-UHFFFAOYSA-N 2 1 383.334 2.906 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cscc2Br)CC1 ZINC000555780290 564804375 /nfs/dbraw/zinc/80/43/75/564804375.db2.gz QKDXZFDRZKNWNE-UHFFFAOYSA-N 2 1 395.326 2.839 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2C[N@H+](C)CCN2C)c1C ZINC000462839163 564859662 /nfs/dbraw/zinc/85/96/62/564859662.db2.gz UJOPWHNCJDWKOG-OAHLLOKOSA-N 2 1 377.330 2.694 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CN(C)CC[N@@H+]2C)c1C ZINC000462839163 564859665 /nfs/dbraw/zinc/85/96/65/564859665.db2.gz UJOPWHNCJDWKOG-OAHLLOKOSA-N 2 1 377.330 2.694 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@@H]2CN(C)CC[N@H+]2C)c1C ZINC000462839163 564859667 /nfs/dbraw/zinc/85/96/67/564859667.db2.gz UJOPWHNCJDWKOG-OAHLLOKOSA-N 2 1 377.330 2.694 20 0 GFADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561617 565203423 /nfs/dbraw/zinc/20/34/23/565203423.db2.gz WNBUWGBKDMPQLW-QEJZJMRPSA-N 2 1 377.838 2.928 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(Cl)ccc3Br)nn2)CC1 ZINC000641126773 565348128 /nfs/dbraw/zinc/34/81/28/565348128.db2.gz PQZRLMYRVMUCKQ-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP COc1cc(Br)ccc1CCC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153980 565352427 /nfs/dbraw/zinc/35/24/27/565352427.db2.gz VNJPDYWHIOUOAD-GOSISDBHSA-N 2 1 397.357 2.921 20 0 GFADMP COc1cc(Br)ccc1CCC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153980 565352433 /nfs/dbraw/zinc/35/24/33/565352433.db2.gz VNJPDYWHIOUOAD-GOSISDBHSA-N 2 1 397.357 2.921 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Br ZINC000662524597 565375176 /nfs/dbraw/zinc/37/51/76/565375176.db2.gz MPKFCJFCNZKZGB-QGZVFWFLSA-N 2 1 380.330 2.926 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590436 565377944 /nfs/dbraw/zinc/37/79/44/565377944.db2.gz MKRHMFMDXIIROC-WMLDXEAASA-N 2 1 380.330 2.687 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662813468 565386116 /nfs/dbraw/zinc/38/61/16/565386116.db2.gz NENLKSHYZUOULM-JQWIXIFHSA-N 2 1 384.343 2.718 20 0 GFADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466025 565423298 /nfs/dbraw/zinc/42/32/98/565423298.db2.gz NDBNINFGEIDZME-ZBFHGGJFSA-N 2 1 382.346 2.711 20 0 GFADMP COCCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000665292098 565496370 /nfs/dbraw/zinc/49/63/70/565496370.db2.gz SIXXQXRSTZNSQC-HNNXBMFYSA-N 2 1 395.301 2.661 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Br)c(F)c1F ZINC000628050469 565771349 /nfs/dbraw/zinc/77/13/49/565771349.db2.gz FAPORXCPWPSFMT-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(Br)c(F)c1F ZINC000628050469 565771356 /nfs/dbraw/zinc/77/13/56/565771356.db2.gz FAPORXCPWPSFMT-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000738426732 598717880 /nfs/dbraw/zinc/71/78/80/598717880.db2.gz UGWAUGGERQYHJU-GOSISDBHSA-N 2 1 384.528 2.834 20 0 GFADMP c1ccc(-c2nn[nH]n2)c(OCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000738426732 598717881 /nfs/dbraw/zinc/71/78/81/598717881.db2.gz UGWAUGGERQYHJU-GOSISDBHSA-N 2 1 384.528 2.834 20 0 GFADMP C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821603548 599592938 /nfs/dbraw/zinc/59/29/38/599592938.db2.gz DJCKYLKCBWSNSJ-IBGZPJMESA-N 2 1 392.507 2.699 20 0 GFADMP C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821603548 599592939 /nfs/dbraw/zinc/59/29/39/599592939.db2.gz DJCKYLKCBWSNSJ-IBGZPJMESA-N 2 1 392.507 2.699 20 0 GFADMP C[NH+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821603548 599592940 /nfs/dbraw/zinc/59/29/40/599592940.db2.gz DJCKYLKCBWSNSJ-IBGZPJMESA-N 2 1 392.507 2.699 20 0 GFADMP C[NH+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821603548 599592941 /nfs/dbraw/zinc/59/29/41/599592941.db2.gz DJCKYLKCBWSNSJ-IBGZPJMESA-N 2 1 392.507 2.699 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826182453 607527017 /nfs/dbraw/zinc/52/70/17/607527017.db2.gz KGQYAFJGMAMYCG-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826182453 607527019 /nfs/dbraw/zinc/52/70/19/607527019.db2.gz KGQYAFJGMAMYCG-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP Cc1cnc(Br)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000823491896 660373479 /nfs/dbraw/zinc/37/34/79/660373479.db2.gz ODFLAUYQYUEUBK-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1cnc(Br)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000823491896 660373480 /nfs/dbraw/zinc/37/34/80/660373480.db2.gz ODFLAUYQYUEUBK-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000834898756 660837321 /nfs/dbraw/zinc/83/73/21/660837321.db2.gz GKCKZNRPIRKARK-XYTVBORESA-N 2 1 397.357 2.824 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000060348622 654828056 /nfs/dbraw/zinc/82/80/56/654828056.db2.gz VDQJFLSPXQWFDB-CQSZACIVSA-N 2 1 391.940 2.516 20 0 GFADMP COCCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881028 654989963 /nfs/dbraw/zinc/98/99/63/654989963.db2.gz XSTSUGZDHZATGR-QZTJIDSGSA-N 2 1 385.346 2.963 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000838673325 661053394 /nfs/dbraw/zinc/05/33/94/661053394.db2.gz XETDSAIAZBARJO-ZBFHGGJFSA-N 2 1 379.376 2.628 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2ccccc2Br)C1 ZINC000751997982 655838218 /nfs/dbraw/zinc/83/82/18/655838218.db2.gz KFXXJIYDOOANIT-QAPCUYQASA-N 2 1 385.346 2.915 20 0 GFADMP CCc1ccc(C[NH+]2CCN(C(=S)NCC3CC[NH+](C)CC3)CC2)s1 ZINC000760493756 655982496 /nfs/dbraw/zinc/98/24/96/655982496.db2.gz PHPCNNGLBFYQOB-UHFFFAOYSA-N 2 1 380.627 2.644 20 0 GFADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2occc2Br)CC1 ZINC000809732030 659937408 /nfs/dbraw/zinc/93/74/08/659937408.db2.gz ANTVSCSWMHFYIF-UHFFFAOYSA-N 2 1 398.345 2.856 20 0 GFADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Br)cc1F ZINC000843363843 661378562 /nfs/dbraw/zinc/37/85/62/661378562.db2.gz DSFKFLRDUAFAEG-UHFFFAOYSA-N 2 1 384.293 2.992 20 0 GFADMP C[NH+](C)[C@]1(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)CCSC1 ZINC000849096497 661691886 /nfs/dbraw/zinc/69/18/86/661691886.db2.gz LIEJLTDEBAGQAF-HNNXBMFYSA-N 2 1 376.448 2.636 20 0 GFADMP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872028698 662754056 /nfs/dbraw/zinc/75/40/56/662754056.db2.gz SAJZEHZLGOJRBY-QFBILLFUSA-N 2 1 397.357 2.963 20 0 GFADMP OC1CC[NH+](CCC[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872028696 662754098 /nfs/dbraw/zinc/75/40/98/662754098.db2.gz SAJZEHZLGOJRBY-APWZRJJASA-N 2 1 397.357 2.963 20 0 GFADMP Cc1ccc([C@@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)S(C)(=O)=O)cc1 ZINC000873210863 662803964 /nfs/dbraw/zinc/80/39/64/662803964.db2.gz QUDMQFUMTIEWKU-LIRRHRJNSA-N 2 1 378.563 2.966 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328499 663069173 /nfs/dbraw/zinc/06/91/73/663069173.db2.gz RHXMCUNAPSMKQE-JLSDUUJJSA-N 2 1 392.341 2.924 20 0 GFADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccc(Br)cc1 ZINC000903814637 663807591 /nfs/dbraw/zinc/80/75/91/663807591.db2.gz FUZKZKRWZRTKKN-UHFFFAOYSA-N 2 1 396.329 2.622 20 0 GFADMP C[NH+](C)CCn1nccc1C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000907636216 664049367 /nfs/dbraw/zinc/04/93/67/664049367.db2.gz RMZIKYCTIIQJEC-UHFFFAOYSA-N 2 1 394.317 2.521 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@H]1[NH3+] ZINC000923289628 664627586 /nfs/dbraw/zinc/62/75/86/664627586.db2.gz RFOZCLJGTJFJJG-MPKXVKKWSA-N 2 1 377.710 2.511 20 0 GFADMP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164629944 719086964 /nfs/dbraw/zinc/08/69/64/719086964.db2.gz ULTXLFMMDSFHAK-YADHBBJMSA-N 2 1 391.563 2.934 20 0 GFADMP COC(=O)c1ccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc2c1 ZINC001164681513 719619222 /nfs/dbraw/zinc/61/92/22/719619222.db2.gz GUBMFGKWTCXXPF-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC(=O)c1ccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc2c1 ZINC001164681513 719619225 /nfs/dbraw/zinc/61/92/25/719619225.db2.gz GUBMFGKWTCXXPF-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820207 720155241 /nfs/dbraw/zinc/15/52/41/720155241.db2.gz ZSYSUMONQMSZJF-IERDGZPVSA-N 2 1 390.959 2.565 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817513 720178865 /nfs/dbraw/zinc/17/88/65/720178865.db2.gz PQOQBJAGGSKSDO-NZQKXSOJSA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164817513 720178879 /nfs/dbraw/zinc/17/88/79/720178879.db2.gz PQOQBJAGGSKSDO-NZQKXSOJSA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164817513 720178894 /nfs/dbraw/zinc/17/88/94/720178894.db2.gz PQOQBJAGGSKSDO-NZQKXSOJSA-N 2 1 384.568 2.861 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726341 720421379 /nfs/dbraw/zinc/42/13/79/720421379.db2.gz BNKMXEGDBXZXRE-NHCUHLMSSA-N 2 1 393.535 2.804 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164761674 721095417 /nfs/dbraw/zinc/09/54/17/721095417.db2.gz CMWGITVRYRYXSB-MOPGFXCFSA-N 2 1 377.492 2.935 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164761674 721095424 /nfs/dbraw/zinc/09/54/24/721095424.db2.gz CMWGITVRYRYXSB-MOPGFXCFSA-N 2 1 377.492 2.935 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@H]21 ZINC001165019651 721803569 /nfs/dbraw/zinc/80/35/69/721803569.db2.gz DKUWNWJFFNJYGF-SYYKKAFVSA-N 2 1 377.536 2.859 20 0 GFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]21 ZINC001165024916 721813526 /nfs/dbraw/zinc/81/35/26/721813526.db2.gz LGSISWKMCGFVRW-KBAYOESNSA-N 2 1 393.491 2.544 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]21 ZINC001165024916 721813529 /nfs/dbraw/zinc/81/35/29/721813529.db2.gz LGSISWKMCGFVRW-KBAYOESNSA-N 2 1 393.491 2.544 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)[nH+]1 ZINC001164980454 722124544 /nfs/dbraw/zinc/12/45/44/722124544.db2.gz RFBIYJFBUUSJHX-GHTZIAJQSA-N 2 1 377.492 2.994 20 0 GFADMP O[C@@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151109457 551407411 /nfs/dbraw/zinc/40/74/11/551407411.db2.gz MVYPBJAISZVGKA-OAHLLOKOSA-N 2 1 382.291 2.950 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]CC2=Cc3cc(Cl)cc(Cl)c3OC2)CC1 ZINC000171764407 551662498 /nfs/dbraw/zinc/66/24/98/551662498.db2.gz ZEMZLRFJDNUCLO-UHFFFAOYSA-N 2 1 384.307 2.523 20 0 GFADMP C[C@@H](NCc1cccnc1N1CCN(C)CC1)c1ncc(Br)s1 ZINC000179214755 552187572 /nfs/dbraw/zinc/18/75/72/552187572.db2.gz VUWMCGIJVUCBLV-GFCCVEGCSA-N 2 1 396.358 2.903 20 0 GFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ncc(Br)s1 ZINC000179225466 552187879 /nfs/dbraw/zinc/18/78/79/552187879.db2.gz KMMKHEHALMYBMI-GFCCVEGCSA-N 2 1 375.380 2.830 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](CO)c2cccc(Br)c2)CC1 ZINC000191604049 552532844 /nfs/dbraw/zinc/53/28/44/552532844.db2.gz FDJKTEJOHXYRRX-IBGZPJMESA-N 2 1 398.389 2.830 20 0 GFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000236914540 553072943 /nfs/dbraw/zinc/07/29/43/553072943.db2.gz KXMAWTGMCJWVPY-DYVFJYSZSA-N 2 1 382.346 2.903 20 0 GFADMP C[N@@H+](CC(=O)N1CCCN(Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000245608938 553093662 /nfs/dbraw/zinc/09/36/62/553093662.db2.gz KTSNLSFBSDMMNA-SFHVURJKSA-N 2 1 381.973 2.812 20 0 GFADMP C[C@]([NH3+])(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761055 553158517 /nfs/dbraw/zinc/15/85/17/553158517.db2.gz NMFUMXDIGGIBTB-MAUKXSAKSA-N 2 1 380.330 2.756 20 0 GFADMP C[C@@H](N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783431 563317241 /nfs/dbraw/zinc/31/72/41/563317241.db2.gz KGNNNYLCHWJWNY-CVEARBPZSA-N 2 1 382.346 2.506 20 0 GFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187536 563326253 /nfs/dbraw/zinc/32/62/53/563326253.db2.gz CTCWGJIKJWBUJC-SUMWQHHRSA-N 2 1 385.961 2.773 20 0 GFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187536 563326256 /nfs/dbraw/zinc/32/62/56/563326256.db2.gz CTCWGJIKJWBUJC-SUMWQHHRSA-N 2 1 385.961 2.773 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423153892 563357081 /nfs/dbraw/zinc/35/70/81/563357081.db2.gz IJYNUJVPOYDEAN-GXTWGEPZSA-N 2 1 394.313 2.767 20 0 GFADMP COc1cc2[nH+]ccc(N3CCC[N@@H+](CCO)CC3)c2cc1Br ZINC000425228083 563413381 /nfs/dbraw/zinc/41/33/81/563413381.db2.gz PMCGRDHXISDMQA-UHFFFAOYSA-N 2 1 380.286 2.510 20 0 GFADMP COC(=O)[C@@H]1C[N@H+](CCn2cc[nH+]c2C)C[C@H]1c1ccc(Br)cc1 ZINC000425505669 563425561 /nfs/dbraw/zinc/42/55/61/563425561.db2.gz BWHYIZNTEJQNRK-DLBZAZTESA-N 2 1 392.297 2.843 20 0 GFADMP COC(=O)[C@@H]1C[N@@H+](CCn2cc[nH+]c2C)C[C@H]1c1ccc(Br)cc1 ZINC000425505669 563425562 /nfs/dbraw/zinc/42/55/62/563425562.db2.gz BWHYIZNTEJQNRK-DLBZAZTESA-N 2 1 392.297 2.843 20 0 GFADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537942 563518523 /nfs/dbraw/zinc/51/85/23/563518523.db2.gz IAUPZEQPAZMJCG-JKSUJKDBSA-N 2 1 389.309 2.744 20 0 GFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537942 563518524 /nfs/dbraw/zinc/51/85/24/563518524.db2.gz IAUPZEQPAZMJCG-JKSUJKDBSA-N 2 1 389.309 2.744 20 0 GFADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cncc(Br)c1 ZINC000288666770 563652929 /nfs/dbraw/zinc/65/29/29/563652929.db2.gz WCXYSSFESWRRDM-UHFFFAOYSA-N 2 1 379.302 2.859 20 0 GFADMP CN(CC(F)(F)F)C(=O)C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435689988 563656463 /nfs/dbraw/zinc/65/64/63/563656463.db2.gz ATVDUECAQAEUJD-AWEZNQCLSA-N 2 1 375.460 2.713 20 0 GFADMP CN(CC(F)(F)F)C(=O)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435689988 563656465 /nfs/dbraw/zinc/65/64/65/563656465.db2.gz ATVDUECAQAEUJD-AWEZNQCLSA-N 2 1 375.460 2.713 20 0 GFADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972970 563677827 /nfs/dbraw/zinc/67/78/27/563677827.db2.gz OXMMAMFEJIGPIF-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412972970 563677830 /nfs/dbraw/zinc/67/78/30/563677830.db2.gz OXMMAMFEJIGPIF-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP CC[C@H](C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+](C)C ZINC000412976189 563677996 /nfs/dbraw/zinc/67/79/96/563677996.db2.gz VRQXKQKFDLRDSJ-QGZVFWFLSA-N 2 1 382.346 2.870 20 0 GFADMP COCC[N@@H+](C)CCCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000363061138 563713289 /nfs/dbraw/zinc/71/32/89/563713289.db2.gz IJPKHHICMCTAKT-UHFFFAOYSA-N 2 1 387.977 2.698 20 0 GFADMP C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000439444010 563725598 /nfs/dbraw/zinc/72/55/98/563725598.db2.gz BGSHVEAVEUXADS-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000439444010 563725600 /nfs/dbraw/zinc/72/56/00/563725600.db2.gz BGSHVEAVEUXADS-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000439444010 563725604 /nfs/dbraw/zinc/72/56/04/563725604.db2.gz BGSHVEAVEUXADS-BBRMVZONSA-N 2 1 389.309 2.602 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)C1 ZINC000414676044 563750159 /nfs/dbraw/zinc/75/01/59/563750159.db2.gz HCZFKPBIFZINBX-IFXJQAMLSA-N 2 1 375.563 2.954 20 0 GFADMP CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759386 563752911 /nfs/dbraw/zinc/75/29/11/563752911.db2.gz ODXTYNGIDJTODI-GOEBONIOSA-N 2 1 394.357 2.783 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414930894 563754554 /nfs/dbraw/zinc/75/45/54/563754554.db2.gz BLCLRBZLTPPLGS-BBRMVZONSA-N 2 1 399.329 2.787 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292232178 563779513 /nfs/dbraw/zinc/77/95/13/563779513.db2.gz VXRJWMBTBKMAAC-KXBFYZLASA-N 2 1 394.357 2.824 20 0 GFADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000443058090 563789603 /nfs/dbraw/zinc/78/96/03/563789603.db2.gz JDPCEQLZFDNYMP-CYBMUJFWSA-N 2 1 379.302 2.984 20 0 GFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C1 ZINC000443058090 563789604 /nfs/dbraw/zinc/78/96/04/563789604.db2.gz JDPCEQLZFDNYMP-CYBMUJFWSA-N 2 1 379.302 2.984 20 0 GFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600970 564192098 /nfs/dbraw/zinc/19/20/98/564192098.db2.gz QAUGCQZSGCBGEL-JQFCIGGWSA-N 2 1 385.321 2.956 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680710 564195769 /nfs/dbraw/zinc/19/57/69/564195769.db2.gz KMZYWNODBHKQHV-MPGHIAIKSA-N 2 1 399.373 2.929 20 0 GFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683854 564196066 /nfs/dbraw/zinc/19/60/66/564196066.db2.gz OCSNFWJKCYRKCQ-JYJNAYRXSA-N 2 1 385.321 2.956 20 0 GFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357393 564276821 /nfs/dbraw/zinc/27/68/21/564276821.db2.gz OHYTXSGUUWEUGT-NILFDRSVSA-N 2 1 387.343 2.775 20 0 GFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357392 564277130 /nfs/dbraw/zinc/27/71/30/564277130.db2.gz OHYTXSGUUWEUGT-GLQYFDAESA-N 2 1 387.343 2.775 20 0 GFADMP Cc1oc(Br)cc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000566114071 564310384 /nfs/dbraw/zinc/31/03/84/564310384.db2.gz ZHHAIUZVMQLBEF-UHFFFAOYSA-N 2 1 379.258 2.750 20 0 GFADMP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000566192877 564315690 /nfs/dbraw/zinc/31/56/90/564315690.db2.gz RWZVKLVJVKSUPC-KBPBESRZSA-N 2 1 397.361 2.839 20 0 GFADMP C[C@@H]1CSC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000512151440 564394051 /nfs/dbraw/zinc/39/40/51/564394051.db2.gz YLZUNDGBAUEXTB-OLMNPRSZSA-N 2 1 381.973 2.934 20 0 GFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083965 564446004 /nfs/dbraw/zinc/44/60/04/564446004.db2.gz GQLDJIBAAQKNQS-AAEUAGOBSA-N 2 1 392.256 2.538 20 0 GFADMP Brc1ccc(-c2cnc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000514676708 564453940 /nfs/dbraw/zinc/45/39/40/564453940.db2.gz ZYWDUCHJLDQOSV-MRXNPFEDSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1ccc(-c2cnc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)cc1 ZINC000514676708 564453943 /nfs/dbraw/zinc/45/39/43/564453943.db2.gz ZYWDUCHJLDQOSV-MRXNPFEDSA-N 2 1 391.313 2.584 20 0 GFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000570692431 564516939 /nfs/dbraw/zinc/51/69/39/564516939.db2.gz GMKVIMGPGZAMHC-WBVHZDCISA-N 2 1 397.313 2.896 20 0 GFADMP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]cc2Br)CC1 ZINC000548153776 564533132 /nfs/dbraw/zinc/53/31/32/564533132.db2.gz TYARVDZUSDISDU-UHFFFAOYSA-N 2 1 397.361 2.765 20 0 GFADMP Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@H]3CCC[N@H+]3C)nc12 ZINC000571156120 564537915 /nfs/dbraw/zinc/53/79/15/564537915.db2.gz YIRWLPBCLVNJFE-OAHLLOKOSA-N 2 1 394.317 2.641 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000552089560 564676223 /nfs/dbraw/zinc/67/62/23/564676223.db2.gz NMUSBVCVLYBRCN-OCCSQVGLSA-N 2 1 394.368 2.592 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000552275875 564684195 /nfs/dbraw/zinc/68/41/95/564684195.db2.gz CQLLNIGEPABDRU-HDEZJCGLSA-N 2 1 383.330 2.651 20 0 GFADMP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000638132310 565186350 /nfs/dbraw/zinc/18/63/50/565186350.db2.gz PVUUSNDHQYFPJJ-MRXNPFEDSA-N 2 1 378.314 2.577 20 0 GFADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000638860861 565215495 /nfs/dbraw/zinc/21/54/95/565215495.db2.gz IOHJSYIAPXQSBN-MRXNPFEDSA-N 2 1 380.330 2.926 20 0 GFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639177621 565230257 /nfs/dbraw/zinc/23/02/57/565230257.db2.gz WKNQEXCNSFUHBL-UHFFFAOYSA-N 2 1 384.933 2.659 20 0 GFADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc(Br)cc3F)C2)CC1 ZINC000639758226 565257952 /nfs/dbraw/zinc/25/79/52/565257952.db2.gz RAMQUTRFVQTNHC-UHFFFAOYSA-N 2 1 384.293 2.944 20 0 GFADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(Br)cc3F)C2)CC1 ZINC000639758226 565257955 /nfs/dbraw/zinc/25/79/55/565257955.db2.gz RAMQUTRFVQTNHC-UHFFFAOYSA-N 2 1 384.293 2.944 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cscc1Br ZINC000640184817 565285754 /nfs/dbraw/zinc/28/57/54/565285754.db2.gz FUUWACQWXFKMKI-NSHDSACASA-N 2 1 377.352 2.904 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cscc1Br ZINC000640184817 565285756 /nfs/dbraw/zinc/28/57/56/565285756.db2.gz FUUWACQWXFKMKI-NSHDSACASA-N 2 1 377.352 2.904 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3c(Cl)cccc3Cl)nn2)CC1 ZINC000640837209 565330365 /nfs/dbraw/zinc/33/03/65/565330365.db2.gz LDUQMHAIIUVDAJ-UHFFFAOYSA-N 2 1 384.311 2.630 20 0 GFADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662354393 565362073 /nfs/dbraw/zinc/36/20/73/565362073.db2.gz FKYIWJNQXJVZNE-QGZVFWFLSA-N 2 1 376.298 2.827 20 0 GFADMP [NH3+][C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667522 565380421 /nfs/dbraw/zinc/38/04/21/565380421.db2.gz BSYOBKOZWWJFJX-SUMWQHHRSA-N 2 1 380.330 2.972 20 0 GFADMP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667522 565380427 /nfs/dbraw/zinc/38/04/27/565380427.db2.gz BSYOBKOZWWJFJX-SUMWQHHRSA-N 2 1 380.330 2.972 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(Cl)cc1Cl ZINC000663363110 565414759 /nfs/dbraw/zinc/41/47/59/565414759.db2.gz HKUWDPQQSZYTLR-CVEARBPZSA-N 2 1 389.323 2.576 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)s1 ZINC000663692742 565431179 /nfs/dbraw/zinc/43/11/79/565431179.db2.gz ICDDNTRFVNNAHX-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccc(Br)s1 ZINC000663692742 565431186 /nfs/dbraw/zinc/43/11/86/565431186.db2.gz ICDDNTRFVNNAHX-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000669930929 565708285 /nfs/dbraw/zinc/70/82/85/565708285.db2.gz OWAYCPXRIJLENZ-QGZVFWFLSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2Br)CC1 ZINC000669930929 565708290 /nfs/dbraw/zinc/70/82/90/565708290.db2.gz OWAYCPXRIJLENZ-QGZVFWFLSA-N 2 1 380.330 2.750 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678014 565779289 /nfs/dbraw/zinc/77/92/89/565779289.db2.gz AKIUIVZFEBGDGH-UXLLHSPISA-N 2 1 392.341 2.713 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678014 565779294 /nfs/dbraw/zinc/77/92/94/565779294.db2.gz AKIUIVZFEBGDGH-UXLLHSPISA-N 2 1 392.341 2.713 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccncc2Br)c2cccs2)CC1 ZINC000631030040 565933630 /nfs/dbraw/zinc/93/36/30/565933630.db2.gz ILWSKCKAKXLTGO-MRXNPFEDSA-N 2 1 395.370 2.984 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC3CC[NH+](CC(C)C)CC3)c2c1 ZINC000737248656 599264756 /nfs/dbraw/zinc/26/47/56/599264756.db2.gz IYRHINTVTVFELJ-UHFFFAOYSA-N 2 1 379.512 2.986 20 0 GFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)[nH+]1 ZINC000826269155 609348660 /nfs/dbraw/zinc/34/86/60/609348660.db2.gz BWJAVALZQFGPMR-CZUORRHYSA-N 2 1 396.474 2.732 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061329 660244909 /nfs/dbraw/zinc/24/49/09/660244909.db2.gz KTDXFSVVISTFJC-ZWKOTPCHSA-N 2 1 383.330 2.716 20 0 GFADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000821368292 660323169 /nfs/dbraw/zinc/32/31/69/660323169.db2.gz MUTZAEGHPZCVDA-UHFFFAOYSA-N 2 1 392.345 2.885 20 0 GFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000821368292 660323170 /nfs/dbraw/zinc/32/31/70/660323170.db2.gz MUTZAEGHPZCVDA-UHFFFAOYSA-N 2 1 392.345 2.885 20 0 GFADMP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@@H+]2CCc3sccc3C2)cc(Cl)n1 ZINC000827549048 660501984 /nfs/dbraw/zinc/50/19/84/660501984.db2.gz YSEPKWZQCXKVAN-HNNXBMFYSA-N 2 1 378.929 2.669 20 0 GFADMP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@H+]2CCc3sccc3C2)cc(Cl)n1 ZINC000827549048 660501986 /nfs/dbraw/zinc/50/19/86/660501986.db2.gz YSEPKWZQCXKVAN-HNNXBMFYSA-N 2 1 378.929 2.669 20 0 GFADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192159053 655403063 /nfs/dbraw/zinc/40/30/63/655403063.db2.gz LJIAYEBQDUFNEY-UHFFFAOYSA-N 2 1 386.265 2.727 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1c(=O)oc2cc(F)c(Br)cc21 ZINC000192159053 655403066 /nfs/dbraw/zinc/40/30/66/655403066.db2.gz LJIAYEBQDUFNEY-UHFFFAOYSA-N 2 1 386.265 2.727 20 0 GFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000261943980 655443244 /nfs/dbraw/zinc/44/32/44/655443244.db2.gz NDLAXZDPYJFIIH-OAHLLOKOSA-N 2 1 382.346 2.847 20 0 GFADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834966 655504566 /nfs/dbraw/zinc/50/45/66/655504566.db2.gz MYSXTGFXVUWQBB-HDMKZQKVSA-N 2 1 392.341 2.876 20 0 GFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775391013 656636260 /nfs/dbraw/zinc/63/62/60/656636260.db2.gz BMTFIFZCFLVMGN-KNJMJIDISA-N 2 1 378.607 2.839 20 0 GFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000775391013 656636265 /nfs/dbraw/zinc/63/62/65/656636265.db2.gz BMTFIFZCFLVMGN-KNJMJIDISA-N 2 1 378.607 2.839 20 0 GFADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccnc3Br)cc2)C1 ZINC000865624230 662432634 /nfs/dbraw/zinc/43/26/34/662432634.db2.gz WSMYCBVBIZZPNH-KRWDZBQOSA-N 2 1 376.298 2.701 20 0 GFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccnc3Br)cc2)C1 ZINC000865624230 662432637 /nfs/dbraw/zinc/43/26/37/662432637.db2.gz WSMYCBVBIZZPNH-KRWDZBQOSA-N 2 1 376.298 2.701 20 0 GFADMP C[NH2+][C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000877357370 662874350 /nfs/dbraw/zinc/87/43/50/662874350.db2.gz SCNCVJUIDGBHRY-PLMOITTCSA-N 2 1 384.229 2.850 20 0 GFADMP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000879033889 662913979 /nfs/dbraw/zinc/91/39/79/662913979.db2.gz SOKFUQHOZNJRMZ-JTQLQIEISA-N 2 1 390.272 2.588 20 0 GFADMP [NH3+][C@H]1C[C@H](CNC(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000891769903 663349993 /nfs/dbraw/zinc/34/99/93/663349993.db2.gz SYTZOAPSTHEYNX-YGUOUDRMSA-N 2 1 385.339 2.994 20 0 GFADMP Brc1ccc([C@@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727907 663805284 /nfs/dbraw/zinc/80/52/84/663805284.db2.gz ZDJZUQDTEMHOIL-MSOLQXFVSA-N 2 1 395.341 2.981 20 0 GFADMP Brc1ccc([C@@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727907 663805285 /nfs/dbraw/zinc/80/52/85/663805285.db2.gz ZDJZUQDTEMHOIL-MSOLQXFVSA-N 2 1 395.341 2.981 20 0 GFADMP C[N@@H+](CCc1ccc(Br)cc1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903891047 663810378 /nfs/dbraw/zinc/81/03/78/663810378.db2.gz IQYRXJZRDVLADG-INIZCTEOSA-N 2 1 378.318 2.640 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372338 663868320 /nfs/dbraw/zinc/86/83/20/663868320.db2.gz JXBFGXREQGPXBX-UGSOOPFHSA-N 2 1 384.307 2.671 20 0 GFADMP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389640 664598409 /nfs/dbraw/zinc/59/84/09/664598409.db2.gz IWNZNCHJSVRWEB-DZUCGIPZSA-N 2 1 386.309 2.553 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389640 664598414 /nfs/dbraw/zinc/59/84/14/664598414.db2.gz IWNZNCHJSVRWEB-DZUCGIPZSA-N 2 1 386.309 2.553 20 0 GFADMP Cn1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c(Br)n1 ZINC000925806469 664675057 /nfs/dbraw/zinc/67/50/57/664675057.db2.gz QFDUWUDIPQQFDE-RHSMWYFYSA-N 2 1 377.286 2.528 20 0 GFADMP C[NH+](C)C[C@@H]1Cn2ccnc2CN(c2nc(Cl)ccc2C[NH+]2CCCC2)C1 ZINC001164727497 720517566 /nfs/dbraw/zinc/51/75/66/720517566.db2.gz HPRQGPAXZSMMLV-MRXNPFEDSA-N 2 1 388.947 2.725 20 0 GFADMP Nc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754867 720868801 /nfs/dbraw/zinc/86/88/01/720868801.db2.gz UFFUGCXGFFAYMY-NZQKXSOJSA-N 2 1 393.535 2.814 20 0 GFADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@H+]3C2)c1 ZINC001164870996 721137894 /nfs/dbraw/zinc/13/78/94/721137894.db2.gz CVYPUTMJCOAHRT-FCHUYYIVSA-N 2 1 393.535 2.552 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@@H]21 ZINC001164804382 721541149 /nfs/dbraw/zinc/54/11/49/721541149.db2.gz JPDUGBLUHGEAMZ-PWRODBHTSA-N 2 1 377.492 2.837 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@@H]21 ZINC001165019649 721803447 /nfs/dbraw/zinc/80/34/47/721803447.db2.gz DKUWNWJFFNJYGF-KAGYGMCKSA-N 2 1 377.536 2.859 20 0 GFADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154345264 551472906 /nfs/dbraw/zinc/47/29/06/551472906.db2.gz JDYTUCUMVQKHLX-JQWIXIFHSA-N 2 1 381.826 2.588 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402709 551522123 /nfs/dbraw/zinc/52/21/23/551522123.db2.gz RHEHLBNFDWTYJO-CKEIUWERSA-N 2 1 382.346 2.887 20 0 GFADMP Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607069 553154160 /nfs/dbraw/zinc/15/41/60/553154160.db2.gz CWKCNXHNYVTBLH-SJLPKXTDSA-N 2 1 394.357 2.838 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761709 553158663 /nfs/dbraw/zinc/15/86/63/553158663.db2.gz JTQUTVIRKPFEKW-DNVCBOLYSA-N 2 1 394.357 2.813 20 0 GFADMP C[C@@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034355 553164812 /nfs/dbraw/zinc/16/48/12/553164812.db2.gz OJFRIODNRLYNDG-WMLDXEAASA-N 2 1 382.346 2.872 20 0 GFADMP COc1sc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1Br ZINC000282541090 563415165 /nfs/dbraw/zinc/41/51/65/563415165.db2.gz ZSAJUZMLYIOREE-UHFFFAOYSA-N 2 1 376.364 2.635 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422943259 563351849 /nfs/dbraw/zinc/35/18/49/563351849.db2.gz XTOSYHJCYVQJIP-IXDOHACOSA-N 2 1 385.599 2.789 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101290 563405306 /nfs/dbraw/zinc/40/53/06/563405306.db2.gz ZLLCGDOKYBAPFP-DZGCQCFKSA-N 2 1 397.361 2.583 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427099639 563459979 /nfs/dbraw/zinc/45/99/79/563459979.db2.gz IJNOOZGUVCDMHW-XJKSGUPXSA-N 2 1 386.277 2.744 20 0 GFADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537628 563518310 /nfs/dbraw/zinc/51/83/10/563518310.db2.gz IAUPZEQPAZMJCG-HOTGVXAUSA-N 2 1 389.309 2.744 20 0 GFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537628 563518313 /nfs/dbraw/zinc/51/83/13/563518313.db2.gz IAUPZEQPAZMJCG-HOTGVXAUSA-N 2 1 389.309 2.744 20 0 GFADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000290142744 563699424 /nfs/dbraw/zinc/69/94/24/563699424.db2.gz MPDXNBKSFKDQSK-MSOLQXFVSA-N 2 1 394.357 2.918 20 0 GFADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000290142746 563699607 /nfs/dbraw/zinc/69/96/07/563699607.db2.gz MPDXNBKSFKDQSK-QZTJIDSGSA-N 2 1 394.357 2.918 20 0 GFADMP C[C@H](C[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739678 563751436 /nfs/dbraw/zinc/75/14/36/563751436.db2.gz JDDWAUFMPMFTNV-ZIAGYGMSSA-N 2 1 388.339 2.890 20 0 GFADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746131 563751500 /nfs/dbraw/zinc/75/15/00/563751500.db2.gz LSLHVFVNLNXVKU-DZGCQCFKSA-N 2 1 383.334 2.868 20 0 GFADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414746131 563751505 /nfs/dbraw/zinc/75/15/05/563751505.db2.gz LSLHVFVNLNXVKU-DZGCQCFKSA-N 2 1 383.334 2.868 20 0 GFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743355 563752047 /nfs/dbraw/zinc/75/20/47/563752047.db2.gz IQSJTOUBJJXBKJ-RBSFLKMASA-N 2 1 395.345 2.883 20 0 GFADMP COc1c(Br)cccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415046673 563757310 /nfs/dbraw/zinc/75/73/10/563757310.db2.gz DBUSYFMRKPAYTK-UHFFFAOYSA-N 2 1 382.346 2.764 20 0 GFADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000294072914 563830680 /nfs/dbraw/zinc/83/06/80/563830680.db2.gz LDNHHXUBTPRZPA-KRWDZBQOSA-N 2 1 379.302 2.725 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686352 564197067 /nfs/dbraw/zinc/19/70/67/564197067.db2.gz WEHFWZSKGJZLAJ-INIZCTEOSA-N 2 1 399.373 2.609 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000563551032 564197514 /nfs/dbraw/zinc/19/75/14/564197514.db2.gz WNNPZEYTFPIOON-ZDUSSCGKSA-N 2 1 394.313 2.872 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000563551032 564197518 /nfs/dbraw/zinc/19/75/18/564197518.db2.gz WNNPZEYTFPIOON-ZDUSSCGKSA-N 2 1 394.313 2.872 20 0 GFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364668 564226861 /nfs/dbraw/zinc/22/68/61/564226861.db2.gz WQVKJMBWYIRMHH-KRWDZBQOSA-N 2 1 385.346 2.993 20 0 GFADMP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555912 564318068 /nfs/dbraw/zinc/31/80/68/564318068.db2.gz YHCACVJNOAHVKL-GJZGRUSLSA-N 2 1 387.977 2.915 20 0 GFADMP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000567383261 564369302 /nfs/dbraw/zinc/36/93/02/564369302.db2.gz UTKBCQMZQCHHQM-CYBMUJFWSA-N 2 1 380.330 2.670 20 0 GFADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894675 564395889 /nfs/dbraw/zinc/39/58/89/564395889.db2.gz NLQWBBWUJOYTMI-CHWSQXEVSA-N 2 1 384.293 2.848 20 0 GFADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894675 564395894 /nfs/dbraw/zinc/39/58/94/564395894.db2.gz NLQWBBWUJOYTMI-CHWSQXEVSA-N 2 1 384.293 2.848 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@H]21 ZINC000513698123 564436860 /nfs/dbraw/zinc/43/68/60/564436860.db2.gz WTRZCRYZNJYWOV-IXDOHACOSA-N 2 1 380.330 2.641 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccc(Br)cc3)CCC2)CC1 ZINC000514091930 564446031 /nfs/dbraw/zinc/44/60/31/564446031.db2.gz ZSWLHYSHXNIEOP-UHFFFAOYSA-N 2 1 380.330 2.582 20 0 GFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(Br)cn2)c2cccs2)CC1 ZINC000524339652 564679694 /nfs/dbraw/zinc/67/96/94/564679694.db2.gz CMOWCAZSDWQZPD-INIZCTEOSA-N 2 1 395.370 2.984 20 0 GFADMP O=C(C[NH2+]Cc1ccc(F)c(Br)c1)NCC[NH+]1CCCCCC1 ZINC000577200290 564729374 /nfs/dbraw/zinc/72/93/74/564729374.db2.gz CPZSPDCCFNQVTE-UHFFFAOYSA-N 2 1 386.309 2.670 20 0 GFADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527654242 564753385 /nfs/dbraw/zinc/75/33/85/564753385.db2.gz SFDLLMMBQVWJJM-CYBMUJFWSA-N 2 1 389.769 2.861 20 0 GFADMP [NH3+]CCC1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000582791221 564862510 /nfs/dbraw/zinc/86/25/10/564862510.db2.gz ROIYZWSDYBUQHO-UHFFFAOYSA-N 2 1 379.302 2.984 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCO)Cc2cccc(Br)c2)CC1 ZINC000501954871 564988865 /nfs/dbraw/zinc/98/88/65/564988865.db2.gz SRKLGXSZCCSBCG-UHFFFAOYSA-N 2 1 398.389 2.660 20 0 GFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000638670835 565206407 /nfs/dbraw/zinc/20/64/07/565206407.db2.gz LQAZUZRYUIFPGT-YJBOKZPZSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@H]1c1cccs1 ZINC000638670835 565206412 /nfs/dbraw/zinc/20/64/12/565206412.db2.gz LQAZUZRYUIFPGT-YJBOKZPZSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000638670833 565206671 /nfs/dbraw/zinc/20/66/71/565206671.db2.gz LQAZUZRYUIFPGT-MAUKXSAKSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000638670833 565206673 /nfs/dbraw/zinc/20/66/73/565206673.db2.gz LQAZUZRYUIFPGT-MAUKXSAKSA-N 2 1 379.551 2.568 20 0 GFADMP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1sc2c(c1Br)C[NH2+]C2 ZINC000638670441 565207196 /nfs/dbraw/zinc/20/71/96/565207196.db2.gz GDDWEJXPWWJPJV-UHFFFAOYSA-N 2 1 394.294 2.848 20 0 GFADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638738739 565209273 /nfs/dbraw/zinc/20/92/73/565209273.db2.gz NMJNATRMUNJHQY-UHFFFAOYSA-N 2 1 382.302 2.915 20 0 GFADMP [NH3+][C@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659324838 565212979 /nfs/dbraw/zinc/21/29/79/565212979.db2.gz LLXOYXSECRRTMD-JTQLQIEISA-N 2 1 378.295 2.644 20 0 GFADMP [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659324847 565213171 /nfs/dbraw/zinc/21/31/71/565213171.db2.gz LLXOYXSECRRTMD-SNVBAGLBSA-N 2 1 378.295 2.644 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)cc1F ZINC000617502316 565243127 /nfs/dbraw/zinc/24/31/27/565243127.db2.gz LJPPWHPZCXXKHT-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(Br)cc1F ZINC000617502316 565243130 /nfs/dbraw/zinc/24/31/30/565243130.db2.gz LJPPWHPZCXXKHT-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(Br)c(Cl)c3)nn2)CC1 ZINC000641113750 565346948 /nfs/dbraw/zinc/34/69/48/565346948.db2.gz ATCNBXAZXOQFIH-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319417 565360511 /nfs/dbraw/zinc/36/05/11/565360511.db2.gz MUTCZCQLPNZJJH-GOEBONIOSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319417 565360515 /nfs/dbraw/zinc/36/05/15/565360515.db2.gz MUTCZCQLPNZJJH-GOEBONIOSA-N 2 1 391.339 2.776 20 0 GFADMP C[C@]([NH3+])(C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc(Br)cc1 ZINC000662834998 565387589 /nfs/dbraw/zinc/38/75/89/565387589.db2.gz JZHCRLUQAOLLMB-LZLYRXPVSA-N 2 1 380.330 2.756 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000644532055 565479827 /nfs/dbraw/zinc/47/98/27/565479827.db2.gz XCVUKBNMRLYSCH-WBVHZDCISA-N 2 1 385.346 2.899 20 0 GFADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524073 565480823 /nfs/dbraw/zinc/48/08/23/565480823.db2.gz PGFIUWILHGKPHV-HRCADAONSA-N 2 1 387.293 2.544 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)cc1Br ZINC000665599175 565505536 /nfs/dbraw/zinc/50/55/36/565505536.db2.gz ZGFWFYHHVHNKBM-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1ccc(F)cc1Br ZINC000665599175 565505539 /nfs/dbraw/zinc/50/55/39/565505539.db2.gz ZGFWFYHHVHNKBM-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701987 565553944 /nfs/dbraw/zinc/55/39/44/565553944.db2.gz VYOSKBRTANPPFO-WMLDXEAASA-N 2 1 380.330 2.783 20 0 GFADMP Cc1c(Br)cncc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000667054443 565568101 /nfs/dbraw/zinc/56/81/01/565568101.db2.gz IQFYYPFGORBOAN-UHFFFAOYSA-N 2 1 390.285 2.552 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@]1(CO)CCc2cc(Br)ccc2C1 ZINC000625796143 565661037 /nfs/dbraw/zinc/66/10/37/565661037.db2.gz GTZRUOMVAHCDIA-GOSISDBHSA-N 2 1 378.314 2.854 20 0 GFADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040812 565672114 /nfs/dbraw/zinc/67/21/14/565672114.db2.gz MRWYDPBZAMKKNJ-LESCRADOSA-N 2 1 385.346 2.566 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653124246 565955304 /nfs/dbraw/zinc/95/53/04/565955304.db2.gz VKYMQJOCPJRBKP-INIZCTEOSA-N 2 1 394.357 2.919 20 0 GFADMP O=C(NCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Br)cc1 ZINC000677237072 565965796 /nfs/dbraw/zinc/96/57/96/565965796.db2.gz AMFIEPLZTPHHJU-IRXDYDNUSA-N 2 1 380.330 2.785 20 0 GFADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000828467581 604238420 /nfs/dbraw/zinc/23/84/20/604238420.db2.gz ZGYGHYMVUOIWBG-LJQANCHMSA-N 2 1 380.577 2.505 20 0 GFADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@H]1CCCN(C(=O)[O-])C1 ZINC000828467581 604238422 /nfs/dbraw/zinc/23/84/22/604238422.db2.gz ZGYGHYMVUOIWBG-LJQANCHMSA-N 2 1 380.577 2.505 20 0 GFADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824626127 609332261 /nfs/dbraw/zinc/33/22/61/609332261.db2.gz MGCLXVCXRQESCG-AWEZNQCLSA-N 2 1 384.459 2.797 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330795 609423957 /nfs/dbraw/zinc/42/39/57/609423957.db2.gz IOTWLBIEFCLELH-VBKZILBWSA-N 2 1 389.463 2.745 20 0 GFADMP Cc1cnc(Br)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000822737677 660353137 /nfs/dbraw/zinc/35/31/37/660353137.db2.gz MVZVKPJHEVHBQA-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1cnc(Br)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000822737677 660353139 /nfs/dbraw/zinc/35/31/39/660353139.db2.gz MVZVKPJHEVHBQA-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000834904030 660837508 /nfs/dbraw/zinc/83/75/08/660837508.db2.gz MGTVXCHLYZOOPS-DXJOGWAWSA-N 2 1 397.357 2.824 20 0 GFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193533 655105555 /nfs/dbraw/zinc/10/55/55/655105555.db2.gz YKHZRBQWCYWDPI-STQMWFEESA-N 2 1 376.469 2.684 20 0 GFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193533 655105557 /nfs/dbraw/zinc/10/55/57/655105557.db2.gz YKHZRBQWCYWDPI-STQMWFEESA-N 2 1 376.469 2.684 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000119370772 655301196 /nfs/dbraw/zinc/30/11/96/655301196.db2.gz MXQWZTGRNODPPO-YQQAZPJKSA-N 2 1 387.615 2.639 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978606 655363820 /nfs/dbraw/zinc/36/38/20/655363820.db2.gz BNDYUKSJDCWEHX-YVEFUNNKSA-N 2 1 379.302 2.580 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]CCC(=O)Nc2cccc(Br)c2)CCCO1 ZINC000574271554 655427691 /nfs/dbraw/zinc/42/76/91/655427691.db2.gz ZDBRKXGNEUZMRN-HNNXBMFYSA-N 2 1 398.345 2.868 20 0 GFADMP Cc1c(Br)cccc1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000578642976 655483736 /nfs/dbraw/zinc/48/37/36/655483736.db2.gz IXCWRQFSZNKBKL-UHFFFAOYSA-N 2 1 390.329 2.589 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624553 655599332 /nfs/dbraw/zinc/59/93/32/655599332.db2.gz QYGIPTUKCKPFBD-QGZVFWFLSA-N 2 1 384.659 2.687 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843364256 661378906 /nfs/dbraw/zinc/37/89/06/661378906.db2.gz XHUFWQGROOYDOM-AWEZNQCLSA-N 2 1 380.330 2.702 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844903153 661448982 /nfs/dbraw/zinc/44/89/82/661448982.db2.gz TYEWLDGIBKRNEJ-GMXVVIOVSA-N 2 1 380.842 2.811 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1Cl ZINC000844903153 661448983 /nfs/dbraw/zinc/44/89/83/661448983.db2.gz TYEWLDGIBKRNEJ-GMXVVIOVSA-N 2 1 380.842 2.811 20 0 GFADMP C[C@H](c1ccc(Br)cc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550158 662336252 /nfs/dbraw/zinc/33/62/52/662336252.db2.gz ZQHZDXJCWXOBIB-JLZZUVOBSA-N 2 1 394.313 2.767 20 0 GFADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876930928 662868384 /nfs/dbraw/zinc/86/83/84/662868384.db2.gz HHDUCDFVAQNGOR-LBPRGKRZSA-N 2 1 375.742 2.613 20 0 GFADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877083874 662870906 /nfs/dbraw/zinc/87/09/06/662870906.db2.gz BUVKVPGDSWRWRH-UHFFFAOYSA-N 2 1 376.726 2.822 20 0 GFADMP CC(C)C[N@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000877767387 662883177 /nfs/dbraw/zinc/88/31/77/662883177.db2.gz GTLCXWNTBGJXPU-UHFFFAOYSA-N 2 1 387.977 2.787 20 0 GFADMP C[NH+]1CCC(NC(=O)C[N@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000877917944 662885910 /nfs/dbraw/zinc/88/59/10/662885910.db2.gz KJITXDURRBAQTM-UHFFFAOYSA-N 2 1 380.330 2.624 20 0 GFADMP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000877917944 662885912 /nfs/dbraw/zinc/88/59/12/662885912.db2.gz KJITXDURRBAQTM-UHFFFAOYSA-N 2 1 380.330 2.624 20 0 GFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000902374655 663760342 /nfs/dbraw/zinc/76/03/42/663760342.db2.gz CCRZANJYVHZESD-ZDUSSCGKSA-N 2 1 378.460 2.977 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387839 664598239 /nfs/dbraw/zinc/59/82/39/664598239.db2.gz BHPRWQMJYPDEIK-LFVTVUPYSA-N 2 1 383.330 2.724 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391232 664598527 /nfs/dbraw/zinc/59/85/27/664598527.db2.gz VBZKQTBJGJGNDL-NCZKRNLISA-N 2 1 388.375 2.783 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391232 664598528 /nfs/dbraw/zinc/59/85/28/664598528.db2.gz VBZKQTBJGJGNDL-NCZKRNLISA-N 2 1 388.375 2.783 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330698 664628420 /nfs/dbraw/zinc/62/84/20/664628420.db2.gz CKBWTASHIXQQHX-CJNGLKHVSA-N 2 1 389.721 2.528 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000923330698 664628421 /nfs/dbraw/zinc/62/84/21/664628421.db2.gz CKBWTASHIXQQHX-CJNGLKHVSA-N 2 1 389.721 2.528 20 0 GFADMP O[C@H](CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000923431478 664630405 /nfs/dbraw/zinc/63/04/05/664630405.db2.gz QJFKEOSPGOQAPF-JTDSTZFVSA-N 2 1 384.351 2.927 20 0 GFADMP [NH3+]C1([C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164628781 719117960 /nfs/dbraw/zinc/11/79/60/719117960.db2.gz OCDDALBOTKZSQN-HKUYNNGSSA-N 2 1 381.499 2.548 20 0 GFADMP [NH3+]C1([C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164628781 719117968 /nfs/dbraw/zinc/11/79/68/719117968.db2.gz OCDDALBOTKZSQN-HKUYNNGSSA-N 2 1 381.499 2.548 20 0 GFADMP COc1ccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c(C)nc2c1 ZINC001164679770 719643406 /nfs/dbraw/zinc/64/34/06/719643406.db2.gz MQBGHBJZGVINJL-UHFFFAOYSA-N 2 1 380.496 2.618 20 0 GFADMP COc1ccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c(C)nc2c1 ZINC001164679770 719643409 /nfs/dbraw/zinc/64/34/09/719643409.db2.gz MQBGHBJZGVINJL-UHFFFAOYSA-N 2 1 380.496 2.618 20 0 GFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4C)CC[C@@H]21 ZINC001164832813 720517805 /nfs/dbraw/zinc/51/78/05/720517805.db2.gz BLMXYNJHEWLPCI-AOIWGVFYSA-N 2 1 379.512 2.543 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3[nH+]cnc4c3ccn4C)CC[C@@H]21 ZINC001164832813 720517810 /nfs/dbraw/zinc/51/78/10/720517810.db2.gz BLMXYNJHEWLPCI-AOIWGVFYSA-N 2 1 379.512 2.543 20 0 GFADMP COc1cc2c[nH+]c(N3Cc4nccn4C[C@@H](C[NH+](C)C)C3)cc2cc1OC ZINC001164735181 720526643 /nfs/dbraw/zinc/52/66/43/720526643.db2.gz VTGCEKAZARKQCA-OAHLLOKOSA-N 2 1 381.480 2.647 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-n4ccnc4)cc[nH+]3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164841477 720627004 /nfs/dbraw/zinc/62/70/04/720627004.db2.gz SFSBNPDVJMDCJX-SESVDKBCSA-N 2 1 391.523 2.842 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164738006 720823835 /nfs/dbraw/zinc/82/38/35/720823835.db2.gz DIGPCEOZLWCVGH-JAXLGGSGSA-N 2 1 392.551 2.931 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164738006 720823838 /nfs/dbraw/zinc/82/38/38/720823838.db2.gz DIGPCEOZLWCVGH-JAXLGGSGSA-N 2 1 392.551 2.931 20 0 GFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]2C1 ZINC001164859551 720858975 /nfs/dbraw/zinc/85/89/75/720858975.db2.gz UHNVTHDMNKITEG-XLIONFOSSA-N 2 1 399.539 2.720 20 0 GFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]2C1 ZINC001164859551 720858977 /nfs/dbraw/zinc/85/89/77/720858977.db2.gz UHNVTHDMNKITEG-XLIONFOSSA-N 2 1 399.539 2.720 20 0 GFADMP C[N@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164909381 721747430 /nfs/dbraw/zinc/74/74/30/721747430.db2.gz QKZYZGNQSBOHBK-UHFFFAOYSA-N 2 1 389.503 2.910 20 0 GFADMP C[N@@H+](Cc1ccco1)Cc1cncc2c1CCN(c1ccc3c(n1)CC[NH2+]C3)C2 ZINC001164909381 721747431 /nfs/dbraw/zinc/74/74/31/721747431.db2.gz QKZYZGNQSBOHBK-UHFFFAOYSA-N 2 1 389.503 2.910 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982363 722107369 /nfs/dbraw/zinc/10/73/69/722107369.db2.gz NZCNGVGWOZPRFT-WIYYLYMNSA-N 2 1 377.492 2.696 20 0 GFADMP c1cncc(C[N@H+]2CCO[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[C@H]3C2)c1 ZINC001164985508 722130830 /nfs/dbraw/zinc/13/08/30/722130830.db2.gz ZRJXBKIRFQOACY-RBBKRZOGSA-N 2 1 393.535 2.804 20 0 GFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000130568382 551366461 /nfs/dbraw/zinc/36/64/61/551366461.db2.gz VYDRAUCIYDKOPK-MRXNPFEDSA-N 2 1 382.302 2.716 20 0 GFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000130568382 551366462 /nfs/dbraw/zinc/36/64/62/551366462.db2.gz VYDRAUCIYDKOPK-MRXNPFEDSA-N 2 1 382.302 2.716 20 0 GFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000153784242 551460710 /nfs/dbraw/zinc/46/07/10/551460710.db2.gz NOEIKIZUMHBOBY-CYBMUJFWSA-N 2 1 376.282 2.910 20 0 GFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181458959 552256992 /nfs/dbraw/zinc/25/69/92/552256992.db2.gz OSAXTBYUFPHKPT-WMLDXEAASA-N 2 1 382.346 2.858 20 0 GFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000181458959 552256993 /nfs/dbraw/zinc/25/69/93/552256993.db2.gz OSAXTBYUFPHKPT-WMLDXEAASA-N 2 1 382.346 2.858 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000247021955 553117339 /nfs/dbraw/zinc/11/73/39/553117339.db2.gz MXQWZTGRNODPPO-HLLBOEOZSA-N 2 1 387.615 2.639 20 0 GFADMP O=C(CC[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000261672824 553155953 /nfs/dbraw/zinc/15/59/53/553155953.db2.gz AUMOHDMPMWSRMJ-OAHLLOKOSA-N 2 1 394.357 2.919 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718889 553157590 /nfs/dbraw/zinc/15/75/90/553157590.db2.gz JVFNIGPPAOSPFS-QWQRMKEZSA-N 2 1 382.346 2.860 20 0 GFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871596 553161754 /nfs/dbraw/zinc/16/17/54/553161754.db2.gz XWYQJOLDYWKNCN-KSSFIOAISA-N 2 1 382.346 2.717 20 0 GFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871601 553161774 /nfs/dbraw/zinc/16/17/74/553161774.db2.gz XWYQJOLDYWKNCN-RDTXWAMCSA-N 2 1 382.346 2.717 20 0 GFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938460 563351552 /nfs/dbraw/zinc/35/15/52/563351552.db2.gz KXCYQCRXUXPIRL-VUCTXSBTSA-N 2 1 377.282 2.923 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101292 563405359 /nfs/dbraw/zinc/40/53/59/563405359.db2.gz ZLLCGDOKYBAPFP-UKRRQHHQSA-N 2 1 397.361 2.583 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000376694174 563450994 /nfs/dbraw/zinc/45/09/94/563450994.db2.gz FJHYBRKQSYULOE-HHXXYDBFSA-N 2 1 381.973 2.934 20 0 GFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430559953 563545064 /nfs/dbraw/zinc/54/50/64/563545064.db2.gz UVAKNZFLNZNAGW-OFQRWUPVSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430559953 563545066 /nfs/dbraw/zinc/54/50/66/563545066.db2.gz UVAKNZFLNZNAGW-OFQRWUPVSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332267003 563588837 /nfs/dbraw/zinc/58/88/37/563588837.db2.gz HYYXKKRFCZTCRL-YVEFUNNKSA-N 2 1 385.339 2.946 20 0 GFADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccnc(Cl)c2Cl)c1 ZINC000290324082 563705205 /nfs/dbraw/zinc/70/52/05/563705205.db2.gz ADQROISWKWMPSU-UHFFFAOYSA-N 2 1 381.307 2.970 20 0 GFADMP CC[C@H]1Cc2c(Br)cccc2C[N@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759389 563752862 /nfs/dbraw/zinc/75/28/62/563752862.db2.gz ODXTYNGIDJTODI-HOCLYGCPSA-N 2 1 394.357 2.783 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414928632 563754429 /nfs/dbraw/zinc/75/44/29/563754429.db2.gz NALRRBWBVTZVTL-FZKQIMNGSA-N 2 1 394.357 2.950 20 0 GFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348558 563758031 /nfs/dbraw/zinc/75/80/31/563758031.db2.gz CNBBOUKKHOFVAH-IRXDYDNUSA-N 2 1 385.346 2.995 20 0 GFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348558 563758034 /nfs/dbraw/zinc/75/80/34/563758034.db2.gz CNBBOUKKHOFVAH-IRXDYDNUSA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348558 563758037 /nfs/dbraw/zinc/75/80/37/563758037.db2.gz CNBBOUKKHOFVAH-IRXDYDNUSA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348558 563758040 /nfs/dbraw/zinc/75/80/40/563758040.db2.gz CNBBOUKKHOFVAH-IRXDYDNUSA-N 2 1 385.346 2.995 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844667 563879897 /nfs/dbraw/zinc/87/98/97/563879897.db2.gz HVUCOXCDRDCABS-SWLSCSKDSA-N 2 1 377.286 2.886 20 0 GFADMP COCC[NH+]1CCC([NH2+]Cc2cc(Br)c(OC)c(OC)c2)CC1 ZINC000537975856 564179483 /nfs/dbraw/zinc/17/94/83/564179483.db2.gz DLAWNCWPONPBIC-UHFFFAOYSA-N 2 1 387.318 2.667 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000505806211 564191034 /nfs/dbraw/zinc/19/10/34/564191034.db2.gz DKBUXKADAXQVKB-CQSZACIVSA-N 2 1 388.375 2.999 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449681572 564195819 /nfs/dbraw/zinc/19/58/19/564195819.db2.gz MCAGDCGOMRWKSK-JCGIZDLHSA-N 2 1 397.357 2.825 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1C ZINC000508075396 564252627 /nfs/dbraw/zinc/25/26/27/564252627.db2.gz INCUEIMKCTVPKJ-QGZVFWFLSA-N 2 1 387.977 2.685 20 0 GFADMP CC(C)(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000510986443 564352842 /nfs/dbraw/zinc/35/28/42/564352842.db2.gz PFTHOHWVYNERFY-UHFFFAOYSA-N 2 1 391.940 2.610 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000545344211 564417722 /nfs/dbraw/zinc/41/77/22/564417722.db2.gz XFYGWVJMEDNRKO-UHFFFAOYSA-N 2 1 391.313 2.820 20 0 GFADMP CC[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665783 564519079 /nfs/dbraw/zinc/51/90/79/564519079.db2.gz DJNPDPTZQCEIOI-DQYPLSBCSA-N 2 1 385.961 2.772 20 0 GFADMP CC[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665783 564519083 /nfs/dbraw/zinc/51/90/83/564519083.db2.gz DJNPDPTZQCEIOI-DQYPLSBCSA-N 2 1 385.961 2.772 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3ccc(Br)cc3)CC2)CC1 ZINC000571063265 564534655 /nfs/dbraw/zinc/53/46/55/564534655.db2.gz ASLSLUGCEPQMCO-UHFFFAOYSA-N 2 1 394.357 2.793 20 0 GFADMP CC(C)[N@@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@H]1C ZINC000456374786 564603804 /nfs/dbraw/zinc/60/38/04/564603804.db2.gz QOBRQTZKBUUDEZ-CQSZACIVSA-N 2 1 397.361 2.868 20 0 GFADMP CC(C)[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456374786 564603807 /nfs/dbraw/zinc/60/38/07/564603807.db2.gz QOBRQTZKBUUDEZ-CQSZACIVSA-N 2 1 397.361 2.868 20 0 GFADMP CC(C)[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC000456374786 564603810 /nfs/dbraw/zinc/60/38/10/564603810.db2.gz QOBRQTZKBUUDEZ-CQSZACIVSA-N 2 1 397.361 2.868 20 0 GFADMP Cn1ccnc1[C@H]1CCN(CC(=O)NCCc2cccc(Cl)c2Cl)C1 ZINC000573979745 564662709 /nfs/dbraw/zinc/66/27/09/564662709.db2.gz SUJBZUAJOIPILA-AWEZNQCLSA-N 2 1 381.307 2.875 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552226032 564682506 /nfs/dbraw/zinc/68/25/06/564682506.db2.gz USVBXYNWXASQNG-ULQDDVLXSA-N 2 1 380.330 2.641 20 0 GFADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Br)cc1F ZINC000577512523 564736152 /nfs/dbraw/zinc/73/61/52/564736152.db2.gz BITVGACRSCOWQJ-CYBMUJFWSA-N 2 1 384.293 2.848 20 0 GFADMP OC1CC[NH+](CCC[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527644531 564753250 /nfs/dbraw/zinc/75/32/50/564753250.db2.gz IHYBRNFZYZYJEA-UHFFFAOYSA-N 2 1 399.358 2.837 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076277 564812416 /nfs/dbraw/zinc/81/24/16/564812416.db2.gz LWZQTFAFDWHKHQ-DGCLKSJQSA-N 2 1 386.359 2.675 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076277 564812418 /nfs/dbraw/zinc/81/24/18/564812418.db2.gz LWZQTFAFDWHKHQ-DGCLKSJQSA-N 2 1 386.359 2.675 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000582355363 564842909 /nfs/dbraw/zinc/84/29/09/564842909.db2.gz IASHRHYMRSIXAC-BBRMVZONSA-N 2 1 382.302 2.620 20 0 GFADMP Brc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000530239648 564872986 /nfs/dbraw/zinc/87/29/86/564872986.db2.gz HKJQFFFIRJFDKH-HNNXBMFYSA-N 2 1 397.313 2.768 20 0 GFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531173 564964877 /nfs/dbraw/zinc/96/48/77/564964877.db2.gz QZCPVAGAQVIQIS-CZUORRHYSA-N 2 1 393.329 2.619 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531173 564964880 /nfs/dbraw/zinc/96/48/80/564964880.db2.gz QZCPVAGAQVIQIS-CZUORRHYSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531173 564964884 /nfs/dbraw/zinc/96/48/84/564964884.db2.gz QZCPVAGAQVIQIS-CZUORRHYSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531173 564964886 /nfs/dbraw/zinc/96/48/86/564964886.db2.gz QZCPVAGAQVIQIS-CZUORRHYSA-N 2 1 393.329 2.619 20 0 GFADMP O=C([C@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1)N1CC[NH2+]CC1 ZINC000470004356 565034525 /nfs/dbraw/zinc/03/45/25/565034525.db2.gz XOTBESMMAOQYSD-AWEZNQCLSA-N 2 1 376.551 2.515 20 0 GFADMP O=C([C@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1)N1CC[NH2+]CC1 ZINC000470004356 565034528 /nfs/dbraw/zinc/03/45/28/565034528.db2.gz XOTBESMMAOQYSD-AWEZNQCLSA-N 2 1 376.551 2.515 20 0 GFADMP COc1ccccc1[C@H]([NH3+])CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659298748 565212030 /nfs/dbraw/zinc/21/20/30/565212030.db2.gz ALORCXNJHBXSNI-LLVKDONJSA-N 2 1 396.310 2.552 20 0 GFADMP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@H]21 ZINC000662502159 565372378 /nfs/dbraw/zinc/37/23/78/565372378.db2.gz JSOGNIDOOQMVKG-ZYHUDNBSSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@H]21 ZINC000662502159 565372383 /nfs/dbraw/zinc/37/23/83/565372383.db2.gz JSOGNIDOOQMVKG-ZYHUDNBSSA-N 2 1 384.343 2.670 20 0 GFADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662536395 565376186 /nfs/dbraw/zinc/37/61/86/565376186.db2.gz LIJCGZJMRNZJQU-WBMJQRKESA-N 2 1 376.328 2.727 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643507965 565434181 /nfs/dbraw/zinc/43/41/81/565434181.db2.gz XJSREDFJKUJFGQ-UHFFFAOYSA-N 2 1 380.330 2.704 20 0 GFADMP Ic1ccc([C@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884385 565496734 /nfs/dbraw/zinc/49/67/34/565496734.db2.gz FDXGOXHJSQCNDT-JKSUJKDBSA-N 2 1 398.288 2.949 20 0 GFADMP Ic1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884385 565496736 /nfs/dbraw/zinc/49/67/36/565496736.db2.gz FDXGOXHJSQCNDT-JKSUJKDBSA-N 2 1 398.288 2.949 20 0 GFADMP Cc1ncc(Br)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000667189082 565575701 /nfs/dbraw/zinc/57/57/01/565575701.db2.gz AUAPCVWPGNJAJT-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1ncc(Br)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000667189082 565575703 /nfs/dbraw/zinc/57/57/03/565575703.db2.gz AUAPCVWPGNJAJT-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000671678013 565778802 /nfs/dbraw/zinc/77/88/02/565778802.db2.gz AKIUIVZFEBGDGH-INMHGKMJSA-N 2 1 392.341 2.713 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723195 565834337 /nfs/dbraw/zinc/83/43/37/565834337.db2.gz ITLUKOGBVDFJRX-DJIMGWMZSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723195 565834341 /nfs/dbraw/zinc/83/43/41/565834341.db2.gz ITLUKOGBVDFJRX-DJIMGWMZSA-N 2 1 393.329 2.958 20 0 GFADMP CCC[N@@H+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930747 566096424 /nfs/dbraw/zinc/09/64/24/566096424.db2.gz UBARLQKNQWZNEU-KGLIPLIRSA-N 2 1 380.842 2.912 20 0 GFADMP COc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946589 660212468 /nfs/dbraw/zinc/21/24/68/660212468.db2.gz AEHFENOGIFSADK-OBJOEFQTSA-N 2 1 376.469 2.730 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061328 660245005 /nfs/dbraw/zinc/24/50/05/660245005.db2.gz KTDXFSVVISTFJC-ROUUACIJSA-N 2 1 383.330 2.716 20 0 GFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](C[C@@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000827778057 660514199 /nfs/dbraw/zinc/51/41/99/660514199.db2.gz MEGFVNMHPXKXCA-QGZVFWFLSA-N 2 1 376.372 2.837 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(Br)c1 ZINC000836698239 660933213 /nfs/dbraw/zinc/93/32/13/660933213.db2.gz OOORCGUSTGULKL-OAHLLOKOSA-N 2 1 398.349 2.724 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764824 661184974 /nfs/dbraw/zinc/18/49/74/661184974.db2.gz AODZXJVJJJLDPN-WMZOPIPTSA-N 2 1 380.627 2.960 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000747362834 655777918 /nfs/dbraw/zinc/77/79/18/655777918.db2.gz KJUOFUCGADWGMS-IAGOWNOFSA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362834 655777920 /nfs/dbraw/zinc/77/79/20/655777920.db2.gz KJUOFUCGADWGMS-IAGOWNOFSA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362834 655777922 /nfs/dbraw/zinc/77/79/22/655777922.db2.gz KJUOFUCGADWGMS-IAGOWNOFSA-N 2 1 380.627 2.909 20 0 GFADMP Cn1nc(Br)cc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000785456075 657366088 /nfs/dbraw/zinc/36/60/88/657366088.db2.gz VYQBFULEXSKHQN-INIZCTEOSA-N 2 1 377.330 2.837 20 0 GFADMP Cn1nc(Br)cc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000785456075 657366093 /nfs/dbraw/zinc/36/60/93/657366093.db2.gz VYQBFULEXSKHQN-INIZCTEOSA-N 2 1 377.330 2.837 20 0 GFADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000786749043 657460853 /nfs/dbraw/zinc/46/08/53/657460853.db2.gz VULYBSCKYIITSU-NSHDSACASA-N 2 1 380.798 2.861 20 0 GFADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2ccc(Cl)nc2C(F)(F)F)C1 ZINC000786749043 657460857 /nfs/dbraw/zinc/46/08/57/657460857.db2.gz VULYBSCKYIITSU-NSHDSACASA-N 2 1 380.798 2.861 20 0 GFADMP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1SC(F)(F)F ZINC000842475341 661341135 /nfs/dbraw/zinc/34/11/35/661341135.db2.gz PGLWZNOVWYUFDS-CQSZACIVSA-N 2 1 375.460 2.787 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843363587 661378572 /nfs/dbraw/zinc/37/85/72/661378572.db2.gz AGJGPQKWDRVFTC-UHFFFAOYSA-N 2 1 386.359 2.545 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000872148958 662756778 /nfs/dbraw/zinc/75/67/78/662756778.db2.gz LTYMRYAIBGNWLF-MFKMUULPSA-N 2 1 394.235 2.847 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229917 663067396 /nfs/dbraw/zinc/06/73/96/663067396.db2.gz DMVVIQXHVPPRDW-YOEHRIQHSA-N 2 1 380.330 2.639 20 0 GFADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCCO2 ZINC000903955258 663813686 /nfs/dbraw/zinc/81/36/86/663813686.db2.gz NZIZBUCNKOTRBD-GFCCVEGCSA-N 2 1 391.256 2.945 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C(CCC(F)(F)F)CCC(F)(F)F)CC1 ZINC000924946867 664664313 /nfs/dbraw/zinc/66/43/13/664664313.db2.gz ZMEUIWVJXGYFFK-UHFFFAOYSA-N 2 1 377.373 2.794 20 0 GFADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999498 664665003 /nfs/dbraw/zinc/66/50/03/664665003.db2.gz JDFLXSADWZPBQP-YOEHRIQHSA-N 2 1 394.357 2.790 20 0 GFADMP CCOC(=O)c1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1Cl ZINC001164684029 719604496 /nfs/dbraw/zinc/60/44/96/719604496.db2.gz LZKLUQJLFHFVNV-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CCOC(=O)c1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)ncc1Cl ZINC001164684029 719604508 /nfs/dbraw/zinc/60/45/08/719604508.db2.gz LZKLUQJLFHFVNV-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)[nH+]c(C)n1)C2 ZINC001164805921 720078657 /nfs/dbraw/zinc/07/86/57/720078657.db2.gz AVEMAAPEVADFHS-DENIHFKCSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805921 720078662 /nfs/dbraw/zinc/07/86/62/720078662.db2.gz AVEMAAPEVADFHS-DENIHFKCSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCCC3)nc(C)[nH+]1)C2 ZINC001164805921 720078668 /nfs/dbraw/zinc/07/86/68/720078668.db2.gz AVEMAAPEVADFHS-DENIHFKCSA-N 2 1 385.556 2.570 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+]3CCCC3)cn1)C2 ZINC001164816074 720164458 /nfs/dbraw/zinc/16/44/58/720164458.db2.gz KGLNPPAWRYYBCW-FYYLOGMGSA-N 2 1 384.568 2.862 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164751078 720832571 /nfs/dbraw/zinc/83/25/71/720832571.db2.gz YIWIQAJMVVTINC-LVCYWYKZSA-N 2 1 391.523 2.842 20 0 GFADMP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164903093 721560633 /nfs/dbraw/zinc/56/06/33/721560633.db2.gz AIECJTZBVNOACL-ICSRJNTNSA-N 2 1 379.439 2.748 20 0 GFADMP Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165023944 721832600 /nfs/dbraw/zinc/83/26/00/721832600.db2.gz IWEDEHBJGPLGAB-IOMROCGXSA-N 2 1 392.551 2.604 20 0 GFADMP c1cncc(C[N@H+]2CCC3(C2)CCN(c2nccc(C4CC[NH2+]CC4)n2)CC3)c1 ZINC001164955628 722019786 /nfs/dbraw/zinc/01/97/86/722019786.db2.gz KXMQKAUIMDUXBG-UHFFFAOYSA-N 2 1 392.551 2.831 20 0 GFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000130568162 551366473 /nfs/dbraw/zinc/36/64/73/551366473.db2.gz VYDRAUCIYDKOPK-INIZCTEOSA-N 2 1 382.302 2.716 20 0 GFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)COc1ccc(Br)cc1 ZINC000130568162 551366474 /nfs/dbraw/zinc/36/64/74/551366474.db2.gz VYDRAUCIYDKOPK-INIZCTEOSA-N 2 1 382.302 2.716 20 0 GFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ncc(Br)cc1F ZINC000187164450 552408355 /nfs/dbraw/zinc/40/83/55/552408355.db2.gz NQGSSSMDWPXYHB-ZDUSSCGKSA-N 2 1 387.341 2.907 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636385 553154684 /nfs/dbraw/zinc/15/46/84/553154684.db2.gz HWNFNJQKQSMNBY-YOEHRIQHSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261636385 553154686 /nfs/dbraw/zinc/15/46/86/553154686.db2.gz HWNFNJQKQSMNBY-YOEHRIQHSA-N 2 1 398.320 2.668 20 0 GFADMP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000261745084 553157976 /nfs/dbraw/zinc/15/79/76/553157976.db2.gz MDGLQRZAJFLXDT-GLJUWKHASA-N 2 1 382.346 2.860 20 0 GFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187534 563326638 /nfs/dbraw/zinc/32/66/38/563326638.db2.gz CTCWGJIKJWBUJC-GUYCJALGSA-N 2 1 385.961 2.773 20 0 GFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280187534 563326641 /nfs/dbraw/zinc/32/66/41/563326641.db2.gz CTCWGJIKJWBUJC-GUYCJALGSA-N 2 1 385.961 2.773 20 0 GFADMP CC[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156185 563357873 /nfs/dbraw/zinc/35/78/73/563357873.db2.gz MGVIYINAYIAWNZ-PVAVHDDUSA-N 2 1 385.346 2.729 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427099636 563459797 /nfs/dbraw/zinc/45/97/97/563459797.db2.gz IJNOOZGUVCDMHW-BBRMVZONSA-N 2 1 386.277 2.744 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898346 563490348 /nfs/dbraw/zinc/49/03/48/563490348.db2.gz BQWFSBOHTWCFFG-MOPGFXCFSA-N 2 1 396.373 2.583 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898346 563490350 /nfs/dbraw/zinc/49/03/50/563490350.db2.gz BQWFSBOHTWCFFG-MOPGFXCFSA-N 2 1 396.373 2.583 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434676 563506699 /nfs/dbraw/zinc/50/66/99/563506699.db2.gz SZYCSFSBYJXOFV-YEWWUXTCSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(S(N)(=O)=O)cc1 ZINC000378434676 563506700 /nfs/dbraw/zinc/50/67/00/563506700.db2.gz SZYCSFSBYJXOFV-YEWWUXTCSA-N 2 1 379.551 2.739 20 0 GFADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000434881241 563639724 /nfs/dbraw/zinc/63/97/24/563639724.db2.gz TZVSKJSOHRVXPA-QZTJIDSGSA-N 2 1 381.973 2.906 20 0 GFADMP CCC[N@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412977487 563678095 /nfs/dbraw/zinc/67/80/95/563678095.db2.gz XLRVEOXCRUXCEW-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412977487 563678098 /nfs/dbraw/zinc/67/80/98/563678098.db2.gz XLRVEOXCRUXCEW-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP CCC[N@H+](Cc1ccccc1Br)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736118 563751468 /nfs/dbraw/zinc/75/14/68/563751468.db2.gz CSYQVXXHRSYAFE-OAHLLOKOSA-N 2 1 382.346 2.858 20 0 GFADMP CC[N@H+](Cc1cc(Br)ccc1F)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751586 563751621 /nfs/dbraw/zinc/75/16/21/563751621.db2.gz SQXLILCKDWSZNC-CYBMUJFWSA-N 2 1 386.309 2.607 20 0 GFADMP C[C@@H](C[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccc(Cl)c(Cl)c1 ZINC000414739667 563751777 /nfs/dbraw/zinc/75/17/77/563751777.db2.gz JDDWAUFMPMFTNV-KBPBESRZSA-N 2 1 388.339 2.890 20 0 GFADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743969 563752142 /nfs/dbraw/zinc/75/21/42/563752142.db2.gz NUNAJORTWBHELR-NVXWUHKLSA-N 2 1 396.373 2.899 20 0 GFADMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939007 563754487 /nfs/dbraw/zinc/75/44/87/563754487.db2.gz FXOOJTILWLMGOU-CXAGYDPISA-N 2 1 384.318 2.524 20 0 GFADMP COC[C@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939655 563754649 /nfs/dbraw/zinc/75/46/49/563754649.db2.gz GSAKEIOCVSVYKK-CXAGYDPISA-N 2 1 384.318 2.524 20 0 GFADMP Brc1cnc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c(Br)c1 ZINC000368080764 563863108 /nfs/dbraw/zinc/86/31/08/563863108.db2.gz IBJIRUXZSWYIJG-VIFPVBQESA-N 2 1 386.091 2.977 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000472292547 564219267 /nfs/dbraw/zinc/21/92/67/564219267.db2.gz IOJBUJWFKHFBDA-OAHLLOKOSA-N 2 1 387.977 2.793 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000472292547 564219271 /nfs/dbraw/zinc/21/92/71/564219271.db2.gz IOJBUJWFKHFBDA-OAHLLOKOSA-N 2 1 387.977 2.793 20 0 GFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000542842722 564329056 /nfs/dbraw/zinc/32/90/56/564329056.db2.gz XITGXUGLXUSIHM-WBVHZDCISA-N 2 1 385.599 2.659 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045886 564355061 /nfs/dbraw/zinc/35/50/61/564355061.db2.gz JCLYSOFSTXUKTN-WWGRRREGSA-N 2 1 388.293 2.988 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ncc(I)s1 ZINC000512061482 564390226 /nfs/dbraw/zinc/39/02/26/564390226.db2.gz YEQXELZXEBXECU-VIFPVBQESA-N 2 1 376.267 2.679 20 0 GFADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894676 564395490 /nfs/dbraw/zinc/39/54/90/564395490.db2.gz NLQWBBWUJOYTMI-OLZOCXBDSA-N 2 1 384.293 2.848 20 0 GFADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894676 564395493 /nfs/dbraw/zinc/39/54/93/564395493.db2.gz NLQWBBWUJOYTMI-OLZOCXBDSA-N 2 1 384.293 2.848 20 0 GFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(I)c1 ZINC000453083967 564445488 /nfs/dbraw/zinc/44/54/88/564445488.db2.gz GQLDJIBAAQKNQS-DGCLKSJQSA-N 2 1 392.256 2.538 20 0 GFADMP C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215921 564496491 /nfs/dbraw/zinc/49/64/91/564496491.db2.gz MDOFNSARJKPNKM-ZFWWWQNUSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570215921 564496496 /nfs/dbraw/zinc/49/64/96/564496496.db2.gz MDOFNSARJKPNKM-ZFWWWQNUSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752938 564609478 /nfs/dbraw/zinc/60/94/78/564609478.db2.gz PAJUVOREHAHMHE-HOCLYGCPSA-N 2 1 391.339 2.824 20 0 GFADMP Cn1ccnc1[C@@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318151 564797453 /nfs/dbraw/zinc/79/74/53/564797453.db2.gz CVDPUBIXFUYNEU-DOMZBBRYSA-N 2 1 398.276 2.551 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000462039946 564812766 /nfs/dbraw/zinc/81/27/66/564812766.db2.gz KQBVMJZYJTYLFU-KRWDZBQOSA-N 2 1 382.346 2.728 20 0 GFADMP COc1ccc(Br)cc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000556888940 564845188 /nfs/dbraw/zinc/84/51/88/564845188.db2.gz LDUPZMZZZMNEFH-UHFFFAOYSA-N 2 1 398.345 2.540 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2cccc(Br)c2)CC1 ZINC000463424566 564880346 /nfs/dbraw/zinc/88/03/46/564880346.db2.gz QGJGVIMVPORKGR-UHFFFAOYSA-N 2 1 382.346 2.524 20 0 GFADMP COCC[N@@H+](C)C[C@@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000583270977 564883121 /nfs/dbraw/zinc/88/31/21/564883121.db2.gz ISPDXLUIFKMRGQ-MRXNPFEDSA-N 2 1 385.346 2.568 20 0 GFADMP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1(C)C ZINC000583261810 564883358 /nfs/dbraw/zinc/88/33/58/564883358.db2.gz ITJOBBQTXCRBGN-CRAIPNDOSA-N 2 1 398.345 2.982 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)C(=O)[C@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038049 564889723 /nfs/dbraw/zinc/88/97/23/564889723.db2.gz QINAIEQUWWMSTC-IRXDYDNUSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)[C@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038049 564889725 /nfs/dbraw/zinc/88/97/25/564889725.db2.gz QINAIEQUWWMSTC-IRXDYDNUSA-N 2 1 381.611 2.774 20 0 GFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838211 565044698 /nfs/dbraw/zinc/04/46/98/565044698.db2.gz BTXUTPJLUQMYME-FUHWJXTLSA-N 2 1 396.329 2.606 20 0 GFADMP CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505665 565242494 /nfs/dbraw/zinc/24/24/94/565242494.db2.gz LZMYOGGACDEETI-AWEZNQCLSA-N 2 1 387.366 2.833 20 0 GFADMP CC(C)n1cc(Br)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505665 565242497 /nfs/dbraw/zinc/24/24/97/565242497.db2.gz LZMYOGGACDEETI-AWEZNQCLSA-N 2 1 387.366 2.833 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)CNC3)C1 ZINC000662589789 565378297 /nfs/dbraw/zinc/37/82/97/565378297.db2.gz FCACXYPBAGGOEL-JTQLQIEISA-N 2 1 386.359 2.964 20 0 GFADMP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662589789 565378300 /nfs/dbraw/zinc/37/83/00/565378300.db2.gz FCACXYPBAGGOEL-JTQLQIEISA-N 2 1 386.359 2.964 20 0 GFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662589789 565378304 /nfs/dbraw/zinc/37/83/04/565378304.db2.gz FCACXYPBAGGOEL-JTQLQIEISA-N 2 1 386.359 2.964 20 0 GFADMP Ic1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595885280 565495999 /nfs/dbraw/zinc/49/59/99/565495999.db2.gz LRTHWBGIYBYKDA-CZUORRHYSA-N 2 1 398.288 2.949 20 0 GFADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596652590 565530621 /nfs/dbraw/zinc/53/06/21/565530621.db2.gz VGTMEIAEZYHLMN-DUFXMDAXSA-N 2 1 394.684 2.787 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563389 565859043 /nfs/dbraw/zinc/85/90/43/565859043.db2.gz DXUKPQKTJKWZNO-KGLIPLIRSA-N 2 1 377.838 2.805 20 0 GFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000629593712 565861968 /nfs/dbraw/zinc/86/19/68/565861968.db2.gz JAFIWNRSGAUIJC-CALCHBBNSA-N 2 1 384.293 2.848 20 0 GFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1ccc(Br)cc1F)C2 ZINC000629593712 565861974 /nfs/dbraw/zinc/86/19/74/565861974.db2.gz JAFIWNRSGAUIJC-CALCHBBNSA-N 2 1 384.293 2.848 20 0 GFADMP C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000652354566 565925064 /nfs/dbraw/zinc/92/50/64/565925064.db2.gz BWWIAMZAHVIGKC-WFASDCNBSA-N 2 1 388.375 2.918 20 0 GFADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000652354566 565925066 /nfs/dbraw/zinc/92/50/66/565925066.db2.gz BWWIAMZAHVIGKC-WFASDCNBSA-N 2 1 388.375 2.918 20 0 GFADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826194215 607491449 /nfs/dbraw/zinc/49/14/49/607491449.db2.gz FPCWAITVDGXDDM-GOSISDBHSA-N 2 1 384.528 2.819 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc1-c1nn[nH]n1 ZINC000826194215 607491450 /nfs/dbraw/zinc/49/14/50/607491450.db2.gz FPCWAITVDGXDDM-GOSISDBHSA-N 2 1 384.528 2.819 20 0 GFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000822323243 606900993 /nfs/dbraw/zinc/90/09/93/606900993.db2.gz AWVDHOIOTOVQHP-QGZVFWFLSA-N 2 1 393.495 2.773 20 0 GFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000822323243 606900995 /nfs/dbraw/zinc/90/09/95/606900995.db2.gz AWVDHOIOTOVQHP-QGZVFWFLSA-N 2 1 393.495 2.773 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818997773 660242698 /nfs/dbraw/zinc/24/26/98/660242698.db2.gz KUQKXRDINROASI-DLBZAZTESA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(Cl)cc1Cl ZINC000818997773 660242699 /nfs/dbraw/zinc/24/26/99/660242699.db2.gz KUQKXRDINROASI-DLBZAZTESA-N 2 1 388.339 2.559 20 0 GFADMP C[NH+]1CCC(NC(=S)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000063146238 654849803 /nfs/dbraw/zinc/84/98/03/654849803.db2.gz GHQXEHQAQBQFMI-UHFFFAOYSA-N 2 1 380.989 2.816 20 0 GFADMP C[NH+]1CCC(NC(=S)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)CC1 ZINC000063146238 654849804 /nfs/dbraw/zinc/84/98/04/654849804.db2.gz GHQXEHQAQBQFMI-UHFFFAOYSA-N 2 1 380.989 2.816 20 0 GFADMP Brc1ccoc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000735322772 655645344 /nfs/dbraw/zinc/64/53/44/655645344.db2.gz LFTQZZWXXNJXQV-UHFFFAOYSA-N 2 1 379.302 2.739 20 0 GFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775391019 656636278 /nfs/dbraw/zinc/63/62/78/656636278.db2.gz BMTFIFZCFLVMGN-UHZRXMQZSA-N 2 1 378.607 2.839 20 0 GFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12 ZINC000775391019 656636284 /nfs/dbraw/zinc/63/62/84/656636284.db2.gz BMTFIFZCFLVMGN-UHZRXMQZSA-N 2 1 378.607 2.839 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl ZINC000845411223 661469500 /nfs/dbraw/zinc/46/95/00/661469500.db2.gz QEIVMLBYVMCTAD-NJAFHUGGSA-N 2 1 376.948 2.749 20 0 GFADMP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CO2 ZINC000866594122 662482865 /nfs/dbraw/zinc/48/28/65/662482865.db2.gz AGXBYTIQDZMATL-JKSUJKDBSA-N 2 1 395.341 2.986 20 0 GFADMP Brc1cccc2c1C[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CO2 ZINC000866594120 662482880 /nfs/dbraw/zinc/48/28/80/662482880.db2.gz AGXBYTIQDZMATL-HOTGVXAUSA-N 2 1 395.341 2.986 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896613 662707281 /nfs/dbraw/zinc/70/72/81/662707281.db2.gz WWBKCWXIWWTUOZ-PBHICJAKSA-N 2 1 380.330 2.639 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910274 662707936 /nfs/dbraw/zinc/70/79/36/662707936.db2.gz NCKPZXDVVGCEGL-QGTPRVQTSA-N 2 1 392.341 2.924 20 0 GFADMP COCCC1([NH2+]Cc2cnn(-c3ccc(Br)cc3)c2)CC[NH2+]CC1 ZINC000873224629 662803913 /nfs/dbraw/zinc/80/39/13/662803913.db2.gz IWUVCZVIWCFYDJ-UHFFFAOYSA-N 2 1 393.329 2.883 20 0 GFADMP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3nc(Cl)ccc3Br)C2)CC1 ZINC000877028091 662869780 /nfs/dbraw/zinc/86/97/80/662869780.db2.gz XJOLPGZNQOZGDO-GFCCVEGCSA-N 2 1 387.753 2.756 20 0 GFADMP CC1(C)C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232258 663067422 /nfs/dbraw/zinc/06/74/22/663067422.db2.gz MJTLNZYLIRXJCR-KRWDZBQOSA-N 2 1 394.357 2.775 20 0 GFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000894360375 663457592 /nfs/dbraw/zinc/45/75/92/663457592.db2.gz ZXCBCZAMMYSEGZ-GOEBONIOSA-N 2 1 392.345 2.968 20 0 GFADMP Cc1cc(C[N@@H+](C)C2(C[NH3+])CCOCC2)c(C)cc1I ZINC000903810164 663807236 /nfs/dbraw/zinc/80/72/36/663807236.db2.gz ZUCKFXFRFJQVTE-UHFFFAOYSA-N 2 1 388.293 2.848 20 0 GFADMP Cc1cc(C[N@H+](C)C2(C[NH3+])CCOCC2)c(C)cc1I ZINC000903810164 663807237 /nfs/dbraw/zinc/80/72/37/663807237.db2.gz ZUCKFXFRFJQVTE-UHFFFAOYSA-N 2 1 388.293 2.848 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819336 663807468 /nfs/dbraw/zinc/80/74/68/663807468.db2.gz HASRCCVRITVPJV-OAHLLOKOSA-N 2 1 389.323 2.578 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819336 663807469 /nfs/dbraw/zinc/80/74/69/663807469.db2.gz HASRCCVRITVPJV-OAHLLOKOSA-N 2 1 389.323 2.578 20 0 GFADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925598837 664673393 /nfs/dbraw/zinc/67/33/93/664673393.db2.gz MSYXIGGHJASBEM-GVSKICRLSA-N 2 1 378.314 2.672 20 0 GFADMP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)c1cncs1 ZINC000934199077 664892045 /nfs/dbraw/zinc/89/20/45/664892045.db2.gz YGFDKFYBZJPYMT-CQSZACIVSA-N 2 1 376.551 2.981 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389898 718824671 /nfs/dbraw/zinc/82/46/71/718824671.db2.gz KRFVFIKWMMYACR-HZPDHXFCSA-N 2 1 389.569 2.717 20 0 GFADMP [NH3+]C1CCN(c2ccnc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164626090 719088466 /nfs/dbraw/zinc/08/84/66/719088466.db2.gz IDLZFBSZAIIQBH-TZIWHRDSSA-N 2 1 392.551 2.505 20 0 GFADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(OC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164629011 719099607 /nfs/dbraw/zinc/09/96/07/719099607.db2.gz PUEHUSXUQKTNHH-PZJWPPBQSA-N 2 1 393.535 2.708 20 0 GFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)cc[nH+]1)CC2 ZINC001164711521 720097006 /nfs/dbraw/zinc/09/70/06/720097006.db2.gz QGWMDPUYRVXZMV-IBGZPJMESA-N 2 1 382.508 2.993 20 0 GFADMP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817874 720162894 /nfs/dbraw/zinc/16/28/94/720162894.db2.gz QPYMZPDFQHDFJB-SIKLNZKXSA-N 2 1 385.556 2.652 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817874 720162899 /nfs/dbraw/zinc/16/28/99/720162899.db2.gz QPYMZPDFQHDFJB-SIKLNZKXSA-N 2 1 385.556 2.652 20 0 GFADMP c1cc2c[nH+]c(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744921 720814951 /nfs/dbraw/zinc/81/49/51/720814951.db2.gz JSDKMACYTUNGGR-WSTZPKSXSA-N 2 1 377.496 2.534 20 0 GFADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164879868 721184684 /nfs/dbraw/zinc/18/46/84/721184684.db2.gz UWFIIYRFECTUEM-YADHBBJMSA-N 2 1 393.535 2.552 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1CC[C@@H]2C[N@@H+](Cc3cccnc3)CCO[C@H]2C1 ZINC001164982361 722107626 /nfs/dbraw/zinc/10/76/26/722107626.db2.gz NZCNGVGWOZPRFT-NQIIRXRSSA-N 2 1 377.492 2.696 20 0 GFADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000126887188 551333813 /nfs/dbraw/zinc/33/38/13/551333813.db2.gz PXCLGYMTXDBUEG-QGZVFWFLSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126887188 551333815 /nfs/dbraw/zinc/33/38/15/551333815.db2.gz PXCLGYMTXDBUEG-QGZVFWFLSA-N 2 1 380.330 2.624 20 0 GFADMP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152851722 551441267 /nfs/dbraw/zinc/44/12/67/551441267.db2.gz WKWAIOYOJGQDMS-HNNXBMFYSA-N 2 1 392.345 2.726 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154345360 551473063 /nfs/dbraw/zinc/47/30/63/551473063.db2.gz JDYTUCUMVQKHLX-PWSUYJOCSA-N 2 1 381.826 2.588 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166488309 551631782 /nfs/dbraw/zinc/63/17/82/551631782.db2.gz VTAGPQRUJDCCJL-HZPDHXFCSA-N 2 1 385.599 2.538 20 0 GFADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[N@H+](C)CCO1 ZINC000174762488 552109847 /nfs/dbraw/zinc/10/98/47/552109847.db2.gz SHVXDRFLXOKKSO-QGZVFWFLSA-N 2 1 388.339 2.604 20 0 GFADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000174762488 552109850 /nfs/dbraw/zinc/10/98/50/552109850.db2.gz SHVXDRFLXOKKSO-QGZVFWFLSA-N 2 1 388.339 2.604 20 0 GFADMP C[C@H](NCc1cccnc1N1CCN(C)CC1)c1ncc(Br)s1 ZINC000179214746 552187374 /nfs/dbraw/zinc/18/73/74/552187374.db2.gz VUWMCGIJVUCBLV-LBPRGKRZSA-N 2 1 396.358 2.903 20 0 GFADMP [NH3+][C@@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000237957799 553084769 /nfs/dbraw/zinc/08/47/69/553084769.db2.gz JPNYNXHIRSKNPS-GOEBONIOSA-N 2 1 380.330 2.657 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718888 553157581 /nfs/dbraw/zinc/15/75/81/553157581.db2.gz JVFNIGPPAOSPFS-LBTNJELSSA-N 2 1 382.346 2.860 20 0 GFADMP COCc1cc(CNCCc2cn3cc(Br)cc(C)c3n2)no1 ZINC000297596536 563330438 /nfs/dbraw/zinc/33/04/38/563330438.db2.gz JQESXYJUCUQMDL-UHFFFAOYSA-N 2 1 379.258 2.872 20 0 GFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958210 563351627 /nfs/dbraw/zinc/35/16/27/563351627.db2.gz XBUYMMWGHJXWGC-KSSFIOAISA-N 2 1 390.325 2.727 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423163415 563357701 /nfs/dbraw/zinc/35/77/01/563357701.db2.gz RDDSFOQHFQRKGR-OLZOCXBDSA-N 2 1 394.313 2.767 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165763 563357849 /nfs/dbraw/zinc/35/78/49/563357849.db2.gz UVHDXTKIMWSKIM-UNEWFSDZSA-N 2 1 385.346 2.729 20 0 GFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ncc(Br)cc1F ZINC000423499907 563361376 /nfs/dbraw/zinc/36/13/76/563361376.db2.gz BQGOTLFXSJUYQW-GRTSSRMGSA-N 2 1 385.325 2.850 20 0 GFADMP Cc1cc(Br)cn2c(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cnc12 ZINC000282062092 563396452 /nfs/dbraw/zinc/39/64/52/563396452.db2.gz BODAXKIGFMBODL-UHFFFAOYSA-N 2 1 394.361 2.521 20 0 GFADMP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@@H+](CCO)C[C@H]3C)c2cc1Br ZINC000425265441 563415833 /nfs/dbraw/zinc/41/58/33/563415833.db2.gz DPYOYGNRVBVIMZ-CHWSQXEVSA-N 2 1 394.313 2.897 20 0 GFADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000434881243 563640037 /nfs/dbraw/zinc/64/00/37/563640037.db2.gz TZVSKJSOHRVXPA-ROUUACIJSA-N 2 1 381.973 2.906 20 0 GFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160201 563716004 /nfs/dbraw/zinc/71/60/04/563716004.db2.gz ALCWZDOOHPSXKZ-CVEARBPZSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160201 563716006 /nfs/dbraw/zinc/71/60/06/563716006.db2.gz ALCWZDOOHPSXKZ-CVEARBPZSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743352 563751808 /nfs/dbraw/zinc/75/18/08/563751808.db2.gz IQSJTOUBJJXBKJ-ILXRZTDVSA-N 2 1 395.345 2.883 20 0 GFADMP O=c1ccc(Br)cn1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000449378247 564183053 /nfs/dbraw/zinc/18/30/53/564183053.db2.gz QIBQEHPINBAHPQ-UHFFFAOYSA-N 2 1 390.325 2.865 20 0 GFADMP COc1sc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1Br ZINC000564656499 564243697 /nfs/dbraw/zinc/24/36/97/564243697.db2.gz JNBNPVGLZLMMFS-KGLIPLIRSA-N 2 1 375.332 2.847 20 0 GFADMP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000566192878 564315252 /nfs/dbraw/zinc/31/52/52/564315252.db2.gz RWZVKLVJVKSUPC-KGLIPLIRSA-N 2 1 397.361 2.839 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1O ZINC000567243053 564362760 /nfs/dbraw/zinc/36/27/60/564362760.db2.gz MQZNOEPHKWDYKT-RHSMWYFYSA-N 2 1 399.329 2.882 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000567690141 564383532 /nfs/dbraw/zinc/38/35/32/564383532.db2.gz ZCMYSZFJRMTVBD-INIZCTEOSA-N 2 1 382.302 2.764 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2cc(F)cc(Br)c2)C2CC2)CC1 ZINC000514213940 564447465 /nfs/dbraw/zinc/44/74/65/564447465.db2.gz JKVNWPBLCVXYJS-GOSISDBHSA-N 2 1 398.320 2.793 20 0 GFADMP C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215915 564495996 /nfs/dbraw/zinc/49/59/96/564495996.db2.gz MDOFNSARJKPNKM-DZGCQCFKSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570215915 564496001 /nfs/dbraw/zinc/49/60/01/564496001.db2.gz MDOFNSARJKPNKM-DZGCQCFKSA-N 2 1 385.961 2.730 20 0 GFADMP CC[C@H](N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665784 564518791 /nfs/dbraw/zinc/51/87/91/564518791.db2.gz DJNPDPTZQCEIOI-OAUYIBNBSA-N 2 1 385.961 2.772 20 0 GFADMP CC[C@H](N[C@@H]1C[N@H+](C2CC2)C[C@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665784 564518794 /nfs/dbraw/zinc/51/87/94/564518794.db2.gz DJNPDPTZQCEIOI-OAUYIBNBSA-N 2 1 385.961 2.772 20 0 GFADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[NH+](C)C ZINC000454674917 564518891 /nfs/dbraw/zinc/51/88/91/564518891.db2.gz KSLMRODXJWSXDX-AWEZNQCLSA-N 2 1 397.361 2.663 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2cccc(Br)c2)C1 ZINC000517733067 564541336 /nfs/dbraw/zinc/54/13/36/564541336.db2.gz WVBYCYJNEMHOJY-DOTOQJQBSA-N 2 1 385.346 2.899 20 0 GFADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCN(Cc3ccc(Br)cc3)CC2)C1 ZINC000571819109 564568000 /nfs/dbraw/zinc/56/80/00/564568000.db2.gz PEMTXDABFKRAKO-OAHLLOKOSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000571819109 564568005 /nfs/dbraw/zinc/56/80/05/564568005.db2.gz PEMTXDABFKRAKO-OAHLLOKOSA-N 2 1 394.357 2.872 20 0 GFADMP CC[NH+](CC)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456383209 564604399 /nfs/dbraw/zinc/60/43/99/564604399.db2.gz YZXYRVCWIQHUEO-AWEZNQCLSA-N 2 1 397.361 2.870 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000573001871 564619244 /nfs/dbraw/zinc/61/92/44/564619244.db2.gz JHBXWLNPSFTWQK-CVEARBPZSA-N 2 1 386.277 2.619 20 0 GFADMP C(CC[NH+]1CCO[C@]2(CCSC2)C1)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573560745 564643217 /nfs/dbraw/zinc/64/32/17/564643217.db2.gz BONNNDCZJPETDV-KDURUIRLSA-N 2 1 386.627 2.573 20 0 GFADMP C(CC[NH+]1CCO[C@@]2(CCSC2)C1)CC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000573560745 564643219 /nfs/dbraw/zinc/64/32/19/564643219.db2.gz BONNNDCZJPETDV-KDURUIRLSA-N 2 1 386.627 2.573 20 0 GFADMP C(CC[NH+]1CCO[C@@]2(CCSC2)C1)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000573560745 564643221 /nfs/dbraw/zinc/64/32/21/564643221.db2.gz BONNNDCZJPETDV-KDURUIRLSA-N 2 1 386.627 2.573 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)s1 ZINC000459397887 564742306 /nfs/dbraw/zinc/74/23/06/564742306.db2.gz HRCMPDWJLZAMPG-UHFFFAOYSA-N 2 1 385.599 2.538 20 0 GFADMP C[C@@H]1CN(Cc2cccc(O)c2Br)CC[N@H+]1C1CCN(C)CC1 ZINC000459557276 564750647 /nfs/dbraw/zinc/75/06/47/564750647.db2.gz JHLFEMBIEZCOKG-CQSZACIVSA-N 2 1 382.346 2.755 20 0 GFADMP C[C@H](Cn1cc(Br)ccc1=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954490 564765232 /nfs/dbraw/zinc/76/52/32/564765232.db2.gz ZSAZBQSSKSBEPU-PBHICJAKSA-N 2 1 382.346 2.996 20 0 GFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000556122643 564813270 /nfs/dbraw/zinc/81/32/70/564813270.db2.gz HRZLMXXZFQEBHZ-UHFFFAOYSA-N 2 1 387.977 2.931 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)CC1 ZINC000556122643 564813271 /nfs/dbraw/zinc/81/32/71/564813271.db2.gz HRZLMXXZFQEBHZ-UHFFFAOYSA-N 2 1 387.977 2.931 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(Br)cc1F ZINC000529566147 564842717 /nfs/dbraw/zinc/84/27/17/564842717.db2.gz AUSPNBSTKQOGIA-HNNXBMFYSA-N 2 1 387.341 2.831 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c(Br)c1O ZINC000556964138 564849093 /nfs/dbraw/zinc/84/90/93/564849093.db2.gz GEINHKPIZMBWKP-KSSFIOAISA-N 2 1 399.329 2.882 20 0 GFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCn2cc(Br)cn2)cc1 ZINC000685477641 565107757 /nfs/dbraw/zinc/10/77/57/565107757.db2.gz JCPKXBSQLFDHDL-UHFFFAOYSA-N 2 1 381.318 2.718 20 0 GFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000637906178 565177605 /nfs/dbraw/zinc/17/76/05/565177605.db2.gz RAUGQNUXMKEVCV-UHFFFAOYSA-N 2 1 387.977 2.931 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000637906178 565177610 /nfs/dbraw/zinc/17/76/10/565177610.db2.gz RAUGQNUXMKEVCV-UHFFFAOYSA-N 2 1 387.977 2.931 20 0 GFADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286581 565358768 /nfs/dbraw/zinc/35/87/68/565358768.db2.gz QVCUQPREZNFRSB-VBNZEHGJSA-N 2 1 384.318 2.571 20 0 GFADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286581 565358773 /nfs/dbraw/zinc/35/87/73/565358773.db2.gz QVCUQPREZNFRSB-VBNZEHGJSA-N 2 1 384.318 2.571 20 0 GFADMP [NH3+][C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667521 565380967 /nfs/dbraw/zinc/38/09/67/565380967.db2.gz BSYOBKOZWWJFJX-GUYCJALGSA-N 2 1 380.330 2.972 20 0 GFADMP [NH3+][C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667521 565380973 /nfs/dbraw/zinc/38/09/73/565380973.db2.gz BSYOBKOZWWJFJX-GUYCJALGSA-N 2 1 380.330 2.972 20 0 GFADMP C[C@@H]1CSc2ccc(Br)cc2[C@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292218 565495793 /nfs/dbraw/zinc/49/57/93/565495793.db2.gz WEKBIIWUJCGTQX-ABKXIKBNSA-N 2 1 395.326 2.976 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623401039 565508390 /nfs/dbraw/zinc/50/83/90/565508390.db2.gz OZMQDWLQMWILJD-HNNXBMFYSA-N 2 1 387.615 2.784 20 0 GFADMP Brc1cccc(-c2cnc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000649419089 565760712 /nfs/dbraw/zinc/76/07/12/565760712.db2.gz DNPIRPVQNBZYPF-INIZCTEOSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1cccc(-c2cnc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000649419089 565760716 /nfs/dbraw/zinc/76/07/16/565760716.db2.gz DNPIRPVQNBZYPF-INIZCTEOSA-N 2 1 391.313 2.584 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(C)nn(-c2ccc(Br)cc2)c1C ZINC000629654247 565865102 /nfs/dbraw/zinc/86/51/02/565865102.db2.gz ONPYKJBURVGAFH-UHFFFAOYSA-N 2 1 395.345 2.919 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346046 565922634 /nfs/dbraw/zinc/92/26/34/565922634.db2.gz RWVUMEHJHULPSR-LXZKKBNFSA-N 2 1 396.329 2.606 20 0 GFADMP COc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(F)cc1Br ZINC000631128440 565943286 /nfs/dbraw/zinc/94/32/86/565943286.db2.gz XKCVDTXXQVTBNF-UHFFFAOYSA-N 2 1 388.325 2.712 20 0 GFADMP Brc1cnn(CCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655764828 566086887 /nfs/dbraw/zinc/08/68/87/566086887.db2.gz SKCORJKLKCDLMR-QGZVFWFLSA-N 2 1 385.350 2.659 20 0 GFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736564471 598561591 /nfs/dbraw/zinc/56/15/91/598561591.db2.gz BUUTVVQUWKZQCW-GOSISDBHSA-N 2 1 392.507 2.877 20 0 GFADMP COc1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194833 607504246 /nfs/dbraw/zinc/50/42/46/607504246.db2.gz XPQCRXKGDABGNZ-INIZCTEOSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194833 607504247 /nfs/dbraw/zinc/50/42/47/607504247.db2.gz XPQCRXKGDABGNZ-INIZCTEOSA-N 2 1 379.468 2.513 20 0 GFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2ccccc2Br)CC1 ZINC000819128890 660247485 /nfs/dbraw/zinc/24/74/85/660247485.db2.gz SOJRVVBZSWWUFR-SFHVURJKSA-N 2 1 385.346 2.962 20 0 GFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111385220 655172601 /nfs/dbraw/zinc/17/26/01/655172601.db2.gz YHWDPSOHRKBORX-CQSZACIVSA-N 2 1 392.345 2.565 20 0 GFADMP C[N@@H+]1CC[C@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726522 662786831 /nfs/dbraw/zinc/78/68/31/662786831.db2.gz RPKKKAUWHDGOLN-XJKSGUPXSA-N 2 1 376.298 2.748 20 0 GFADMP C[N@H+]1CC[C@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726522 662786834 /nfs/dbraw/zinc/78/68/34/662786834.db2.gz RPKKKAUWHDGOLN-XJKSGUPXSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726522 662786838 /nfs/dbraw/zinc/78/68/38/662786838.db2.gz RPKKKAUWHDGOLN-XJKSGUPXSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@H]2C[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@H]21 ZINC000872726522 662786840 /nfs/dbraw/zinc/78/68/40/662786840.db2.gz RPKKKAUWHDGOLN-XJKSGUPXSA-N 2 1 376.298 2.748 20 0 GFADMP Cc1ccc([C@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@H](C)S(C)(=O)=O)cc1 ZINC000873210861 662803888 /nfs/dbraw/zinc/80/38/88/662803888.db2.gz QUDMQFUMTIEWKU-IFXJQAMLSA-N 2 1 378.563 2.966 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2cc3nc(Cl)ccc3s2)CC1 ZINC000877009056 662869543 /nfs/dbraw/zinc/86/95/43/662869543.db2.gz SCGIYRTXOVFJSM-UHFFFAOYSA-N 2 1 380.945 2.982 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391373 664598543 /nfs/dbraw/zinc/59/85/43/664598543.db2.gz VRJFIGBMUFPQMI-MOIQIXESSA-N 2 1 382.346 2.722 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391373 664598544 /nfs/dbraw/zinc/59/85/44/664598544.db2.gz VRJFIGBMUFPQMI-MOIQIXESSA-N 2 1 382.346 2.722 20 0 GFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923393825 664629440 /nfs/dbraw/zinc/62/94/40/664629440.db2.gz YQADRDXDAMVZMG-RTXFEEFZSA-N 2 1 377.710 2.654 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923400298 664629846 /nfs/dbraw/zinc/62/98/46/664629846.db2.gz ABMNAGIVSRSEPO-MJBXVCDLSA-N 2 1 380.838 2.847 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923400298 664629848 /nfs/dbraw/zinc/62/98/48/664629848.db2.gz ABMNAGIVSRSEPO-MJBXVCDLSA-N 2 1 380.838 2.847 20 0 GFADMP [NH3+]CC[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479463 664631107 /nfs/dbraw/zinc/63/11/07/664631107.db2.gz PKDJMUZCXVZFBI-DGCLKSJQSA-N 2 1 377.710 2.513 20 0 GFADMP COc1cc2cnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2cc1OC ZINC001164680570 719642411 /nfs/dbraw/zinc/64/24/11/719642411.db2.gz WJYFQRIBWHCJJG-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP COc1cc2cnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)cc2cc1OC ZINC001164680570 719642423 /nfs/dbraw/zinc/64/24/23/719642423.db2.gz WJYFQRIBWHCJJG-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP c1cncc(C[N@@H+]2CC[C@@H]3[C@@H]2CCN3c2cccc(OCC[NH+]3CCCC3)n2)c1 ZINC001164726339 720420083 /nfs/dbraw/zinc/42/00/83/720420083.db2.gz BNKMXEGDBXZXRE-LEWJYISDSA-N 2 1 393.535 2.804 20 0 GFADMP Nc1cc[nH+]c(N2CC[C@@]3(C2)C[N@@H+](CC2CC2)C[C@H]3COCc2cccnc2)c1 ZINC001164754871 720869773 /nfs/dbraw/zinc/86/97/73/720869773.db2.gz UFFUGCXGFFAYMY-REWPJTCUSA-N 2 1 393.535 2.814 20 0 GFADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164867268 721114153 /nfs/dbraw/zinc/11/41/53/721114153.db2.gz XPAJIHDJLRQIOX-LEWJYISDSA-N 2 1 379.508 2.557 20 0 GFADMP c1csc(C[N@@H+]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)n1 ZINC001164788274 721421777 /nfs/dbraw/zinc/42/17/77/721421777.db2.gz RSBJNLMORKVZBJ-HDICACEKSA-N 2 1 399.564 2.581 20 0 GFADMP c1csc(C[N@H+]2C[C@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)n1 ZINC001164788274 721421781 /nfs/dbraw/zinc/42/17/81/721421781.db2.gz RSBJNLMORKVZBJ-HDICACEKSA-N 2 1 399.564 2.581 20 0 GFADMP FC1(F)CCN(c2ccc3c(n2)CC[NH2+]C3)C[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC001164907981 721586850 /nfs/dbraw/zinc/58/68/50/721586850.db2.gz XQLVUNRSFYNWSE-OAQYLSRUSA-N 2 1 399.489 2.860 20 0 GFADMP Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)nc1C1C[NH2+]C1 ZINC001165023947 721832664 /nfs/dbraw/zinc/83/26/64/721832664.db2.gz IWEDEHBJGPLGAB-WMQCIHAUSA-N 2 1 392.551 2.604 20 0 GFADMP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151376527 551412366 /nfs/dbraw/zinc/41/23/66/551412366.db2.gz GFPPDAGWRBPCQW-AWEZNQCLSA-N 2 1 398.345 2.603 20 0 GFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000163273394 551618409 /nfs/dbraw/zinc/61/84/09/551618409.db2.gz NIEQUMAPKIGEFJ-QWHCGFSZSA-N 2 1 376.469 2.684 20 0 GFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000163273394 551618411 /nfs/dbraw/zinc/61/84/11/551618411.db2.gz NIEQUMAPKIGEFJ-QWHCGFSZSA-N 2 1 376.469 2.684 20 0 GFADMP O=C(C[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856583 552177081 /nfs/dbraw/zinc/17/70/81/552177081.db2.gz AIURATFLIGOFQV-KRWDZBQOSA-N 2 1 380.330 2.672 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180091426 552212525 /nfs/dbraw/zinc/21/25/25/552212525.db2.gz QVJCBDQUNCTJJX-GOSISDBHSA-N 2 1 380.330 2.654 20 0 GFADMP C(C[NH+]1CCSC2(CCOCC2)C1)C[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186816237 552398268 /nfs/dbraw/zinc/39/82/68/552398268.db2.gz NBZDLDKJVQWDFZ-UHFFFAOYSA-N 2 1 386.627 2.573 20 0 GFADMP C(C[NH+]1CCSC2(CCOCC2)C1)C[N@H+]1CCSC2(CCOCC2)C1 ZINC000186816237 552398269 /nfs/dbraw/zinc/39/82/69/552398269.db2.gz NBZDLDKJVQWDFZ-UHFFFAOYSA-N 2 1 386.627 2.573 20 0 GFADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000237571354 553079227 /nfs/dbraw/zinc/07/92/27/553079227.db2.gz QHLURMKTACWNGV-GOSISDBHSA-N 2 1 380.330 2.529 20 0 GFADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234731 553104464 /nfs/dbraw/zinc/10/44/64/553104464.db2.gz QSIYXVSDEJQCRO-NVXWUHKLSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234731 553104467 /nfs/dbraw/zinc/10/44/67/553104467.db2.gz QSIYXVSDEJQCRO-NVXWUHKLSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234731 553104469 /nfs/dbraw/zinc/10/44/69/553104469.db2.gz QSIYXVSDEJQCRO-NVXWUHKLSA-N 2 1 385.346 2.853 20 0 GFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000246234731 553104472 /nfs/dbraw/zinc/10/44/72/553104472.db2.gz QSIYXVSDEJQCRO-NVXWUHKLSA-N 2 1 385.346 2.853 20 0 GFADMP O[C@H](C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1Br ZINC000246602419 553110374 /nfs/dbraw/zinc/11/03/74/553110374.db2.gz HIUOUZRKKOKTJH-MAUKXSAKSA-N 2 1 383.330 2.527 20 0 GFADMP O[C@H](CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000246602419 553110377 /nfs/dbraw/zinc/11/03/77/553110377.db2.gz HIUOUZRKKOKTJH-MAUKXSAKSA-N 2 1 383.330 2.527 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057845 553118243 /nfs/dbraw/zinc/11/82/43/553118243.db2.gz OTNXAPQRSAUNLS-LESCRADOSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057845 553118247 /nfs/dbraw/zinc/11/82/47/553118247.db2.gz OTNXAPQRSAUNLS-LESCRADOSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)[C@@H](C)C1 ZINC000247057845 553118250 /nfs/dbraw/zinc/11/82/50/553118250.db2.gz OTNXAPQRSAUNLS-LESCRADOSA-N 2 1 385.346 2.851 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CCN(c4cccc(Br)c4)C3=O)CC[C@H]21 ZINC000248845577 553135543 /nfs/dbraw/zinc/13/55/43/553135543.db2.gz AKTLOMXOKXDBOS-ZTFGCOKTSA-N 2 1 392.341 2.971 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2sccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000262103686 553165942 /nfs/dbraw/zinc/16/59/42/553165942.db2.gz JCYDFNBEKZGKPM-OCCSQVGLSA-N 2 1 386.359 2.591 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490064 563279179 /nfs/dbraw/zinc/27/91/79/563279179.db2.gz CKCRYWWOVNIXEW-DOMZBBRYSA-N 2 1 377.286 2.886 20 0 GFADMP C[C@H](N[C@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783433 563317188 /nfs/dbraw/zinc/31/71/88/563317188.db2.gz KGNNNYLCHWJWNY-HOTGVXAUSA-N 2 1 382.346 2.506 20 0 GFADMP C[C@@H](N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783434 563317313 /nfs/dbraw/zinc/31/73/13/563317313.db2.gz KGNNNYLCHWJWNY-HZPDHXFCSA-N 2 1 382.346 2.506 20 0 GFADMP C[C@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1c[nH+]ccc1N ZINC000422903559 563350669 /nfs/dbraw/zinc/35/06/69/563350669.db2.gz FQOZCVXXFNMAMO-ZDUSSCGKSA-N 2 1 391.313 2.956 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411881 563404187 /nfs/dbraw/zinc/40/41/87/563404187.db2.gz AEIFTEQGUXMPLX-HOCLYGCPSA-N 2 1 389.297 2.664 20 0 GFADMP [NH3+]CCCOC1CC[NH+](Cc2cc3c(cc2Br)OCCO3)CC1 ZINC000321593441 563448703 /nfs/dbraw/zinc/44/87/03/563448703.db2.gz UQCPTARCVLPSCR-UHFFFAOYSA-N 2 1 385.302 2.550 20 0 GFADMP C[C@@H](c1cccc(Br)c1)N1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000378358108 563503580 /nfs/dbraw/zinc/50/35/80/563503580.db2.gz YERDQOOZCYBHDJ-GUYCJALGSA-N 2 1 380.330 2.924 20 0 GFADMP C[C@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1CC[NH3+] ZINC000404268358 563537234 /nfs/dbraw/zinc/53/72/34/563537234.db2.gz IXSHPPKECIQOEL-YOEHRIQHSA-N 2 1 382.346 2.857 20 0 GFADMP C[C@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1CC[NH3+] ZINC000404268358 563537237 /nfs/dbraw/zinc/53/72/37/563537237.db2.gz IXSHPPKECIQOEL-YOEHRIQHSA-N 2 1 382.346 2.857 20 0 GFADMP Cc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)cc1Br ZINC000362378885 563706443 /nfs/dbraw/zinc/70/64/43/563706443.db2.gz DBDPQZVQSMPFKM-OAHLLOKOSA-N 2 1 394.357 2.964 20 0 GFADMP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(C)cc1Br ZINC000362378885 563706439 /nfs/dbraw/zinc/70/64/39/563706439.db2.gz DBDPQZVQSMPFKM-OAHLLOKOSA-N 2 1 394.357 2.964 20 0 GFADMP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC1(c2ccc(Br)cc2)CC1 ZINC000414746592 563751594 /nfs/dbraw/zinc/75/15/94/563751594.db2.gz SKVIUDNHYGATAQ-OAHLLOKOSA-N 2 1 394.357 2.610 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2ccc(Br)s2)C1 ZINC000414753378 563751979 /nfs/dbraw/zinc/75/19/79/563751979.db2.gz DMFBZGPDYLUHLW-OLZOCXBDSA-N 2 1 386.359 2.845 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828260 563753947 /nfs/dbraw/zinc/75/39/47/563753947.db2.gz LYSIOLZUWGHXGJ-CQSZACIVSA-N 2 1 399.329 2.789 20 0 GFADMP COCCC[N@@H+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Cl)s2)CC1 ZINC000365671035 563790609 /nfs/dbraw/zinc/79/06/09/563790609.db2.gz NGICLSGMCVIHNA-UHFFFAOYSA-N 2 1 387.977 2.698 20 0 GFADMP [NH3+]CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997223 563801924 /nfs/dbraw/zinc/80/19/24/563801924.db2.gz RBPRTBPJOFFQJK-OCCSQVGLSA-N 2 1 378.464 2.539 20 0 GFADMP CN(CC[N@@H+](C)CCOc1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000538134273 564183766 /nfs/dbraw/zinc/18/37/66/564183766.db2.gz BNNNGBBDMFRWJF-UHFFFAOYSA-N 2 1 384.362 2.786 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000472262234 564218492 /nfs/dbraw/zinc/21/84/92/564218492.db2.gz LULKHBWZKDMJIP-KRWDZBQOSA-N 2 1 398.345 2.820 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Br)cc2)C1 ZINC000472262234 564218493 /nfs/dbraw/zinc/21/84/93/564218493.db2.gz LULKHBWZKDMJIP-KRWDZBQOSA-N 2 1 398.345 2.820 20 0 GFADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564086048 564219270 /nfs/dbraw/zinc/21/92/70/564219270.db2.gz WQLDIUUPKWDGSD-VUCTXSBTSA-N 2 1 396.329 2.604 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(Cl)c1F ZINC000508078128 564252922 /nfs/dbraw/zinc/25/29/22/564252922.db2.gz GZXIYEOLQINCKH-AWEZNQCLSA-N 2 1 391.940 2.516 20 0 GFADMP O=C(C[NH2+][C@H](c1ccccc1)c1ccc(Br)cc1)N1CC[NH2+]CC1 ZINC000566088148 564308336 /nfs/dbraw/zinc/30/83/36/564308336.db2.gz CZSCYTHGSJZCJU-LJQANCHMSA-N 2 1 388.309 2.560 20 0 GFADMP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555907 564318615 /nfs/dbraw/zinc/31/86/15/564318615.db2.gz YHCACVJNOAHVKL-CABCVRRESA-N 2 1 387.977 2.915 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4cccc(Br)c4)C3=O)C[C@@H]21 ZINC000566562202 564332420 /nfs/dbraw/zinc/33/24/20/564332420.db2.gz OKWKKVIJSBOONJ-VJUNAUMWSA-N 2 1 378.314 2.614 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3ccc(Br)cc32)C1 ZINC000510656119 564342323 /nfs/dbraw/zinc/34/23/23/564342323.db2.gz KPYMZLZDVQYCNK-PBHICJAKSA-N 2 1 380.330 2.613 20 0 GFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000479272607 564434366 /nfs/dbraw/zinc/43/43/66/564434366.db2.gz RFLGICUUCAKQDL-OAHLLOKOSA-N 2 1 396.373 2.912 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000479691769 564447632 /nfs/dbraw/zinc/44/76/32/564447632.db2.gz LZDSCACRTWAVJX-HNNXBMFYSA-N 2 1 395.345 2.884 20 0 GFADMP C[C@H]1CC[N@@H+](CC(=O)N(CCn2ccnc2)Cc2ccc(Br)o2)C1 ZINC000515669045 564484763 /nfs/dbraw/zinc/48/47/63/564484763.db2.gz USXBFVUSEDTATO-AWEZNQCLSA-N 2 1 395.301 2.609 20 0 GFADMP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550434176 564624329 /nfs/dbraw/zinc/62/43/29/564624329.db2.gz PCABNJTZVXHBKA-SFHVURJKSA-N 2 1 387.977 2.518 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550434176 564624331 /nfs/dbraw/zinc/62/43/31/564624331.db2.gz PCABNJTZVXHBKA-SFHVURJKSA-N 2 1 387.977 2.518 20 0 GFADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000550787636 564630716 /nfs/dbraw/zinc/63/07/16/564630716.db2.gz LAMRCAUJWXIVPY-MRXNPFEDSA-N 2 1 376.298 2.835 20 0 GFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000550787636 564630718 /nfs/dbraw/zinc/63/07/18/564630718.db2.gz LAMRCAUJWXIVPY-MRXNPFEDSA-N 2 1 376.298 2.835 20 0 GFADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677169 564662359 /nfs/dbraw/zinc/66/23/59/564662359.db2.gz OLDINTKANLWNFN-KSSFIOAISA-N 2 1 394.357 2.727 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677169 564662362 /nfs/dbraw/zinc/66/23/62/564662362.db2.gz OLDINTKANLWNFN-KSSFIOAISA-N 2 1 394.357 2.727 20 0 GFADMP COc1ccc([C@@H](CNc2cc[nH+]cc2Br)[NH+](C)C)cc1OC ZINC000553249699 564713739 /nfs/dbraw/zinc/71/37/39/564713739.db2.gz UWIDFVXCUFLNOD-OAHLLOKOSA-N 2 1 380.286 2.998 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459693904 564757444 /nfs/dbraw/zinc/75/74/44/564757444.db2.gz IBUWPLUVFHDNPP-CQSZACIVSA-N 2 1 396.304 2.990 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCn2cc(Br)cn2)[C@H](C)C1 ZINC000490404409 564770138 /nfs/dbraw/zinc/77/01/38/564770138.db2.gz RFMFIHCZGUOHPW-WBVHZDCISA-N 2 1 387.366 2.762 20 0 GFADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318153 564797323 /nfs/dbraw/zinc/79/73/23/564797323.db2.gz CVDPUBIXFUYNEU-SWLSCSKDSA-N 2 1 398.276 2.551 20 0 GFADMP C[C@@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581667370 564813765 /nfs/dbraw/zinc/81/37/65/564813765.db2.gz JJOIXBQPHGAZPT-HOCLYGCPSA-N 2 1 380.330 2.654 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2C[N@H+](C)CCN2C)c1C ZINC000462839162 564859728 /nfs/dbraw/zinc/85/97/28/564859728.db2.gz UJOPWHNCJDWKOG-HNNXBMFYSA-N 2 1 377.330 2.694 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CN(C)CC[N@@H+]2C)c1C ZINC000462839162 564859730 /nfs/dbraw/zinc/85/97/30/564859730.db2.gz UJOPWHNCJDWKOG-HNNXBMFYSA-N 2 1 377.330 2.694 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(NC[C@H]2CN(C)CC[N@H+]2C)c1C ZINC000462839162 564859732 /nfs/dbraw/zinc/85/97/32/564859732.db2.gz UJOPWHNCJDWKOG-HNNXBMFYSA-N 2 1 377.330 2.694 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1SCCc2sccc21 ZINC000463627263 564885298 /nfs/dbraw/zinc/88/52/98/564885298.db2.gz JGDAMDVTAQSPNH-YJBOKZPZSA-N 2 1 381.611 2.953 20 0 GFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000531959295 564924589 /nfs/dbraw/zinc/92/45/89/564924589.db2.gz JNOOPSDXIIMSOR-UKRRQHHQSA-N 2 1 398.345 2.696 20 0 GFADMP C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Br)c(Cl)c1 ZINC000657871243 565135118 /nfs/dbraw/zinc/13/51/18/565135118.db2.gz SXIAUSHXOXCUBM-GFCCVEGCSA-N 2 1 388.737 2.917 20 0 GFADMP O=C(CCC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000638132583 565186576 /nfs/dbraw/zinc/18/65/76/565186576.db2.gz RHDHFOQINROYIK-UHFFFAOYSA-N 2 1 380.330 2.529 20 0 GFADMP CN(CC(C)(C)[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000659469582 565218134 /nfs/dbraw/zinc/21/81/34/565218134.db2.gz OLEIQQQGDWDGCB-UHFFFAOYSA-N 2 1 397.361 2.792 20 0 GFADMP CN(CCC[N@H+](C)Cc1ccco1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639166385 565230195 /nfs/dbraw/zinc/23/01/95/565230195.db2.gz JEBQHXCMRRHUHJ-UHFFFAOYSA-N 2 1 385.917 2.534 20 0 GFADMP CN(CCC[N@@H+](C)Cc1ccco1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639166385 565230200 /nfs/dbraw/zinc/23/02/00/565230200.db2.gz JEBQHXCMRRHUHJ-UHFFFAOYSA-N 2 1 385.917 2.534 20 0 GFADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286412 /nfs/dbraw/zinc/28/64/12/565286412.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286416 /nfs/dbraw/zinc/28/64/16/565286416.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286422 /nfs/dbraw/zinc/28/64/22/565286422.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651805 565286427 /nfs/dbraw/zinc/28/64/27/565286427.db2.gz CKQZVEPYZCPRRJ-AEFFLSMTSA-N 2 1 383.330 2.607 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3ccc(Cl)cc3Br)nn2)CC1 ZINC000641046172 565343121 /nfs/dbraw/zinc/34/31/21/565343121.db2.gz HASNNZXPDGUIOA-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(Cl)cc(Br)c3)nn2)CC1 ZINC000641123103 565348471 /nfs/dbraw/zinc/34/84/71/565348471.db2.gz DWLPAIUMPMYISK-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP C[C@@H](c1cccc(Br)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641134809 565350159 /nfs/dbraw/zinc/35/01/59/565350159.db2.gz OZJLIWWHUSGSCX-ZDUSSCGKSA-N 2 1 378.318 2.616 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251912 565357860 /nfs/dbraw/zinc/35/78/60/565357860.db2.gz INPAFRGQOXCYIP-HOTGVXAUSA-N 2 1 384.307 2.917 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251912 565357864 /nfs/dbraw/zinc/35/78/64/565357864.db2.gz INPAFRGQOXCYIP-HOTGVXAUSA-N 2 1 384.307 2.917 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318827 565360158 /nfs/dbraw/zinc/36/01/58/565360158.db2.gz HGWFNLNHDXUADU-GJZGRUSLSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318827 565360161 /nfs/dbraw/zinc/36/01/61/565360161.db2.gz HGWFNLNHDXUADU-GJZGRUSLSA-N 2 1 391.339 2.776 20 0 GFADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662405978 565366110 /nfs/dbraw/zinc/36/61/10/565366110.db2.gz BSHVEPIAWFZQTD-LOUJCGABSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662405978 565366113 /nfs/dbraw/zinc/36/61/13/565366113.db2.gz BSHVEPIAWFZQTD-LOUJCGABSA-N 2 1 382.346 2.932 20 0 GFADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662419870 565367200 /nfs/dbraw/zinc/36/72/00/565367200.db2.gz ADANPYRZDWHPGB-LLVKDONJSA-N 2 1 386.359 2.964 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662419870 565367203 /nfs/dbraw/zinc/36/72/03/565367203.db2.gz ADANPYRZDWHPGB-LLVKDONJSA-N 2 1 386.359 2.964 20 0 GFADMP [NH3+][C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000662490245 565371388 /nfs/dbraw/zinc/37/13/88/565371388.db2.gz AVGVEJMHBKIJGH-QGZVFWFLSA-N 2 1 380.330 2.972 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662590835 565378415 /nfs/dbraw/zinc/37/84/15/565378415.db2.gz OVYXLZIABZXMBP-GFCCVEGCSA-N 2 1 398.370 2.966 20 0 GFADMP [NH3+][C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662577544 565378711 /nfs/dbraw/zinc/37/87/11/565378711.db2.gz JXHPHLNBBOGFCZ-XKQJLSEDSA-N 2 1 392.272 2.541 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662813470 565386035 /nfs/dbraw/zinc/38/60/35/565386035.db2.gz NENLKSHYZUOULM-ZYHUDNBSSA-N 2 1 384.343 2.718 20 0 GFADMP C[NH2+][C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cccc(Cl)c1Cl ZINC000662972050 565390514 /nfs/dbraw/zinc/39/05/14/565390514.db2.gz HNJFURWDNSLDKY-CXAGYDPISA-N 2 1 388.339 2.823 20 0 GFADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596652592 565530910 /nfs/dbraw/zinc/53/09/10/565530910.db2.gz VGTMEIAEZYHLMN-WFBYXXMGSA-N 2 1 394.684 2.787 20 0 GFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539054 565857767 /nfs/dbraw/zinc/85/77/67/565857767.db2.gz PSRPFFLPFCFTMP-XCRHUMRWSA-N 2 1 378.314 2.763 20 0 GFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629596454 565861722 /nfs/dbraw/zinc/86/17/22/565861722.db2.gz ZWGRIAKWEMJVAC-RYQLBKOJSA-N 2 1 378.314 2.634 20 0 GFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629596454 565861723 /nfs/dbraw/zinc/86/17/23/565861723.db2.gz ZWGRIAKWEMJVAC-RYQLBKOJSA-N 2 1 378.314 2.634 20 0 GFADMP Cc1nn(-c2ccc(Br)cc2)c(C)c1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629654594 565865388 /nfs/dbraw/zinc/86/53/88/565865388.db2.gz MXPVDSFWSRFKPC-UHFFFAOYSA-N 2 1 393.329 2.849 20 0 GFADMP CC[C@@H]1[C@@H](C(=O)NCCc2cn3cc(Br)cc(C)c3n2)CC[N@H+]1C ZINC000632439915 566033865 /nfs/dbraw/zinc/03/38/65/566033865.db2.gz MNYAIEWHKRRTDA-JKSUJKDBSA-N 2 1 393.329 2.794 20 0 GFADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000635693142 566223380 /nfs/dbraw/zinc/22/33/80/566223380.db2.gz YASSOZGHWCUCJW-INIZCTEOSA-N 2 1 394.357 2.872 20 0 GFADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000635693142 566223383 /nfs/dbraw/zinc/22/33/83/566223383.db2.gz YASSOZGHWCUCJW-INIZCTEOSA-N 2 1 394.357 2.872 20 0 GFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cc1-c1nn[nH]n1 ZINC000821809274 599422095 /nfs/dbraw/zinc/42/20/95/599422095.db2.gz NBKYNZFYWUNJLS-INIZCTEOSA-N 2 1 398.536 2.939 20 0 GFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1-c1nn[nH]n1 ZINC000821809274 599422097 /nfs/dbraw/zinc/42/20/97/599422097.db2.gz NBKYNZFYWUNJLS-INIZCTEOSA-N 2 1 398.536 2.939 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000826157718 608378302 /nfs/dbraw/zinc/37/83/02/608378302.db2.gz IHOBLVWJLWIANN-UHFFFAOYSA-N 2 1 390.507 2.576 20 0 GFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)C[C@H](C)O1 ZINC000824983728 608505157 /nfs/dbraw/zinc/50/51/57/608505157.db2.gz BZFUKCHUCXVYEL-YRNRMSPPSA-N 2 1 384.528 2.723 20 0 GFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625068 609406937 /nfs/dbraw/zinc/40/69/37/609406937.db2.gz FGFAEZPEAYJFRA-HRAATJIYSA-N 2 1 392.507 2.674 20 0 GFADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201793 609444057 /nfs/dbraw/zinc/44/40/57/609444057.db2.gz DNLAMTNLWVDORQ-VQIMIIECSA-N 2 1 392.507 2.876 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577218 660201192 /nfs/dbraw/zinc/20/11/92/660201192.db2.gz GDYLWJZIRYTPRF-OAHLLOKOSA-N 2 1 387.391 2.974 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818997775 660242663 /nfs/dbraw/zinc/24/26/63/660242663.db2.gz KUQKXRDINROASI-IRXDYDNUSA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818997775 660242664 /nfs/dbraw/zinc/24/26/64/660242664.db2.gz KUQKXRDINROASI-IRXDYDNUSA-N 2 1 388.339 2.559 20 0 GFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962274 654784684 /nfs/dbraw/zinc/78/46/84/654784684.db2.gz QYCUQKVFTLFISL-HOCLYGCPSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962274 654784687 /nfs/dbraw/zinc/78/46/87/654784687.db2.gz QYCUQKVFTLFISL-HOCLYGCPSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962274 654784692 /nfs/dbraw/zinc/78/46/92/654784692.db2.gz QYCUQKVFTLFISL-HOCLYGCPSA-N 2 1 395.345 2.979 20 0 GFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000270552697 655048913 /nfs/dbraw/zinc/04/89/13/655048913.db2.gz BSSNDBMCLRLWBV-AWEZNQCLSA-N 2 1 392.301 2.700 20 0 GFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000270552697 655048915 /nfs/dbraw/zinc/04/89/15/655048915.db2.gz BSSNDBMCLRLWBV-AWEZNQCLSA-N 2 1 392.301 2.700 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCSc3ccc(Br)cc32)CC1 ZINC000178672159 655307835 /nfs/dbraw/zinc/30/78/35/655307835.db2.gz XRCQFFRSWWVPGC-HNNXBMFYSA-N 2 1 398.370 2.740 20 0 GFADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000277329165 655313314 /nfs/dbraw/zinc/31/33/14/655313314.db2.gz CNWAYGMPZXTLHR-MSOLQXFVSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329165 655313315 /nfs/dbraw/zinc/31/33/15/655313315.db2.gz CNWAYGMPZXTLHR-MSOLQXFVSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329165 655313318 /nfs/dbraw/zinc/31/33/18/655313318.db2.gz CNWAYGMPZXTLHR-MSOLQXFVSA-N 2 1 383.330 2.891 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000746676413 655766416 /nfs/dbraw/zinc/76/64/16/655766416.db2.gz UVRLHZMAYXVRSY-ZWKOTPCHSA-N 2 1 385.346 2.915 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2cccc(Br)c2)C1 ZINC000746676413 655766417 /nfs/dbraw/zinc/76/64/17/655766417.db2.gz UVRLHZMAYXVRSY-ZWKOTPCHSA-N 2 1 385.346 2.915 20 0 GFADMP O[C@H](C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000786440140 657429131 /nfs/dbraw/zinc/42/91/31/657429131.db2.gz GKWDHKNICAHWTP-IBGZPJMESA-N 2 1 397.357 2.887 20 0 GFADMP O[C@H](C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1)C[NH+]1CCCC1 ZINC000786440140 657429137 /nfs/dbraw/zinc/42/91/37/657429137.db2.gz GKWDHKNICAHWTP-IBGZPJMESA-N 2 1 397.357 2.887 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Br)ccc1C ZINC000786863693 657476545 /nfs/dbraw/zinc/47/65/45/657476545.db2.gz GIHDYCFMYATEDU-OAHLLOKOSA-N 2 1 397.361 2.641 20 0 GFADMP CC(C)[N@@H+]1CCO[C@H](C(=[NH2+])NOCc2c(F)ccc(Br)c2F)C1 ZINC000797846351 659059882 /nfs/dbraw/zinc/05/98/82/659059882.db2.gz XIROBVANIVPCQD-ZDUSSCGKSA-N 2 1 392.244 2.835 20 0 GFADMP CC(C)[N@H+]1CCO[C@H](C(=[NH2+])NOCc2c(F)ccc(Br)c2F)C1 ZINC000797846351 659059890 /nfs/dbraw/zinc/05/98/90/659059890.db2.gz XIROBVANIVPCQD-ZDUSSCGKSA-N 2 1 392.244 2.835 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327319 661416118 /nfs/dbraw/zinc/41/61/18/661416118.db2.gz PSJPAWSAIXLPQP-AWEZNQCLSA-N 2 1 377.476 2.879 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327319 661416119 /nfs/dbraw/zinc/41/61/19/661416119.db2.gz PSJPAWSAIXLPQP-AWEZNQCLSA-N 2 1 377.476 2.879 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327319 661416133 /nfs/dbraw/zinc/41/61/33/661416133.db2.gz PSJPAWSAIXLPQP-AWEZNQCLSA-N 2 1 377.476 2.879 20 0 GFADMP [NH3+][C@@H]1CN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C[C@H]1c1ccccc1 ZINC000852829825 661875409 /nfs/dbraw/zinc/87/54/09/661875409.db2.gz OZHFNTBWHIFDDY-QWHCGFSZSA-N 2 1 392.322 2.681 20 0 GFADMP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 ZINC000859212104 662145380 /nfs/dbraw/zinc/14/53/80/662145380.db2.gz FIFBPLQLGJRJSF-UHFFFAOYSA-N 2 1 381.929 2.681 20 0 GFADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2cc(Cl)cc(S(N)(=O)=O)c2)cc1 ZINC000859212104 662145382 /nfs/dbraw/zinc/14/53/82/662145382.db2.gz FIFBPLQLGJRJSF-UHFFFAOYSA-N 2 1 381.929 2.681 20 0 GFADMP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(C(F)(F)F)s2)CC1 ZINC000863643111 662342045 /nfs/dbraw/zinc/34/20/45/662342045.db2.gz GRUCCMQHFRODBY-OLZOCXBDSA-N 2 1 375.416 2.524 20 0 GFADMP C[NH+]1CCC2(CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)CC1 ZINC000877191671 662872150 /nfs/dbraw/zinc/87/21/50/662872150.db2.gz AUTCJURFKJUSSN-MRXNPFEDSA-N 2 1 380.330 2.783 20 0 GFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1 ZINC000902374654 663760327 /nfs/dbraw/zinc/76/03/27/663760327.db2.gz CCRZANJYVHZESD-CYBMUJFWSA-N 2 1 378.460 2.977 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)[C@@H](C)C1 ZINC000903477492 663785291 /nfs/dbraw/zinc/78/52/91/663785291.db2.gz CNKLEILWXUNLOB-XHSDSOJGSA-N 2 1 399.377 2.687 20 0 GFADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819909 663807731 /nfs/dbraw/zinc/80/77/31/663807731.db2.gz PWIPBDZOBYOPND-OAHLLOKOSA-N 2 1 389.323 2.578 20 0 GFADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819909 663807732 /nfs/dbraw/zinc/80/77/32/663807732.db2.gz PWIPBDZOBYOPND-OAHLLOKOSA-N 2 1 389.323 2.578 20 0 GFADMP COc1ccc(Br)cc1C[N@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877004 663809795 /nfs/dbraw/zinc/80/97/95/663809795.db2.gz JVMCSKOJJNJYDC-AWEZNQCLSA-N 2 1 395.345 2.749 20 0 GFADMP COc1ccc(Br)cc1C[N@@H+](C)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903877004 663809797 /nfs/dbraw/zinc/80/97/97/663809797.db2.gz JVMCSKOJJNJYDC-AWEZNQCLSA-N 2 1 395.345 2.749 20 0 GFADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280875 664627365 /nfs/dbraw/zinc/62/73/65/664627365.db2.gz LEXRXBWSJPQGOP-AAEUAGOBSA-N 2 1 377.710 2.513 20 0 GFADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000923293761 664627699 /nfs/dbraw/zinc/62/76/99/664627699.db2.gz AUXWSUPYGQRVRJ-YMAMQOFZSA-N 2 1 375.282 2.530 20 0 GFADMP COC(=O)c1cc(Br)c(C[N@@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000923295350 664627750 /nfs/dbraw/zinc/62/77/50/664627750.db2.gz YGJUWRULQCXKHX-UHFFFAOYSA-N 2 1 385.302 2.946 20 0 GFADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479462 664631125 /nfs/dbraw/zinc/63/11/25/664631125.db2.gz PKDJMUZCXVZFBI-AAEUAGOBSA-N 2 1 377.710 2.513 20 0 GFADMP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000579767393 677673516 /nfs/dbraw/zinc/67/35/16/677673516.db2.gz FQLIULSIHCTDGI-HNNXBMFYSA-N 2 1 399.377 2.591 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1 ZINC001164415947 718885590 /nfs/dbraw/zinc/88/55/90/718885590.db2.gz OTVJJMXQHFSDIY-LJQANCHMSA-N 2 1 395.555 2.709 20 0 GFADMP c1ccc(C[N@H+]2C[C@H]3CCCN(c4ccc(OC5CC[NH2+]CC5)nn4)[C@@H]3C2)cc1 ZINC001164629012 719099996 /nfs/dbraw/zinc/09/99/96/719099996.db2.gz PUEHUSXUQKTNHH-TZIWHRDSSA-N 2 1 393.535 2.708 20 0 GFADMP Cc1nc(Cl)cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686116 719609890 /nfs/dbraw/zinc/60/98/90/719609890.db2.gz YGUPIMRJMHJCGE-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP Cc1nc(Cl)cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164686116 719609891 /nfs/dbraw/zinc/60/98/91/719609891.db2.gz YGUPIMRJMHJCGE-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(-c3ccccc3F)nn2)c2c1CC[NH2+]C2 ZINC001164680612 719645213 /nfs/dbraw/zinc/64/52/13/719645213.db2.gz YJUQMGUMUJIYSB-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(-c3ccccc3F)nn2)c2c1CC[NH2+]C2 ZINC001164680612 719645218 /nfs/dbraw/zinc/64/52/18/719645218.db2.gz YJUQMGUMUJIYSB-UHFFFAOYSA-N 2 1 380.471 2.954 20 0 GFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725325 720471455 /nfs/dbraw/zinc/47/14/55/720471455.db2.gz JOYIALITIRMLHC-YADHBBJMSA-N 2 1 393.535 2.803 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744451 720823399 /nfs/dbraw/zinc/82/33/99/720823399.db2.gz UGJYQFOSECMHNI-IRFCIJBXSA-N 2 1 378.524 2.541 20 0 GFADMP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744451 720823400 /nfs/dbraw/zinc/82/34/00/720823400.db2.gz UGJYQFOSECMHNI-IRFCIJBXSA-N 2 1 378.524 2.541 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@H]3[N@@H+]2CC2CC2)n1 ZINC001164744452 720823545 /nfs/dbraw/zinc/82/35/45/720823545.db2.gz UGJYQFOSECMHNI-SVFBPWRDSA-N 2 1 378.524 2.541 20 0 GFADMP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc5c([nH+]4)CCC5)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164744452 720823546 /nfs/dbraw/zinc/82/35/46/720823546.db2.gz UGJYQFOSECMHNI-SVFBPWRDSA-N 2 1 378.524 2.541 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152681864 551437923 /nfs/dbraw/zinc/43/79/23/551437923.db2.gz DPHFXADZFAPWNS-CPUCHLNUSA-N 2 1 382.346 2.887 20 0 GFADMP CC(C)[N@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162670531 551611497 /nfs/dbraw/zinc/61/14/97/551611497.db2.gz XTJJUMNZMXKLFI-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000162670531 551611498 /nfs/dbraw/zinc/61/14/98/551611498.db2.gz XTJJUMNZMXKLFI-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP CN(CC[N@@H+](C)CCOc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000180934447 552240734 /nfs/dbraw/zinc/24/07/34/552240734.db2.gz NMARFULGQQSJEZ-UHFFFAOYSA-N 2 1 384.362 2.786 20 0 GFADMP Brc1ccc(C[NH2+]CCC[NH+]2CCCC2)c(N2CCOCC2)c1 ZINC000188690833 552452117 /nfs/dbraw/zinc/45/21/17/552452117.db2.gz ZCAXNNSRUHWWRJ-UHFFFAOYSA-N 2 1 382.346 2.861 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188731966 552454165 /nfs/dbraw/zinc/45/41/65/552454165.db2.gz IMBUKVVKUGMSDA-OAHLLOKOSA-N 2 1 382.346 2.717 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000237111168 553074911 /nfs/dbraw/zinc/07/49/11/553074911.db2.gz PBLDDNRMRXSKKB-AWEZNQCLSA-N 2 1 398.345 2.867 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420411281 563263155 /nfs/dbraw/zinc/26/31/55/563263155.db2.gz YPJUDGUJVIQNCM-MAUKXSAKSA-N 2 1 394.357 2.872 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420411281 563263157 /nfs/dbraw/zinc/26/31/57/563263157.db2.gz YPJUDGUJVIQNCM-MAUKXSAKSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422947560 563351696 /nfs/dbraw/zinc/35/16/96/563351696.db2.gz YKVKZMSHXRZLSK-LESCRADOSA-N 2 1 393.325 2.737 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)C1=O ZINC000423102941 563355248 /nfs/dbraw/zinc/35/52/48/563355248.db2.gz FQONFFRPIFLGSH-XJKSGUPXSA-N 2 1 380.330 2.759 20 0 GFADMP CC[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155459 563357013 /nfs/dbraw/zinc/35/70/13/563357013.db2.gz LCXRANFPOAQRIO-XKQJLSEDSA-N 2 1 385.346 2.729 20 0 GFADMP CC(C)[N@@H+](C)CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425100889 563404188 /nfs/dbraw/zinc/40/41/88/563404188.db2.gz WUQHQIKZAJRTTL-UHFFFAOYSA-N 2 1 385.350 2.726 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1cccc(Br)c1 ZINC000428535607 563494488 /nfs/dbraw/zinc/49/44/88/563494488.db2.gz LLCGWWYJNQOSLF-HNNXBMFYSA-N 2 1 378.314 2.851 20 0 GFADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000430958302 563551061 /nfs/dbraw/zinc/55/10/61/563551061.db2.gz RZIGNGIMGBEBFG-GFCCVEGCSA-N 2 1 379.302 2.982 20 0 GFADMP CC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000360464816 563692739 /nfs/dbraw/zinc/69/27/39/563692739.db2.gz DGZCPFZVWUDGKF-LJQANCHMSA-N 2 1 394.357 2.919 20 0 GFADMP Brc1ccn2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)nc2c1 ZINC000290543023 563713537 /nfs/dbraw/zinc/71/35/37/563713537.db2.gz WEJDUCHINZLVMJ-UHFFFAOYSA-N 2 1 393.329 2.641 20 0 GFADMP COc1cc(C[NH2+]CCC[NH2+]C2CC2)cc(I)c1OC ZINC000415073963 563757839 /nfs/dbraw/zinc/75/78/39/563757839.db2.gz ZLJQTZHKALMYTN-UHFFFAOYSA-N 2 1 390.265 2.540 20 0 GFADMP Brc1cnc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c(Br)c1 ZINC000368080763 563863436 /nfs/dbraw/zinc/86/34/36/563863436.db2.gz IBJIRUXZSWYIJG-SECBINFHSA-N 2 1 386.091 2.977 20 0 GFADMP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417574800 563883982 /nfs/dbraw/zinc/88/39/82/563883982.db2.gz RXPAXWIAENFBLM-QGZVFWFLSA-N 2 1 385.339 2.994 20 0 GFADMP [NH3+][C@@H](CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417998443 563894395 /nfs/dbraw/zinc/89/43/95/563894395.db2.gz SXRCKTWNXZPRCL-KRWDZBQOSA-N 2 1 385.339 2.994 20 0 GFADMP Cc1cc(NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)ccc1Br ZINC000564656790 564243295 /nfs/dbraw/zinc/24/32/95/564243295.db2.gz HQIIRHIHOQSSMC-AEFFLSMTSA-N 2 1 396.329 2.524 20 0 GFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000566245428 564319470 /nfs/dbraw/zinc/31/94/70/564319470.db2.gz RSHNFWPTMGDUDN-BZSNNMDCSA-N 2 1 391.309 2.793 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000453104638 564446598 /nfs/dbraw/zinc/44/65/98/564446598.db2.gz FOHXXMVXSFQBOT-GOSISDBHSA-N 2 1 394.357 2.524 20 0 GFADMP N[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647992 564508245 /nfs/dbraw/zinc/50/82/45/564508245.db2.gz HBYPZRLHDNHKBQ-RDJZCZTQSA-N 2 1 378.929 2.967 20 0 GFADMP N[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647992 564508250 /nfs/dbraw/zinc/50/82/50/564508250.db2.gz HBYPZRLHDNHKBQ-RDJZCZTQSA-N 2 1 378.929 2.967 20 0 GFADMP C(CC[NH+]1CCO[C@]2(CCSC2)C1)CC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000573560751 564643365 /nfs/dbraw/zinc/64/33/65/564643365.db2.gz BONNNDCZJPETDV-RTBURBONSA-N 2 1 386.627 2.573 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1O ZINC000573576737 564644172 /nfs/dbraw/zinc/64/41/72/564644172.db2.gz WIYVARLHYYPAJJ-CRAIPNDOSA-N 2 1 399.329 2.882 20 0 GFADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677167 564662119 /nfs/dbraw/zinc/66/21/19/564662119.db2.gz OLDINTKANLWNFN-KBXCAEBGSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000486677167 564662120 /nfs/dbraw/zinc/66/21/20/564662120.db2.gz OLDINTKANLWNFN-KBXCAEBGSA-N 2 1 394.357 2.727 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088667 564676160 /nfs/dbraw/zinc/67/61/60/564676160.db2.gz OYMTUZTZXVZBNZ-MBNYWOFBSA-N 2 1 394.368 2.590 20 0 GFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685735 564756963 /nfs/dbraw/zinc/75/69/63/564756963.db2.gz BEYLLRRBRKRASV-QGTPRVQTSA-N 2 1 385.321 2.956 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000493948613 564813876 /nfs/dbraw/zinc/81/38/76/564813876.db2.gz HHJFSBPQNDMLLY-LBPRGKRZSA-N 2 1 378.464 2.650 20 0 GFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000660036761 565241629 /nfs/dbraw/zinc/24/16/29/565241629.db2.gz NXNFPCKZNZBXFT-KRWDZBQOSA-N 2 1 385.346 2.746 20 0 GFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2cccc(Br)c2)CCOCC1 ZINC000660036761 565241633 /nfs/dbraw/zinc/24/16/33/565241633.db2.gz NXNFPCKZNZBXFT-KRWDZBQOSA-N 2 1 385.346 2.746 20 0 GFADMP Cc1c(Br)ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1F ZINC000617507480 565244428 /nfs/dbraw/zinc/24/44/28/565244428.db2.gz YMZGDYMCBLFIHU-LBPRGKRZSA-N 2 1 388.325 2.898 20 0 GFADMP Cc1c(Br)ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1F ZINC000617507480 565244432 /nfs/dbraw/zinc/24/44/32/565244432.db2.gz YMZGDYMCBLFIHU-LBPRGKRZSA-N 2 1 388.325 2.898 20 0 GFADMP Cc1cc(Br)c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000662242748 565357744 /nfs/dbraw/zinc/35/77/44/565357744.db2.gz IHMZRGQGUNNCRO-GFCCVEGCSA-N 2 1 388.737 2.698 20 0 GFADMP Cc1cc(Br)c(C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000662242748 565357750 /nfs/dbraw/zinc/35/77/50/565357750.db2.gz IHMZRGQGUNNCRO-GFCCVEGCSA-N 2 1 388.737 2.698 20 0 GFADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000662387172 565364927 /nfs/dbraw/zinc/36/49/27/565364927.db2.gz IUNPPTHYADURHP-MNOVXSKESA-N 2 1 386.359 2.964 20 0 GFADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCC[C@@H](C)C1 ZINC000662387172 565364930 /nfs/dbraw/zinc/36/49/30/565364930.db2.gz IUNPPTHYADURHP-MNOVXSKESA-N 2 1 386.359 2.964 20 0 GFADMP C[NH2+][C@H](C(=O)NC1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1Cl ZINC000662439003 565367867 /nfs/dbraw/zinc/36/78/67/565367867.db2.gz HMQOSDSBWFNLJL-KRWDZBQOSA-N 2 1 388.339 2.871 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662698234 565382440 /nfs/dbraw/zinc/38/24/40/565382440.db2.gz JWVWXRHINOQBKA-CZUORRHYSA-N 2 1 375.460 2.618 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793056 565417394 /nfs/dbraw/zinc/41/73/94/565417394.db2.gz BXRPFJQVWFGWSN-DZGCQCFKSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642793056 565417395 /nfs/dbraw/zinc/41/73/95/565417395.db2.gz BXRPFJQVWFGWSN-DZGCQCFKSA-N 2 1 385.961 2.730 20 0 GFADMP Ic1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594995055 565441314 /nfs/dbraw/zinc/44/13/14/565441314.db2.gz YSBKJVMNDZNVER-INIZCTEOSA-N 2 1 386.277 2.634 20 0 GFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H]2CCCCc3ccc(Br)cc32)n1 ZINC000665293201 565495921 /nfs/dbraw/zinc/49/59/21/565495921.db2.gz VJBSXPMVNIIHEP-HNNXBMFYSA-N 2 1 377.286 2.961 20 0 GFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)c(Br)c1 ZINC000647492295 565661918 /nfs/dbraw/zinc/66/19/18/565661918.db2.gz AGOXWLIPXCGBMI-UHFFFAOYSA-N 2 1 396.251 2.685 20 0 GFADMP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000647969590 565686481 /nfs/dbraw/zinc/68/64/81/565686481.db2.gz FUKQOUKIQWVYMZ-KRWDZBQOSA-N 2 1 388.383 2.855 20 0 GFADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000647969590 565686484 /nfs/dbraw/zinc/68/64/84/565686484.db2.gz FUKQOUKIQWVYMZ-KRWDZBQOSA-N 2 1 388.383 2.855 20 0 GFADMP C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000669582577 565694655 /nfs/dbraw/zinc/69/46/55/565694655.db2.gz AIHYAYGKIZVJFQ-RISCZKNCSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000669582577 565694657 /nfs/dbraw/zinc/69/46/57/565694657.db2.gz AIHYAYGKIZVJFQ-RISCZKNCSA-N 2 1 380.842 2.912 20 0 GFADMP CCCOc1c(Br)cc(C[NH2+]CC2([NH3+])CCOCC2)cc1OC ZINC000629389199 565849833 /nfs/dbraw/zinc/84/98/33/565849833.db2.gz ZKJJZJRCYPLNJI-UHFFFAOYSA-N 2 1 387.318 2.844 20 0 GFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602527965 565852712 /nfs/dbraw/zinc/85/27/12/565852712.db2.gz KVJUVJOYIXXTOZ-UHFFFAOYSA-N 2 1 380.295 2.553 20 0 GFADMP COc1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194834 607504785 /nfs/dbraw/zinc/50/47/85/607504785.db2.gz XPQCRXKGDABGNZ-MRXNPFEDSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194834 607504786 /nfs/dbraw/zinc/50/47/86/607504786.db2.gz XPQCRXKGDABGNZ-MRXNPFEDSA-N 2 1 379.468 2.513 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1 ZINC000826157982 608378240 /nfs/dbraw/zinc/37/82/40/608378240.db2.gz UXIHOPZPYMAHBC-UHFFFAOYSA-N 2 1 390.507 2.576 20 0 GFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824984986 609138527 /nfs/dbraw/zinc/13/85/27/609138527.db2.gz QAHSWCORUOUSAE-QLFBSQMISA-N 2 1 376.480 2.546 20 0 GFADMP Cn1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361041 609337727 /nfs/dbraw/zinc/33/77/27/609337727.db2.gz JFFJSQWBMXCNPR-UHFFFAOYSA-N 2 1 394.527 2.620 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)CCc2ccc(Br)cc2)CC1 ZINC000106861649 655112609 /nfs/dbraw/zinc/11/26/09/655112609.db2.gz PPSJYMZJFCIRBO-UHFFFAOYSA-N 2 1 382.346 2.524 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc(Cl)ccc1Br ZINC000877040470 662870060 /nfs/dbraw/zinc/87/00/60/662870060.db2.gz DAZSKAFZQUBSMB-GFCCVEGCSA-N 2 1 376.726 2.824 20 0 GFADMP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000891682226 663347329 /nfs/dbraw/zinc/34/73/29/663347329.db2.gz SKSLJZJONKMUKV-XJKSGUPXSA-N 2 1 395.345 2.545 20 0 GFADMP Brc1ccc([C@H]2C[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727908 663805304 /nfs/dbraw/zinc/80/53/04/663805304.db2.gz ZDJZUQDTEMHOIL-QZTJIDSGSA-N 2 1 395.341 2.981 20 0 GFADMP Brc1ccc([C@H]2C[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727908 663805306 /nfs/dbraw/zinc/80/53/06/663805306.db2.gz ZDJZUQDTEMHOIL-QZTJIDSGSA-N 2 1 395.341 2.981 20 0 GFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923371591 664629081 /nfs/dbraw/zinc/62/90/81/664629081.db2.gz ZFQJITYYNQOIPI-SMDDNHRTSA-N 2 1 379.726 2.805 20 0 GFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923393826 664629430 /nfs/dbraw/zinc/62/94/30/664629430.db2.gz YQADRDXDAMVZMG-WXHSDQCUSA-N 2 1 377.710 2.654 20 0 GFADMP C[NH+](C)CC1(O)CC[NH+](Cc2ncc(-c3cccc(Br)c3)o2)CC1 ZINC000931485944 664796225 /nfs/dbraw/zinc/79/62/25/664796225.db2.gz UDAUBLFNRBJXON-UHFFFAOYSA-N 2 1 394.313 2.993 20 0 GFADMP Clc1nc2c(c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n1)CC[NH2+]C2 ZINC001164628643 719062419 /nfs/dbraw/zinc/06/24/19/719062419.db2.gz SZZWFHIJQHDZCB-VQIMIIECSA-N 2 1 383.927 2.877 20 0 GFADMP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1cc(Cl)nc3c1CC[NH2+]C3)CC2 ZINC001164652866 719314131 /nfs/dbraw/zinc/31/41/31/719314131.db2.gz RXPKLLMWYXNUIZ-UHFFFAOYSA-N 2 1 388.947 2.782 20 0 GFADMP COC(=O)c1ccc2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164685075 719617469 /nfs/dbraw/zinc/61/74/69/719617469.db2.gz QPGLJIFKEPLUPV-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC(=O)c1ccc2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2c1 ZINC001164685075 719617477 /nfs/dbraw/zinc/61/74/77/719617477.db2.gz QPGLJIFKEPLUPV-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ccc(C(=O)OC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164681533 719621190 /nfs/dbraw/zinc/62/11/90/719621190.db2.gz HOPLDJRZWOLDGH-UHFFFAOYSA-N 2 1 385.512 2.709 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ccc(C(=O)OC(C)(C)C)cn2)c2c1CC[NH2+]C2 ZINC001164681533 719621194 /nfs/dbraw/zinc/62/11/94/719621194.db2.gz HOPLDJRZWOLDGH-UHFFFAOYSA-N 2 1 385.512 2.709 20 0 GFADMP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164686495 719723093 /nfs/dbraw/zinc/72/30/93/719723093.db2.gz OSMSVDOJXUVDOB-UHFFFAOYSA-N 2 1 396.539 2.727 20 0 GFADMP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cnc3c1ccn3C1CCCC1)CC2 ZINC001164686495 719723103 /nfs/dbraw/zinc/72/31/03/719723103.db2.gz OSMSVDOJXUVDOB-UHFFFAOYSA-N 2 1 396.539 2.727 20 0 GFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ncc(C)c(C4C[NH2+]C4)n2)CC3)cs1 ZINC001164700840 719816962 /nfs/dbraw/zinc/81/69/62/719816962.db2.gz MODVSOOYHVYGAC-UHFFFAOYSA-N 2 1 398.580 2.872 20 0 GFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164721693 720361448 /nfs/dbraw/zinc/36/14/48/720361448.db2.gz DARYETJQVZBVEJ-MOPGFXCFSA-N 2 1 398.942 2.845 20 0 GFADMP C[N@@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164840943 720668853 /nfs/dbraw/zinc/66/88/53/720668853.db2.gz OCXIKHMYTOCAIG-NRFANRHFSA-N 2 1 392.547 2.987 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1nccc(C3CC[NH2+]CC3)n1)[C@H]2C ZINC001164859696 720981703 /nfs/dbraw/zinc/98/17/03/720981703.db2.gz LKMDWHILAORANI-INIZCTEOSA-N 2 1 383.544 2.562 20 0 GFADMP COc1cc(N2C[C@@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]c2ccccc21 ZINC001164764221 721171691 /nfs/dbraw/zinc/17/16/91/721171691.db2.gz GOURVROWXGVCNF-ZWKOTPCHSA-N 2 1 377.492 2.935 20 0 GFADMP COc1cc(N2C[C@@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]c2ccccc21 ZINC001164764221 721171697 /nfs/dbraw/zinc/17/16/97/721171697.db2.gz GOURVROWXGVCNF-ZWKOTPCHSA-N 2 1 377.492 2.935 20 0 GFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164775953 721337048 /nfs/dbraw/zinc/33/70/48/721337048.db2.gz BBCJCKXOXGTLKI-JOCHJYFZSA-N 2 1 399.539 2.871 20 0 GFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)cn1 ZINC000126392899 551329165 /nfs/dbraw/zinc/32/91/65/551329165.db2.gz WDWDCINQYGVWBX-GFCCVEGCSA-N 2 1 375.274 2.713 20 0 GFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000130934313 551370294 /nfs/dbraw/zinc/37/02/94/551370294.db2.gz INFZLUGMSDANGM-UHFFFAOYSA-N 2 1 399.358 2.996 20 0 GFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)Cc1cc(Br)cs1 ZINC000130934313 551370296 /nfs/dbraw/zinc/37/02/96/551370296.db2.gz INFZLUGMSDANGM-UHFFFAOYSA-N 2 1 399.358 2.996 20 0 GFADMP [NH3+]CCc1nc(C(=O)NC[C@@H](c2cccc(Cl)c2)[NH+]2CCCC2)cs1 ZINC000262323415 553169091 /nfs/dbraw/zinc/16/90/91/553169091.db2.gz CWHXSZOUYVTLGW-INIZCTEOSA-N 2 1 378.929 2.865 20 0 GFADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CC[NH2+]1 ZINC000262341584 553169291 /nfs/dbraw/zinc/16/92/91/553169291.db2.gz HCJSIQVEYMUCGD-HOCLYGCPSA-N 2 1 394.357 2.918 20 0 GFADMP Brc1cccc([C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489208 563361486 /nfs/dbraw/zinc/36/14/86/563361486.db2.gz FOQRAWICUCPNNE-QZTJIDSGSA-N 2 1 383.330 2.885 20 0 GFADMP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Br)cc1Cl ZINC000320832296 563447135 /nfs/dbraw/zinc/44/71/35/563447135.db2.gz GEKPLUVTAZLLPC-TXEJJXNPSA-N 2 1 386.721 2.972 20 0 GFADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Br)cc1Cl ZINC000320832296 563447138 /nfs/dbraw/zinc/44/71/38/563447138.db2.gz GEKPLUVTAZLLPC-TXEJJXNPSA-N 2 1 386.721 2.972 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1cccc(Br)c1 ZINC000428535609 563494380 /nfs/dbraw/zinc/49/43/80/563494380.db2.gz LLCGWWYJNQOSLF-OAHLLOKOSA-N 2 1 378.314 2.851 20 0 GFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078311 563619258 /nfs/dbraw/zinc/61/92/58/563619258.db2.gz AGRLGWGQQKJSNG-YJBOKZPZSA-N 2 1 397.313 2.896 20 0 GFADMP COCCC[N@H+]1CCCN(Cc2cnc3ccc(Br)cn23)CC1 ZINC000362385563 563706212 /nfs/dbraw/zinc/70/62/12/563706212.db2.gz BRJPOKDXLNJESZ-UHFFFAOYSA-N 2 1 381.318 2.641 20 0 GFADMP C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000439444011 563725523 /nfs/dbraw/zinc/72/55/23/563725523.db2.gz BGSHVEAVEUXADS-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000439444011 563725524 /nfs/dbraw/zinc/72/55/24/563725524.db2.gz BGSHVEAVEUXADS-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@H](O)COc1cc(F)cc(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000439444011 563725527 /nfs/dbraw/zinc/72/55/27/563725527.db2.gz BGSHVEAVEUXADS-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741671 563751649 /nfs/dbraw/zinc/75/16/49/563751649.db2.gz FMEVWRSVOYKDEA-DZGCQCFKSA-N 2 1 386.323 2.644 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000416028494 563803212 /nfs/dbraw/zinc/80/32/12/563803212.db2.gz JZPGPOOADFFOAB-IHRRRGAJSA-N 2 1 378.826 2.664 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@@H]1c1ccc(Cl)cc1 ZINC000416028494 563803216 /nfs/dbraw/zinc/80/32/16/563803216.db2.gz JZPGPOOADFFOAB-IHRRRGAJSA-N 2 1 378.826 2.664 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000471188312 564188265 /nfs/dbraw/zinc/18/82/65/564188265.db2.gz PWSWFQBKDPFVPM-UHFFFAOYSA-N 2 1 387.355 2.891 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000472746129 564232488 /nfs/dbraw/zinc/23/24/88/564232488.db2.gz GLRSWNHLXNGRDC-QGZVFWFLSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2cccc(Br)c2)CC1 ZINC000472746129 564232494 /nfs/dbraw/zinc/23/24/94/564232494.db2.gz GLRSWNHLXNGRDC-QGZVFWFLSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000514239790 564448254 /nfs/dbraw/zinc/44/82/54/564448254.db2.gz RVQZPYTXBGXGCG-CYBMUJFWSA-N 2 1 386.359 2.812 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Br)s2)CC1 ZINC000514239790 564448260 /nfs/dbraw/zinc/44/82/60/564448260.db2.gz RVQZPYTXBGXGCG-CYBMUJFWSA-N 2 1 386.359 2.812 20 0 GFADMP C[C@@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000516088042 564492921 /nfs/dbraw/zinc/49/29/21/564492921.db2.gz HTIHCECJLBNANC-AWEZNQCLSA-N 2 1 397.361 2.726 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cccc(Br)c2)CC1 ZINC000516209376 564497167 /nfs/dbraw/zinc/49/71/67/564497167.db2.gz HCSQATBRACUFAL-UHFFFAOYSA-N 2 1 375.270 2.848 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)cc2)CC1 ZINC000517650836 564539268 /nfs/dbraw/zinc/53/92/68/564539268.db2.gz NTPIZPIPSJMELL-UHFFFAOYSA-N 2 1 375.270 2.848 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733432 564603958 /nfs/dbraw/zinc/60/39/58/564603958.db2.gz FCQABCNKKQSUSE-KRWDZBQOSA-N 2 1 380.374 2.924 20 0 GFADMP CN(CC[N@@H+](C)Cc1cc2c(c(Br)c1)OCO2)C1CC[NH+](C)CC1 ZINC000576060296 564705862 /nfs/dbraw/zinc/70/58/62/564705862.db2.gz LFLDWWPTYYFXFJ-UHFFFAOYSA-N 2 1 398.345 2.636 20 0 GFADMP CC(=O)NCC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(Br)s1 ZINC000576288821 564711681 /nfs/dbraw/zinc/71/16/81/564711681.db2.gz GZIGPTDPFGSMEM-UHFFFAOYSA-N 2 1 399.358 2.815 20 0 GFADMP CC(=O)NCC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(Br)s1 ZINC000576288821 564711685 /nfs/dbraw/zinc/71/16/85/564711685.db2.gz GZIGPTDPFGSMEM-UHFFFAOYSA-N 2 1 399.358 2.815 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1Br ZINC000580565422 564764714 /nfs/dbraw/zinc/76/47/14/564764714.db2.gz LCHYEWUCYQFMRM-UHFFFAOYSA-N 2 1 383.315 2.721 20 0 GFADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCc1cccc(Cl)c1Cl ZINC000580714894 564771282 /nfs/dbraw/zinc/77/12/82/564771282.db2.gz NFDWNJZJSVDECK-HZPDHXFCSA-N 2 1 384.351 2.974 20 0 GFADMP COC[C@@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CCCC[NH2+]1 ZINC000638294439 565191277 /nfs/dbraw/zinc/19/12/77/565191277.db2.gz QTPBOHJHHZATCO-QGZVFWFLSA-N 2 1 384.318 2.608 20 0 GFADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@H](C)C1 ZINC000659260844 565209324 /nfs/dbraw/zinc/20/93/24/565209324.db2.gz QSEGRGBDNJEVLF-PWSUYJOCSA-N 2 1 386.359 2.916 20 0 GFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@H](C)C1 ZINC000659260844 565209327 /nfs/dbraw/zinc/20/93/27/565209327.db2.gz QSEGRGBDNJEVLF-PWSUYJOCSA-N 2 1 386.359 2.916 20 0 GFADMP C[NH+]1CCC(n2cc(NC(=O)[C@@H]([NH3+])c3ccccc3Br)cn2)CC1 ZINC000638977714 565219748 /nfs/dbraw/zinc/21/97/48/565219748.db2.gz OOKMDUGMCRMQCQ-INIZCTEOSA-N 2 1 392.301 2.551 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000617506177 565242641 /nfs/dbraw/zinc/24/26/41/565242641.db2.gz DOWJJCKRFOLDHR-GJZGRUSLSA-N 2 1 384.362 2.941 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000617506177 565242645 /nfs/dbraw/zinc/24/26/45/565242645.db2.gz DOWJJCKRFOLDHR-GJZGRUSLSA-N 2 1 384.362 2.941 20 0 GFADMP Cc1ccc(F)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1Br ZINC000617507398 565244158 /nfs/dbraw/zinc/24/41/58/565244158.db2.gz VIYZYAQMYBUUTC-ZDUSSCGKSA-N 2 1 388.325 2.898 20 0 GFADMP Cc1ccc(F)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000617507398 565244163 /nfs/dbraw/zinc/24/41/63/565244163.db2.gz VIYZYAQMYBUUTC-ZDUSSCGKSA-N 2 1 388.325 2.898 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3ccc(Cl)cc3Cl)nn2)CC1 ZINC000640797142 565328091 /nfs/dbraw/zinc/32/80/91/565328091.db2.gz WHEIKWKRFCWSSI-UHFFFAOYSA-N 2 1 384.311 2.630 20 0 GFADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286578 565359348 /nfs/dbraw/zinc/35/93/48/565359348.db2.gz QVCUQPREZNFRSB-APHBMKBZSA-N 2 1 384.318 2.571 20 0 GFADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286578 565359352 /nfs/dbraw/zinc/35/93/52/565359352.db2.gz QVCUQPREZNFRSB-APHBMKBZSA-N 2 1 384.318 2.571 20 0 GFADMP N[C@@H](C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341497 565362199 /nfs/dbraw/zinc/36/21/99/565362199.db2.gz QMHLJBYGWKXWFA-MAUKXSAKSA-N 2 1 388.309 2.840 20 0 GFADMP [NH3+][C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341497 565362204 /nfs/dbraw/zinc/36/22/04/565362204.db2.gz QMHLJBYGWKXWFA-MAUKXSAKSA-N 2 1 388.309 2.840 20 0 GFADMP C[NH2+][C@@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489217 565371134 /nfs/dbraw/zinc/37/11/34/565371134.db2.gz KJWOYTRBOMYQKJ-ZBFHGGJFSA-N 2 1 376.353 2.807 20 0 GFADMP O=C(NCC1CC[NH+](C2CC2)CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662546232 565376299 /nfs/dbraw/zinc/37/62/99/565376299.db2.gz VOADUNDBXGYBOX-UHFFFAOYSA-N 2 1 384.343 2.718 20 0 GFADMP CC1(C)CC[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000662750335 565384554 /nfs/dbraw/zinc/38/45/54/565384554.db2.gz BSYSDTWAARALQC-KRWDZBQOSA-N 2 1 394.357 2.918 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000663004865 565391849 /nfs/dbraw/zinc/39/18/49/565391849.db2.gz SFSWEFPBSRTJFW-LBPRGKRZSA-N 2 1 398.370 2.966 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000663004865 565391853 /nfs/dbraw/zinc/39/18/53/565391853.db2.gz SFSWEFPBSRTJFW-LBPRGKRZSA-N 2 1 398.370 2.966 20 0 GFADMP O=C(NCC1CC[NH+](CC2CC2)CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662983908 565392483 /nfs/dbraw/zinc/39/24/83/565392483.db2.gz YICQRHARKCNLST-UHFFFAOYSA-N 2 1 398.370 2.966 20 0 GFADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466024 565422376 /nfs/dbraw/zinc/42/23/76/565422376.db2.gz NDBNINFGEIDZME-HOCLYGCPSA-N 2 1 382.346 2.711 20 0 GFADMP CC[C@@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547468 565435741 /nfs/dbraw/zinc/43/57/41/565435741.db2.gz FVXVKCLJCYNOKM-GDBMZVCRSA-N 2 1 385.961 2.964 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644532053 565480341 /nfs/dbraw/zinc/48/03/41/565480341.db2.gz XCVUKBNMRLYSCH-NVXWUHKLSA-N 2 1 385.346 2.899 20 0 GFADMP COCCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Br)cc1 ZINC000665292099 565496030 /nfs/dbraw/zinc/49/60/30/565496030.db2.gz SIXXQXRSTZNSQC-OAHLLOKOSA-N 2 1 395.301 2.661 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000665760683 565511432 /nfs/dbraw/zinc/51/14/32/565511432.db2.gz MXEUOXUZWDJBHM-AWEZNQCLSA-N 2 1 397.361 2.746 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1Cc2cccc(Br)c2C1 ZINC000665760683 565511434 /nfs/dbraw/zinc/51/14/34/565511434.db2.gz MXEUOXUZWDJBHM-AWEZNQCLSA-N 2 1 397.361 2.746 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(F)ccc1Br ZINC000666323866 565531762 /nfs/dbraw/zinc/53/17/62/565531762.db2.gz BTTWWUVCMWGOPH-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(F)ccc1Br ZINC000666323866 565531767 /nfs/dbraw/zinc/53/17/67/565531767.db2.gz BTTWWUVCMWGOPH-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP Cc1ccc(Br)cc1[C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000623888615 565533894 /nfs/dbraw/zinc/53/38/94/565533894.db2.gz NHLATHLZDJAWRU-GJZGRUSLSA-N 2 1 382.346 2.996 20 0 GFADMP Brc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000647791449 565677270 /nfs/dbraw/zinc/67/72/70/565677270.db2.gz DGSUKXZNMSSYFB-KCQAQPDRSA-N 2 1 376.302 2.712 20 0 GFADMP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000647969591 565686227 /nfs/dbraw/zinc/68/62/27/565686227.db2.gz FUKQOUKIQWVYMZ-QGZVFWFLSA-N 2 1 388.383 2.855 20 0 GFADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000647969591 565686232 /nfs/dbraw/zinc/68/62/32/565686232.db2.gz FUKQOUKIQWVYMZ-QGZVFWFLSA-N 2 1 388.383 2.855 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CC[C@@H]1C(F)(F)F ZINC000629563388 565858805 /nfs/dbraw/zinc/85/88/05/565858805.db2.gz DXUKPQKTJKWZNO-KBPBESRZSA-N 2 1 377.838 2.805 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)NCc2ccccc2Cl)CC[C@H]1C(F)(F)F ZINC000629563391 565859394 /nfs/dbraw/zinc/85/93/94/565859394.db2.gz DXUKPQKTJKWZNO-ZIAGYGMSSA-N 2 1 377.838 2.805 20 0 GFADMP O[C@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675509761 565907129 /nfs/dbraw/zinc/90/71/29/565907129.db2.gz BHQHTVVKYXDQSZ-HNNXBMFYSA-N 2 1 382.291 2.950 20 0 GFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631042593 565935411 /nfs/dbraw/zinc/93/54/11/565935411.db2.gz JSLLZXRBLKBEBF-GASCZTMLSA-N 2 1 387.977 2.835 20 0 GFADMP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939749 566219422 /nfs/dbraw/zinc/21/94/22/566219422.db2.gz KNBDBLJNSLCKPO-WCXIOVBPSA-N 2 1 383.989 2.890 20 0 GFADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194823 607494736 /nfs/dbraw/zinc/49/47/36/607494736.db2.gz XLZPEYXCGFELCI-GOSISDBHSA-N 2 1 384.528 2.963 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1-c1nn[nH]n1 ZINC000826194823 607494738 /nfs/dbraw/zinc/49/47/38/607494738.db2.gz XLZPEYXCGFELCI-GOSISDBHSA-N 2 1 384.528 2.963 20 0 GFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)CC2)oc1C ZINC000822439945 606218870 /nfs/dbraw/zinc/21/88/70/606218870.db2.gz GEYTXNLKOJWWPJ-UHFFFAOYSA-N 2 1 387.513 2.535 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820705033 606914916 /nfs/dbraw/zinc/91/49/16/606914916.db2.gz RQHKVEQICCGNDB-LAUBAEHRSA-N 2 1 398.555 2.877 20 0 GFADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000824400521 608136278 /nfs/dbraw/zinc/13/62/78/608136278.db2.gz IZSVNFVNXJJCHQ-INIZCTEOSA-N 2 1 394.527 2.621 20 0 GFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000824893850 608281281 /nfs/dbraw/zinc/28/12/81/608281281.db2.gz VSIHSZMDGBLCIZ-FXAWDEMLSA-N 2 1 392.507 2.888 20 0 GFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000824893850 608281282 /nfs/dbraw/zinc/28/12/82/608281282.db2.gz VSIHSZMDGBLCIZ-FXAWDEMLSA-N 2 1 392.507 2.888 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1(C)C ZINC000817584038 660201736 /nfs/dbraw/zinc/20/17/36/660201736.db2.gz QPGCJBJOIBQCOW-AWEZNQCLSA-N 2 1 387.391 2.972 20 0 GFADMP CC(C)c1[nH+]ccn1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000828965457 660577115 /nfs/dbraw/zinc/57/71/15/660577115.db2.gz LQPHVZYBAHEWII-QGZVFWFLSA-N 2 1 379.302 2.759 20 0 GFADMP CC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC1 ZINC000271706291 655092027 /nfs/dbraw/zinc/09/20/27/655092027.db2.gz NLXJMRLHCJVBIS-UHFFFAOYSA-N 2 1 382.346 2.860 20 0 GFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112374298 655190411 /nfs/dbraw/zinc/19/04/11/655190411.db2.gz LLGFBGIOSHTUSH-AWEZNQCLSA-N 2 1 392.345 2.565 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)s1 ZINC000119361807 655300732 /nfs/dbraw/zinc/30/07/32/655300732.db2.gz SODCTSMTCMSWEW-NVXWUHKLSA-N 2 1 387.615 2.641 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261931935 655443050 /nfs/dbraw/zinc/44/30/50/655443050.db2.gz LQAMIZNTLOSLKX-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261931935 655443052 /nfs/dbraw/zinc/44/30/52/655443052.db2.gz LQAMIZNTLOSLKX-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccnc(Br)c3)CC2)CC1 ZINC000815092641 660111258 /nfs/dbraw/zinc/11/12/58/660111258.db2.gz MZUFEMZSWBWQBQ-UHFFFAOYSA-N 2 1 381.362 2.694 20 0 GFADMP C[N@@H+](Cc1ccc(Br)cc1N1CCOCC1)C1CCC([NH3+])CC1 ZINC000843054860 661365561 /nfs/dbraw/zinc/36/55/61/661365561.db2.gz LEDUVIBYWMXPKS-UHFFFAOYSA-N 2 1 382.346 2.987 20 0 GFADMP Brc1ccc2nc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000843122849 661370435 /nfs/dbraw/zinc/37/04/35/661370435.db2.gz OUAJMXRUCOHAOJ-ZDUSSCGKSA-N 2 1 381.343 2.538 20 0 GFADMP Brc1ccc2nc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000843122849 661370441 /nfs/dbraw/zinc/37/04/41/661370441.db2.gz OUAJMXRUCOHAOJ-ZDUSSCGKSA-N 2 1 381.343 2.538 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327324 661415599 /nfs/dbraw/zinc/41/55/99/661415599.db2.gz PSJPAWSAIXLPQP-CQSZACIVSA-N 2 1 377.476 2.879 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327324 661415610 /nfs/dbraw/zinc/41/56/10/661415610.db2.gz PSJPAWSAIXLPQP-CQSZACIVSA-N 2 1 377.476 2.879 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCNC(=O)C(F)(F)F)C2)s1 ZINC000844327324 661415627 /nfs/dbraw/zinc/41/56/27/661415627.db2.gz PSJPAWSAIXLPQP-CQSZACIVSA-N 2 1 377.476 2.879 20 0 GFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cnc(Br)n1 ZINC000851889485 661843667 /nfs/dbraw/zinc/84/36/67/661843667.db2.gz KVPCAUAWFLHAEU-UHFFFAOYSA-N 2 1 393.333 2.674 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287396 662893139 /nfs/dbraw/zinc/89/31/39/662893139.db2.gz AYPGDCVHJSLMPN-BDXSIMOUSA-N 2 1 383.330 2.666 20 0 GFADMP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000891682222 663347246 /nfs/dbraw/zinc/34/72/46/663347246.db2.gz SKSLJZJONKMUKV-CZUORRHYSA-N 2 1 395.345 2.545 20 0 GFADMP Cc1[nH+]ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1Br ZINC000892986398 663392053 /nfs/dbraw/zinc/39/20/53/663392053.db2.gz UWLUIBHBXXFEPK-XYPWUTKMSA-N 2 1 379.346 2.900 20 0 GFADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000894241520 663450504 /nfs/dbraw/zinc/45/05/04/663450504.db2.gz JGAITCCUMPFIAA-UHFFFAOYSA-N 2 1 398.292 2.766 20 0 GFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(I)cnn2C)c1 ZINC000894241520 663450507 /nfs/dbraw/zinc/45/05/07/663450507.db2.gz JGAITCCUMPFIAA-UHFFFAOYSA-N 2 1 398.292 2.766 20 0 GFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3sc(N4CCOCC4)nc3Cl)C2)CC1 ZINC000894780170 663481181 /nfs/dbraw/zinc/48/11/81/663481181.db2.gz YPVXSRNXXPOCNM-OAHLLOKOSA-N 2 1 384.977 2.797 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358613 664628879 /nfs/dbraw/zinc/62/88/79/664628879.db2.gz IVYNGEDLOKTYNW-WHOFXGATSA-N 2 1 389.721 2.526 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000923358613 664628880 /nfs/dbraw/zinc/62/88/80/664628880.db2.gz IVYNGEDLOKTYNW-WHOFXGATSA-N 2 1 389.721 2.526 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431975 664794749 /nfs/dbraw/zinc/79/47/49/664794749.db2.gz RRCGJUGEPZXZEW-HYVNUMGLSA-N 2 1 394.357 2.680 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931431975 664794750 /nfs/dbraw/zinc/79/47/50/664794750.db2.gz RRCGJUGEPZXZEW-HYVNUMGLSA-N 2 1 394.357 2.680 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[NH+]1C[C@@H]2CC[N@@H+](C)C[C@@H]2C1 ZINC000931431975 664794752 /nfs/dbraw/zinc/79/47/52/664794752.db2.gz RRCGJUGEPZXZEW-HYVNUMGLSA-N 2 1 394.357 2.680 20 0 GFADMP CCC[N@H+]1CCCC[C@H]1c1ccc(N2Cc3ncnn3C3(CC[NH2+]CC3)C2)nc1 ZINC001164415935 718885680 /nfs/dbraw/zinc/88/56/80/718885680.db2.gz OTVJJMXQHFSDIY-IBGZPJMESA-N 2 1 395.555 2.709 20 0 GFADMP C[NH+]1CCN(c2cccc(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164629942 719086358 /nfs/dbraw/zinc/08/63/58/719086358.db2.gz ULTXLFMMDSFHAK-FGZHOGPDSA-N 2 1 391.563 2.934 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nccc(OCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684693 719622149 /nfs/dbraw/zinc/62/21/49/719622149.db2.gz WJMXHTQLYHMQBL-UHFFFAOYSA-N 2 1 392.507 2.727 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nccc(OCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164684693 719622151 /nfs/dbraw/zinc/62/21/51/719622151.db2.gz WJMXHTQLYHMQBL-UHFFFAOYSA-N 2 1 392.507 2.727 20 0 GFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164714051 720136390 /nfs/dbraw/zinc/13/63/90/720136390.db2.gz VRDRCLRNKBNZSW-LJQANCHMSA-N 2 1 381.524 2.875 20 0 GFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164714050 720137718 /nfs/dbraw/zinc/13/77/18/720137718.db2.gz VRDRCLRNKBNZSW-IBGZPJMESA-N 2 1 381.524 2.875 20 0 GFADMP c1cc2c[nH+]c(N3CC[C@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744920 720815313 /nfs/dbraw/zinc/81/53/13/720815313.db2.gz JSDKMACYTUNGGR-HBFSDRIKSA-N 2 1 377.496 2.534 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164751077 720832994 /nfs/dbraw/zinc/83/29/94/720832994.db2.gz YIWIQAJMVVTINC-DBXWQHBBSA-N 2 1 391.523 2.842 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc(Cl)nc3c1CC[NH2+]C3)[C@@H]2C ZINC001164861618 720993832 /nfs/dbraw/zinc/99/38/32/720993832.db2.gz QAXPNWKFGUGHOW-CQSZACIVSA-N 2 1 388.947 2.999 20 0 GFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000155772119 551507612 /nfs/dbraw/zinc/50/76/12/551507612.db2.gz KXMAWTGMCJWVPY-GUYCJALGSA-N 2 1 382.346 2.903 20 0 GFADMP C[C@@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000190462987 552497501 /nfs/dbraw/zinc/49/75/01/552497501.db2.gz CCEDFYHMKNFVQA-INIZCTEOSA-N 2 1 379.595 2.859 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccc(Br)s2)C2CC2)CC1 ZINC000190598865 552502900 /nfs/dbraw/zinc/50/29/00/552502900.db2.gz ZEHWQWCHVDBCKY-INIZCTEOSA-N 2 1 386.359 2.715 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775759 553159288 /nfs/dbraw/zinc/15/92/88/553159288.db2.gz XKYIOGPPJDUPSV-FUHWJXTLSA-N 2 1 394.357 2.838 20 0 GFADMP Cc1nn(C)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1Br ZINC000279087182 563283050 /nfs/dbraw/zinc/28/30/50/563283050.db2.gz HWESJRBRNRFCER-UHFFFAOYSA-N 2 1 381.318 2.721 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280052363 563320333 /nfs/dbraw/zinc/32/03/33/563320333.db2.gz JQMGODBXLDDXNO-SNVBAGLBSA-N 2 1 391.324 2.887 20 0 GFADMP C[C@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)c1c[nH+]ccc1N ZINC000422863811 563350167 /nfs/dbraw/zinc/35/01/67/563350167.db2.gz SGURKSFAPKVQSV-LBPRGKRZSA-N 2 1 377.286 2.727 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c1)OCC2 ZINC000423049734 563353507 /nfs/dbraw/zinc/35/35/07/563353507.db2.gz KPKKUJAZUDSJND-BRWVUGGUSA-N 2 1 381.314 2.631 20 0 GFADMP CC[N@@H+](CC(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)C1CC1 ZINC000425101191 563405050 /nfs/dbraw/zinc/40/50/50/563405050.db2.gz YPEKDJHWTJPDKZ-UHFFFAOYSA-N 2 1 397.361 2.870 20 0 GFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(OC)cc2Br)CC1 ZINC000285467729 563522323 /nfs/dbraw/zinc/52/23/23/563522323.db2.gz NNECRHDVXYNWRS-UHFFFAOYSA-N 2 1 384.362 2.965 20 0 GFADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332253716 563587830 /nfs/dbraw/zinc/58/78/30/563587830.db2.gz AJNZJDNUHGLAIL-YVEFUNNKSA-N 2 1 385.339 2.946 20 0 GFADMP C[N@@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)C[C@H](O)C[NH3+] ZINC000415070942 563758079 /nfs/dbraw/zinc/75/80/79/563758079.db2.gz RSZMIHHWCRGQIK-MRXNPFEDSA-N 2 1 379.298 2.780 20 0 GFADMP C[N@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)C[C@H](O)C[NH3+] ZINC000415070942 563758081 /nfs/dbraw/zinc/75/80/81/563758081.db2.gz RSZMIHHWCRGQIK-MRXNPFEDSA-N 2 1 379.298 2.780 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102694 563759632 /nfs/dbraw/zinc/75/96/32/563759632.db2.gz CQVXYRGAKRXPLF-GUYCJALGSA-N 2 1 378.318 2.940 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292232176 563779492 /nfs/dbraw/zinc/77/94/92/563779492.db2.gz VXRJWMBTBKMAAC-HNAYVOBHSA-N 2 1 394.357 2.824 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Br ZINC000449604689 564192288 /nfs/dbraw/zinc/19/22/88/564192288.db2.gz XYCMIYLPPJTABC-ULQDDVLXSA-N 2 1 397.357 2.825 20 0 GFADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000450780655 564247503 /nfs/dbraw/zinc/24/75/03/564247503.db2.gz YMGHBRXYRONXPM-INIZCTEOSA-N 2 1 395.345 2.615 20 0 GFADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000450780655 564247506 /nfs/dbraw/zinc/24/75/06/564247506.db2.gz YMGHBRXYRONXPM-INIZCTEOSA-N 2 1 395.345 2.615 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)c1)OCC2 ZINC000564988717 564260805 /nfs/dbraw/zinc/26/08/05/564260805.db2.gz OQAGSEPXIYSITN-BRWVUGGUSA-N 2 1 381.314 2.631 20 0 GFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000565357394 564277537 /nfs/dbraw/zinc/27/75/37/564277537.db2.gz OHYTXSGUUWEUGT-TUKIKUTGSA-N 2 1 387.343 2.775 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CC12CCOCC2 ZINC000566245536 564319431 /nfs/dbraw/zinc/31/94/31/564319431.db2.gz UCPKVBGTHYTNLJ-ZDUSSCGKSA-N 2 1 387.293 2.654 20 0 GFADMP C[C@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000567383262 564368649 /nfs/dbraw/zinc/36/86/49/564368649.db2.gz UTKBCQMZQCHHQM-ZDUSSCGKSA-N 2 1 380.330 2.670 20 0 GFADMP CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481928632 564527721 /nfs/dbraw/zinc/52/77/21/564527721.db2.gz AKNUUJHWESOAPW-OAHLLOKOSA-N 2 1 375.966 2.877 20 0 GFADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(N2CCOCC2)c1 ZINC000572038629 564578959 /nfs/dbraw/zinc/57/89/59/564578959.db2.gz MUPYZMGODVQVJO-IYBDPMFKSA-N 2 1 394.357 2.717 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000549733433 564604230 /nfs/dbraw/zinc/60/42/30/564604230.db2.gz FCQABCNKKQSUSE-QGZVFWFLSA-N 2 1 380.374 2.924 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552226030 564682643 /nfs/dbraw/zinc/68/26/43/564682643.db2.gz USVBXYNWXASQNG-IKGGRYGDSA-N 2 1 380.330 2.641 20 0 GFADMP C[NH+](C)C1CCN(CC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527669606 564754425 /nfs/dbraw/zinc/75/44/25/564754425.db2.gz IZVWKPBFQZLXBP-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cscc2Br)CC1 ZINC000556792754 564841265 /nfs/dbraw/zinc/84/12/65/564841265.db2.gz RJTHWYOZCWYKKR-UHFFFAOYSA-N 2 1 381.299 2.910 20 0 GFADMP O=C(C[NH2+]Cc1ccc(Br)c(F)c1)NCC[NH+]1CCCCCC1 ZINC000560545410 564967143 /nfs/dbraw/zinc/96/71/43/564967143.db2.gz LVTJGLRGDBGPIZ-UHFFFAOYSA-N 2 1 386.309 2.670 20 0 GFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638564897 565203513 /nfs/dbraw/zinc/20/35/13/565203513.db2.gz NQFCPKKRTHXBCV-UHFFFAOYSA-N 2 1 395.345 2.954 20 0 GFADMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000662418154 565365924 /nfs/dbraw/zinc/36/59/24/565365924.db2.gz QKRLANSGXQTQBS-LLVKDONJSA-N 2 1 386.359 2.964 20 0 GFADMP C[NH2+][C@@H](C(=O)NC1CC[NH+](CCCOC)CC1)c1cccc(Cl)c1Cl ZINC000662439004 565367488 /nfs/dbraw/zinc/36/74/88/565367488.db2.gz HMQOSDSBWFNLJL-QGZVFWFLSA-N 2 1 388.339 2.871 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662520891 565373769 /nfs/dbraw/zinc/37/37/69/565373769.db2.gz BBZCZXAEDMDOQT-WDEREUQCSA-N 2 1 384.343 2.576 20 0 GFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662692281 565381882 /nfs/dbraw/zinc/38/18/82/565381882.db2.gz CRSAWDDCUOEHNM-LLVKDONJSA-N 2 1 386.359 2.964 20 0 GFADMP C[NH2+][C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1Cl ZINC000662707516 565383283 /nfs/dbraw/zinc/38/32/83/565383283.db2.gz GGKHNVFUPPQPGY-GUYCJALGSA-N 2 1 386.323 2.623 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363326 565415037 /nfs/dbraw/zinc/41/50/37/565415037.db2.gz JEXMQVGINZKUDN-HUUCEWRRSA-N 2 1 389.323 2.576 20 0 GFADMP Ic1ccc([C@@H]2CCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884383 565496836 /nfs/dbraw/zinc/49/68/36/565496836.db2.gz FDXGOXHJSQCNDT-HOTGVXAUSA-N 2 1 398.288 2.949 20 0 GFADMP Ic1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884383 565496842 /nfs/dbraw/zinc/49/68/42/565496842.db2.gz FDXGOXHJSQCNDT-HOTGVXAUSA-N 2 1 398.288 2.949 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCCNCc2oc3ccccc3c2Br)C1 ZINC000655729621 566084773 /nfs/dbraw/zinc/08/47/73/566084773.db2.gz MFIDAOMGFPRWSZ-ZDUSSCGKSA-N 2 1 394.313 2.872 20 0 GFADMP CCC[N@@H+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccc(Cl)cc1 ZINC000655930746 566097135 /nfs/dbraw/zinc/09/71/35/566097135.db2.gz UBARLQKNQWZNEU-KBPBESRZSA-N 2 1 380.842 2.912 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cc(Cl)cc(Cl)c1 ZINC000634722657 566172952 /nfs/dbraw/zinc/17/29/52/566172952.db2.gz SFKHDTSWLAXMBF-IRXDYDNUSA-N 2 1 389.323 2.576 20 0 GFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269862 598871233 /nfs/dbraw/zinc/87/12/33/598871233.db2.gz YITZWCYYIRQVAS-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269862 598871234 /nfs/dbraw/zinc/87/12/34/598871234.db2.gz YITZWCYYIRQVAS-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269862 598871235 /nfs/dbraw/zinc/87/12/35/598871235.db2.gz YITZWCYYIRQVAS-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269862 598871236 /nfs/dbraw/zinc/87/12/36/598871236.db2.gz YITZWCYYIRQVAS-ZWKOTPCHSA-N 2 1 384.528 2.832 20 0 GFADMP FC(F)Oc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000822733171 606489539 /nfs/dbraw/zinc/48/95/39/606489539.db2.gz RGNACBFEQOZKKM-UHFFFAOYSA-N 2 1 392.454 2.776 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330794 609423866 /nfs/dbraw/zinc/42/38/66/609423866.db2.gz IOTWLBIEFCLELH-JLTOFOAXSA-N 2 1 389.463 2.745 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2nc(Br)cs2)C2CC2)CC1 ZINC000817577217 660201231 /nfs/dbraw/zinc/20/12/31/660201231.db2.gz GDYLWJZIRYTPRF-HNNXBMFYSA-N 2 1 387.391 2.974 20 0 GFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000111240965 655167025 /nfs/dbraw/zinc/16/70/25/655167025.db2.gz WPFVHZHWQFIWST-KRWDZBQOSA-N 2 1 385.346 2.995 20 0 GFADMP Cc1cc(Br)ccc1NC(=O)C[N@H+](C)CCCc1cncn1C ZINC000576954181 655455260 /nfs/dbraw/zinc/45/52/60/655455260.db2.gz JBUBRTDGTWXVTO-UHFFFAOYSA-N 2 1 379.302 2.994 20 0 GFADMP Cc1cc(Br)ccc1NC(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000576954181 655455261 /nfs/dbraw/zinc/45/52/61/655455261.db2.gz JBUBRTDGTWXVTO-UHFFFAOYSA-N 2 1 379.302 2.994 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2I)CC1 ZINC000769384602 656273376 /nfs/dbraw/zinc/27/33/76/656273376.db2.gz RQOBLDAIHWMTHK-UHFFFAOYSA-N 2 1 388.293 2.834 20 0 GFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(I)cnn2C)C1 ZINC000894181169 663447073 /nfs/dbraw/zinc/44/70/73/663447073.db2.gz WQZNYRAJPIVWSI-CYBMUJFWSA-N 2 1 390.313 2.626 20 0 GFADMP C[C@H]1C[C@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000894360376 663457541 /nfs/dbraw/zinc/45/75/41/663457541.db2.gz ZXCBCZAMMYSEGZ-HOCLYGCPSA-N 2 1 392.345 2.968 20 0 GFADMP CC(=O)Nc1cc(Br)ccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000894524064 663467015 /nfs/dbraw/zinc/46/70/15/663467015.db2.gz TXYFCNIUZHVAMT-UHFFFAOYSA-N 2 1 399.377 2.723 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)C[C@H]1CC[NH3+] ZINC000903496827 663785777 /nfs/dbraw/zinc/78/57/77/663785777.db2.gz GHZLRPQEFNIARY-TZMCWYRMSA-N 2 1 379.302 2.840 20 0 GFADMP CC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000903884221 663810028 /nfs/dbraw/zinc/81/00/28/663810028.db2.gz VBCQKIBUIXCCOP-MRXNPFEDSA-N 2 1 378.318 2.987 20 0 GFADMP CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cccc(Br)c1 ZINC000903884221 663810033 /nfs/dbraw/zinc/81/00/33/663810033.db2.gz VBCQKIBUIXCCOP-MRXNPFEDSA-N 2 1 378.318 2.987 20 0 GFADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cnn1C ZINC000903898216 663810675 /nfs/dbraw/zinc/81/06/75/663810675.db2.gz MLWWIGFGPDKKIY-HNNXBMFYSA-N 2 1 385.339 2.647 20 0 GFADMP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2cc(Br)ccc2F)cnn1C ZINC000903904776 663810705 /nfs/dbraw/zinc/81/07/05/663810705.db2.gz ZZSQOPGKTNPWLV-ZDUSSCGKSA-N 2 1 383.309 2.880 20 0 GFADMP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2cc(Br)ccc2F)cnn1C ZINC000903904776 663810709 /nfs/dbraw/zinc/81/07/09/663810709.db2.gz ZZSQOPGKTNPWLV-ZDUSSCGKSA-N 2 1 383.309 2.880 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391231 664598553 /nfs/dbraw/zinc/59/85/53/664598553.db2.gz VBZKQTBJGJGNDL-HLSYRSCKSA-N 2 1 388.375 2.783 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391231 664598555 /nfs/dbraw/zinc/59/85/55/664598555.db2.gz VBZKQTBJGJGNDL-HLSYRSCKSA-N 2 1 388.375 2.783 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccnc3Br)C2)[C@@H]1C(C)C ZINC000922392082 664598761 /nfs/dbraw/zinc/59/87/61/664598761.db2.gz CSJZGSXGUKWEAA-CBZIJGRNSA-N 2 1 382.346 2.804 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330702 664628443 /nfs/dbraw/zinc/62/84/43/664628443.db2.gz CKBWTASHIXQQHX-XJKSGUPXSA-N 2 1 389.721 2.528 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330702 664628444 /nfs/dbraw/zinc/62/84/44/664628444.db2.gz CKBWTASHIXQQHX-XJKSGUPXSA-N 2 1 389.721 2.528 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[NH2+]C23CCCC3)s1 ZINC000925490444 664672644 /nfs/dbraw/zinc/67/26/44/664672644.db2.gz NSXDVRDSYIESOC-INIZCTEOSA-N 2 1 385.599 2.585 20 0 GFADMP C[C@@H]1CCc2c(sc3nc(C[NH+]4CCCC4)nc(N4C[C@H]5C[C@@]5([NH3+])C4)c23)C1 ZINC001164422045 718888400 /nfs/dbraw/zinc/88/84/00/718888400.db2.gz ZKXDDPDUNJRRCJ-ZMOMAAQPSA-N 2 1 383.565 2.949 20 0 GFADMP c1ccc(C[N@@H+]2C[C@H]3[C@H](C2)CCCN3c2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC001164631483 719091032 /nfs/dbraw/zinc/09/10/32/719091032.db2.gz YHXGRDLRMSEOGD-UNMCSNQZSA-N 2 1 377.536 2.592 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ncnc3[nH]c4ccccc4c32)c2c1CC[NH2+]C2 ZINC001164683376 719624986 /nfs/dbraw/zinc/62/49/86/719624986.db2.gz SEJRRLPSCQCTHR-UHFFFAOYSA-N 2 1 375.480 2.783 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncnc3[nH]c4ccccc4c32)c2c1CC[NH2+]C2 ZINC001164683376 719624995 /nfs/dbraw/zinc/62/49/95/719624995.db2.gz SEJRRLPSCQCTHR-UHFFFAOYSA-N 2 1 375.480 2.783 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(C3CCC3)nc3[nH]ccc32)c2c1CC[NH2+]C2 ZINC001164680217 719653926 /nfs/dbraw/zinc/65/39/26/719653926.db2.gz DIBQSOXGBDMTRE-UHFFFAOYSA-N 2 1 379.512 2.897 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(C3CCC3)nc3[nH]ccc32)c2c1CC[NH2+]C2 ZINC001164680217 719653935 /nfs/dbraw/zinc/65/39/35/719653935.db2.gz DIBQSOXGBDMTRE-UHFFFAOYSA-N 2 1 379.512 2.897 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809155 720066003 /nfs/dbraw/zinc/06/60/03/720066003.db2.gz ISCLOWJQCZUVSF-SIKLNZKXSA-N 2 1 385.556 2.570 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@H]2OCCC[C@@H]21 ZINC001164804367 721540800 /nfs/dbraw/zinc/54/08/00/721540800.db2.gz JPDUGBLUHGEAMZ-HBMCJLEFSA-N 2 1 377.492 2.837 20 0 GFADMP [NH3+][C@@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000237937934 553084026 /nfs/dbraw/zinc/08/40/26/553084026.db2.gz JPNYNXHIRSKNPS-GDBMZVCRSA-N 2 1 380.330 2.657 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246956941 553116406 /nfs/dbraw/zinc/11/64/06/553116406.db2.gz AXLMYTBBNAJMHW-WMZOPIPTSA-N 2 1 397.357 2.997 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000246956941 553116408 /nfs/dbraw/zinc/11/64/08/553116408.db2.gz AXLMYTBBNAJMHW-WMZOPIPTSA-N 2 1 397.357 2.997 20 0 GFADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000261931393 553163082 /nfs/dbraw/zinc/16/30/82/553163082.db2.gz CUOCVCWHGKSOSK-ZDUSSCGKSA-N 2 1 375.847 2.761 20 0 GFADMP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000261931393 553163084 /nfs/dbraw/zinc/16/30/84/553163084.db2.gz CUOCVCWHGKSOSK-ZDUSSCGKSA-N 2 1 375.847 2.761 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262085619 553165766 /nfs/dbraw/zinc/16/57/66/553165766.db2.gz HNXCSYZXVZLEIG-OCCSQVGLSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262085619 553165770 /nfs/dbraw/zinc/16/57/70/553165770.db2.gz HNXCSYZXVZLEIG-OCCSQVGLSA-N 2 1 386.359 2.591 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)[C@]3(C)CC3(Cl)Cl)CC2)CC1 ZINC000371089937 563265509 /nfs/dbraw/zinc/26/55/09/563265509.db2.gz RFEMPUKPSZMHTC-KRWDZBQOSA-N 2 1 376.372 2.883 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490066 563279038 /nfs/dbraw/zinc/27/90/38/563279038.db2.gz CKCRYWWOVNIXEW-SWLSCSKDSA-N 2 1 377.286 2.886 20 0 GFADMP CC(C)[C@@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCCC1 ZINC000371986073 563293542 /nfs/dbraw/zinc/29/35/42/563293542.db2.gz XKXPHAWRRGIGFD-QGZVFWFLSA-N 2 1 385.599 2.611 20 0 GFADMP Cc1[nH+]ccn1CC(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000297593517 563330289 /nfs/dbraw/zinc/33/02/89/563330289.db2.gz PWBYABAKERBJAF-UHFFFAOYSA-N 2 1 391.313 2.735 20 0 GFADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423091748 563354548 /nfs/dbraw/zinc/35/45/48/563354548.db2.gz YPRBQYOXIDGXIN-DUFXMDAXSA-N 2 1 394.684 2.787 20 0 GFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423097959 563355707 /nfs/dbraw/zinc/35/57/07/563355707.db2.gz BTDDRUCGHMPYKV-QWHCGFSZSA-N 2 1 380.341 2.521 20 0 GFADMP CC[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1OC)[C@@H]1CCC[NH2+]1 ZINC000423155457 563357222 /nfs/dbraw/zinc/35/72/22/563357222.db2.gz LCXRANFPOAQRIO-COXVUDFISA-N 2 1 385.346 2.729 20 0 GFADMP C[C@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccccc1Br ZINC000375519565 563407912 /nfs/dbraw/zinc/40/79/12/563407912.db2.gz PEUCDTJIAVPGOW-FABXCBLPSA-N 2 1 377.286 2.853 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898354 563490132 /nfs/dbraw/zinc/49/01/32/563490132.db2.gz BQWFSBOHTWCFFG-OALUTQOASA-N 2 1 396.373 2.583 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898354 563490135 /nfs/dbraw/zinc/49/01/35/563490135.db2.gz BQWFSBOHTWCFFG-OALUTQOASA-N 2 1 396.373 2.583 20 0 GFADMP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000429682009 563521176 /nfs/dbraw/zinc/52/11/76/563521176.db2.gz XOCFILHCFADCGA-UHFFFAOYSA-N 2 1 394.357 2.577 20 0 GFADMP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC1(c2ccc(Br)cc2)CC1 ZINC000429682009 563521179 /nfs/dbraw/zinc/52/11/79/563521179.db2.gz XOCFILHCFADCGA-UHFFFAOYSA-N 2 1 394.357 2.577 20 0 GFADMP Brc1c[nH+]ccc1NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390872313 563523368 /nfs/dbraw/zinc/52/33/68/563523368.db2.gz QMECJBRPERZVMF-MRXNPFEDSA-N 2 1 376.298 2.969 20 0 GFADMP Brc1c[nH+]ccc1NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000390872313 563523371 /nfs/dbraw/zinc/52/33/71/563523371.db2.gz QMECJBRPERZVMF-MRXNPFEDSA-N 2 1 376.298 2.969 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201649 563624253 /nfs/dbraw/zinc/62/42/53/563624253.db2.gz XYOHGCIPWPDACA-NVXWUHKLSA-N 2 1 393.329 2.815 20 0 GFADMP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412974023 563678256 /nfs/dbraw/zinc/67/82/56/563678256.db2.gz RQAIMGYIHNOZEE-KRWDZBQOSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412974023 563678260 /nfs/dbraw/zinc/67/82/60/563678260.db2.gz RQAIMGYIHNOZEE-KRWDZBQOSA-N 2 1 380.330 2.624 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C[C@@H]3CSCCS3)CC2)CC1 ZINC000361901872 563702158 /nfs/dbraw/zinc/70/21/58/563702158.db2.gz WPBZDLUMHJZSRL-GOSISDBHSA-N 2 1 385.643 2.538 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753346 563751882 /nfs/dbraw/zinc/75/18/82/563751882.db2.gz MAIIGZZKJMSBHZ-SUMWQHHRSA-N 2 1 398.320 2.922 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366220271 563801899 /nfs/dbraw/zinc/80/18/99/563801899.db2.gz UJTCHIRNSGUNLK-COXVUDFISA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366220271 563801904 /nfs/dbraw/zinc/80/19/04/563801904.db2.gz UJTCHIRNSGUNLK-COXVUDFISA-N 2 1 396.329 2.619 20 0 GFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457071 563809119 /nfs/dbraw/zinc/80/91/19/563809119.db2.gz GTXSSEHRAIJBRC-VYDXJSESSA-N 2 1 385.961 2.916 20 0 GFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457071 563809122 /nfs/dbraw/zinc/80/91/22/563809122.db2.gz GTXSSEHRAIJBRC-VYDXJSESSA-N 2 1 385.961 2.916 20 0 GFADMP Cc1cc(Br)ccc1C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444707351 563835353 /nfs/dbraw/zinc/83/53/53/563835353.db2.gz PWCBDIXNVDRROV-UHFFFAOYSA-N 2 1 394.357 2.932 20 0 GFADMP Cc1cc(Br)ccc1C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444707351 563835357 /nfs/dbraw/zinc/83/53/57/563835357.db2.gz PWCBDIXNVDRROV-UHFFFAOYSA-N 2 1 394.357 2.932 20 0 GFADMP Brc1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc2c1OCCCO2 ZINC000368082095 563863100 /nfs/dbraw/zinc/86/31/00/563863100.db2.gz RPWABNHVQDUMPC-GFCCVEGCSA-N 2 1 378.270 2.981 20 0 GFADMP C[NH2+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999113 563894360 /nfs/dbraw/zinc/89/43/60/563894360.db2.gz UMJFPHLAHDGTQZ-QGZVFWFLSA-N 2 1 385.339 2.961 20 0 GFADMP C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418168894 563900454 /nfs/dbraw/zinc/90/04/54/563900454.db2.gz MMFYRZVJYKYMKQ-FZMZJTMJSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418168894 563900456 /nfs/dbraw/zinc/90/04/56/563900456.db2.gz MMFYRZVJYKYMKQ-FZMZJTMJSA-N 2 1 380.842 2.912 20 0 GFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(Br)ccc1F ZINC000449600971 564192327 /nfs/dbraw/zinc/19/23/27/564192327.db2.gz QAUGCQZSGCBGEL-RRQGHBQHSA-N 2 1 385.321 2.956 20 0 GFADMP C[C@H](C[C@H](C)[NH3+])NC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000566192879 564315726 /nfs/dbraw/zinc/31/57/26/564315726.db2.gz RWZVKLVJVKSUPC-UONOGXRCSA-N 2 1 397.361 2.839 20 0 GFADMP Cc1nc(CN2C[C@@H](F)C[C@H]2C[NH2+]Cc2ncc(C[NH+](C)C)s2)cs1 ZINC000511927555 564386272 /nfs/dbraw/zinc/38/62/72/564386272.db2.gz RHIBESMFPWQBHN-ZFWWWQNUSA-N 2 1 383.562 2.672 20 0 GFADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000567731424 564386561 /nfs/dbraw/zinc/38/65/61/564386561.db2.gz VTESVORMQLLFCC-QGZVFWFLSA-N 2 1 379.302 2.677 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567891292 564394964 /nfs/dbraw/zinc/39/49/64/564394964.db2.gz XKJYFSFSDPLSAE-TUKIKUTGSA-N 2 1 386.359 2.528 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000567891292 564394968 /nfs/dbraw/zinc/39/49/68/564394968.db2.gz XKJYFSFSDPLSAE-TUKIKUTGSA-N 2 1 386.359 2.528 20 0 GFADMP CC[C@@H](Cc1ccccc1Br)[N@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000514225345 564447864 /nfs/dbraw/zinc/44/78/64/564447864.db2.gz NEJYBXQYHVSPOU-KRWDZBQOSA-N 2 1 396.373 2.866 20 0 GFADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)CCC(=O)N1CC[NH+](C)CC1 ZINC000514225345 564447869 /nfs/dbraw/zinc/44/78/69/564447869.db2.gz NEJYBXQYHVSPOU-KRWDZBQOSA-N 2 1 396.373 2.866 20 0 GFADMP CCC[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000518371539 564551366 /nfs/dbraw/zinc/55/13/66/564551366.db2.gz YQFTYHQJFVQOMY-CQSZACIVSA-N 2 1 382.346 2.918 20 0 GFADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1OC ZINC000571443474 564552006 /nfs/dbraw/zinc/55/20/06/564552006.db2.gz PYCSLOFXVDLRJR-CQSZACIVSA-N 2 1 399.329 2.654 20 0 GFADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1OC ZINC000571443474 564552007 /nfs/dbraw/zinc/55/20/07/564552007.db2.gz PYCSLOFXVDLRJR-CQSZACIVSA-N 2 1 399.329 2.654 20 0 GFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393428 564593566 /nfs/dbraw/zinc/59/35/66/564593566.db2.gz JTDCDEVTUIWHSX-BBRMVZONSA-N 2 1 389.309 2.649 20 0 GFADMP CCC[N@@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@H]1C ZINC000456362643 564602666 /nfs/dbraw/zinc/60/26/66/564602666.db2.gz DPNSYLMGBLXEAF-CQSZACIVSA-N 2 1 397.361 2.870 20 0 GFADMP CCC[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@H]1C ZINC000456362643 564602670 /nfs/dbraw/zinc/60/26/70/564602670.db2.gz DPNSYLMGBLXEAF-CQSZACIVSA-N 2 1 397.361 2.870 20 0 GFADMP CCC[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC000456362643 564602672 /nfs/dbraw/zinc/60/26/72/564602672.db2.gz DPNSYLMGBLXEAF-CQSZACIVSA-N 2 1 397.361 2.870 20 0 GFADMP Cc1ccc(NCCC[NH2+]C[C@H](O)COc2c(Cl)cccc2Cl)[nH+]c1 ZINC000572992370 564618252 /nfs/dbraw/zinc/61/82/52/564618252.db2.gz HXJFJWGNFOGFCB-AWEZNQCLSA-N 2 1 384.307 3.528 20 0 GFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(Br)cc1OCCCO ZINC000459510231 564748200 /nfs/dbraw/zinc/74/82/00/564748200.db2.gz YWBJUHFPXXHDBT-CYBMUJFWSA-N 2 1 382.302 2.837 20 0 GFADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000579639309 564750046 /nfs/dbraw/zinc/75/00/46/564750046.db2.gz IRNSUORJLZBWBM-GFCCVEGCSA-N 2 1 398.320 2.982 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1Br ZINC000563096333 565055163 /nfs/dbraw/zinc/05/51/63/565055163.db2.gz BCGYTPSKBWSIIG-LLVKDONJSA-N 2 1 392.301 2.563 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000537631747 565060409 /nfs/dbraw/zinc/06/04/09/565060409.db2.gz VDDCGPGPVATBER-UHFFFAOYSA-N 2 1 399.329 2.763 20 0 GFADMP CO[C@]1(C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCOC1 ZINC000639174451 565230479 /nfs/dbraw/zinc/23/04/79/565230479.db2.gz BUZVIFGSCDNKFH-INIZCTEOSA-N 2 1 384.274 2.546 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000617507897 565244570 /nfs/dbraw/zinc/24/45/70/565244570.db2.gz NYDKVQQMUVJUSJ-GJZGRUSLSA-N 2 1 384.362 2.941 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)c1cccc(Br)c1 ZINC000617507897 565244575 /nfs/dbraw/zinc/24/45/75/565244575.db2.gz NYDKVQQMUVJUSJ-GJZGRUSLSA-N 2 1 384.362 2.941 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)cc1Br ZINC000617507056 565244632 /nfs/dbraw/zinc/24/46/32/565244632.db2.gz GOTBBFIJYCAFDB-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1ccc(F)cc1Br ZINC000617507056 565244638 /nfs/dbraw/zinc/24/46/38/565244638.db2.gz GOTBBFIJYCAFDB-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251913 565358355 /nfs/dbraw/zinc/35/83/55/565358355.db2.gz INPAFRGQOXCYIP-HZPDHXFCSA-N 2 1 384.307 2.917 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251913 565358357 /nfs/dbraw/zinc/35/83/57/565358357.db2.gz INPAFRGQOXCYIP-HZPDHXFCSA-N 2 1 384.307 2.917 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662518533 565374052 /nfs/dbraw/zinc/37/40/52/565374052.db2.gz STKYKKYFMWZKHT-NSHDSACASA-N 2 1 384.343 2.576 20 0 GFADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662578047 565378454 /nfs/dbraw/zinc/37/84/54/565378454.db2.gz PMNLZONKJOPKEW-OAHLLOKOSA-N 2 1 398.370 2.964 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662743931 565383375 /nfs/dbraw/zinc/38/33/75/565383375.db2.gz ABHOXHHFZXZZNT-IVMMDQJWSA-N 2 1 375.460 2.789 20 0 GFADMP Ic1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595885279 565496454 /nfs/dbraw/zinc/49/64/54/565496454.db2.gz LRTHWBGIYBYKDA-CJNGLKHVSA-N 2 1 398.288 2.949 20 0 GFADMP CC[C@@H]1C[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647938478 565684825 /nfs/dbraw/zinc/68/48/25/565684825.db2.gz OGGHCUMKDAMDCS-LXZKKBNFSA-N 2 1 382.346 2.855 20 0 GFADMP CC[C@@H]1C[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000647938478 565684833 /nfs/dbraw/zinc/68/48/33/565684833.db2.gz OGGHCUMKDAMDCS-LXZKKBNFSA-N 2 1 382.346 2.855 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649411765 565760255 /nfs/dbraw/zinc/76/02/55/565760255.db2.gz AAQXQAZMBCYHAM-CABCVRRESA-N 2 1 395.345 2.884 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706359 565832621 /nfs/dbraw/zinc/83/26/21/565832621.db2.gz JCFWHUYTAUWTAI-YSVLISHTSA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706359 565832626 /nfs/dbraw/zinc/83/26/26/565832626.db2.gz JCFWHUYTAUWTAI-YSVLISHTSA-N 2 1 393.329 2.815 20 0 GFADMP CCO[C@@H]1C[N@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C[C@H]1C[NH3+] ZINC000650714526 565832691 /nfs/dbraw/zinc/83/26/91/565832691.db2.gz LDDPAKGLCSYXLD-RDTXWAMCSA-N 2 1 393.329 2.739 20 0 GFADMP CCO[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Br)cc3)nc2C)C[C@H]1C[NH3+] ZINC000650714526 565832694 /nfs/dbraw/zinc/83/26/94/565832694.db2.gz LDDPAKGLCSYXLD-RDTXWAMCSA-N 2 1 393.329 2.739 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(I)s1 ZINC000602549532 565854172 /nfs/dbraw/zinc/85/41/72/565854172.db2.gz DJATWFCZUUKXMB-GFCCVEGCSA-N 2 1 394.322 2.679 20 0 GFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809557 599420734 /nfs/dbraw/zinc/42/07/34/599420734.db2.gz OZQKJKBWBKCFNA-LJQANCHMSA-N 2 1 392.507 2.877 20 0 GFADMP C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610787 599592802 /nfs/dbraw/zinc/59/28/02/599592802.db2.gz FHHCHOYZXJPVBH-KRWDZBQOSA-N 2 1 380.471 2.960 20 0 GFADMP C[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821610787 599592804 /nfs/dbraw/zinc/59/28/04/599592804.db2.gz FHHCHOYZXJPVBH-KRWDZBQOSA-N 2 1 380.471 2.960 20 0 GFADMP C[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821610787 599592805 /nfs/dbraw/zinc/59/28/05/599592805.db2.gz FHHCHOYZXJPVBH-KRWDZBQOSA-N 2 1 380.471 2.960 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000826157601 608378161 /nfs/dbraw/zinc/37/81/61/608378161.db2.gz CLGBHNIWUGNYMC-UHFFFAOYSA-N 2 1 390.507 2.576 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@H](C)C1 ZINC000825593762 608512498 /nfs/dbraw/zinc/51/24/98/608512498.db2.gz DBOTUYDMMXFZRL-CZAAIQMYSA-N 2 1 398.555 2.971 20 0 GFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000124962742 654784821 /nfs/dbraw/zinc/78/48/21/654784821.db2.gz NMAUCCIFMBTFIZ-INIZCTEOSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329171 655313269 /nfs/dbraw/zinc/31/32/69/655313269.db2.gz CNWAYGMPZXTLHR-QZTJIDSGSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329171 655313272 /nfs/dbraw/zinc/31/32/72/655313272.db2.gz CNWAYGMPZXTLHR-QZTJIDSGSA-N 2 1 383.330 2.891 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000277329171 655313273 /nfs/dbraw/zinc/31/32/73/655313273.db2.gz CNWAYGMPZXTLHR-QZTJIDSGSA-N 2 1 383.330 2.891 20 0 GFADMP Cc1ccc(C[N@H+](CCN2CC[NH2+]CC2)C[C@H]2CCCO2)c(Br)c1 ZINC000578893021 655488789 /nfs/dbraw/zinc/48/87/89/655488789.db2.gz OVYKJRCSFUXWIJ-GOSISDBHSA-N 2 1 396.373 2.644 20 0 GFADMP Cc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C[C@H]2CCCO2)c(Br)c1 ZINC000578893021 655488791 /nfs/dbraw/zinc/48/87/91/655488791.db2.gz OVYKJRCSFUXWIJ-GOSISDBHSA-N 2 1 396.373 2.644 20 0 GFADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(Br)n1 ZINC000755630536 655886483 /nfs/dbraw/zinc/88/64/83/655886483.db2.gz FGRAZGJYNZGULU-UHFFFAOYSA-N 2 1 390.285 2.552 20 0 GFADMP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1SC(F)(F)F ZINC000842475339 661341206 /nfs/dbraw/zinc/34/12/06/661341206.db2.gz PGLWZNOVWYUFDS-AWEZNQCLSA-N 2 1 375.460 2.787 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCC=C(Br)C3)CC2)CC1 ZINC000848037370 661622236 /nfs/dbraw/zinc/62/22/36/661622236.db2.gz XGUHGOQINCOPIY-UHFFFAOYSA-N 2 1 384.362 2.694 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000849088016 661691613 /nfs/dbraw/zinc/69/16/13/661691613.db2.gz NGGFZPOZNVOQDB-ZFWWWQNUSA-N 2 1 383.334 2.815 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CSc1nc2ccccc2s1 ZINC000855345501 661987177 /nfs/dbraw/zinc/98/71/77/661987177.db2.gz CDHROJDMEOGQDR-AWEZNQCLSA-N 2 1 380.583 2.777 20 0 GFADMP C[Si](C)(CC[NH+]1CCO[C@H](CCF)C1)CC[N@H+]1CCO[C@@H](CCF)C1 ZINC000859908267 662178663 /nfs/dbraw/zinc/17/86/63/662178663.db2.gz DXDPUAQKSPMAHE-HDICACEKSA-N 2 1 378.580 2.816 20 0 GFADMP C[Si](C)(CC[NH+]1CCO[C@@H](CCF)C1)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859908267 662178666 /nfs/dbraw/zinc/17/86/66/662178666.db2.gz DXDPUAQKSPMAHE-HDICACEKSA-N 2 1 378.580 2.816 20 0 GFADMP C[Si](C)(CC[NH+]1CCO[C@@H](CCF)C1)CC[N@H+]1CCO[C@H](CCF)C1 ZINC000859908267 662178670 /nfs/dbraw/zinc/17/86/70/662178670.db2.gz DXDPUAQKSPMAHE-HDICACEKSA-N 2 1 378.580 2.816 20 0 GFADMP Cc1ccc([C@@H]([NH2+]Cc2cc3c(s2)CC[NH2+]C3)[C@@H](C)S(C)(=O)=O)cc1 ZINC000873210862 662803917 /nfs/dbraw/zinc/80/39/17/662803917.db2.gz QUDMQFUMTIEWKU-KUHUBIRLSA-N 2 1 378.563 2.966 20 0 GFADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ncc(Br)cc1O ZINC000894522598 663466973 /nfs/dbraw/zinc/46/69/73/663466973.db2.gz LQWPUAMRNFAXBJ-UHFFFAOYSA-N 2 1 395.301 2.565 20 0 GFADMP [NH3+][C@@H]1CC[C@H](C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)C1 ZINC000903442402 663784864 /nfs/dbraw/zinc/78/48/64/663784864.db2.gz OOOVRFPDTHXKLR-GZBFAFLISA-N 2 1 381.318 2.622 20 0 GFADMP CSC[C@@H]1CCC[NH+](CC(=O)NC[C@H](C)[N@H+]2CCC[C@H](CSC)C2)C1 ZINC000930561067 664773294 /nfs/dbraw/zinc/77/32/94/664773294.db2.gz TZPUVWDAPUUSJY-KSZLIROESA-N 2 1 387.659 2.641 20 0 GFADMP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)cc1Cl ZINC000931484511 664796349 /nfs/dbraw/zinc/79/63/49/664796349.db2.gz VCDVGCRZAVYDCD-ZDUSSCGKSA-N 2 1 388.339 2.559 20 0 GFADMP C[NH+]1CCN(c2cccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164629941 719086589 /nfs/dbraw/zinc/08/65/89/719086589.db2.gz ULTXLFMMDSFHAK-FCHUYYIVSA-N 2 1 391.563 2.934 20 0 GFADMP [NH3+]C1([C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164628784 719118199 /nfs/dbraw/zinc/11/81/99/719118199.db2.gz OCDDALBOTKZSQN-PKOBYXMFSA-N 2 1 381.499 2.548 20 0 GFADMP [NH3+]C1([C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@@H]2CF)CC1 ZINC001164628784 719118207 /nfs/dbraw/zinc/11/82/07/719118207.db2.gz OCDDALBOTKZSQN-PKOBYXMFSA-N 2 1 381.499 2.548 20 0 GFADMP CCOC(=O)c1c[nH]c2cc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)[nH+]cc21 ZINC001164781275 721423658 /nfs/dbraw/zinc/42/36/58/721423658.db2.gz DAKGAKGMAOVWON-ZIAGYGMSSA-N 2 1 397.504 2.764 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164982050 722124340 /nfs/dbraw/zinc/12/43/40/722124340.db2.gz VUMFNNHCPNPIFD-CTNGQTDRSA-N 2 1 382.508 2.991 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151355412 551411917 /nfs/dbraw/zinc/41/19/17/551411917.db2.gz KUTQALFUKYUQKE-CQSZACIVSA-N 2 1 398.345 2.603 20 0 GFADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533416 552259894 /nfs/dbraw/zinc/25/98/94/552259894.db2.gz LSRJVPZLAVIAAK-RDJZCZTQSA-N 2 1 385.599 2.659 20 0 GFADMP O[C@@H](C[N@H+]1CCC[C@@H](CN2CCOCC2)C1)c1ccccc1Br ZINC000246602438 553110883 /nfs/dbraw/zinc/11/08/83/553110883.db2.gz HIUOUZRKKOKTJH-YJBOKZPZSA-N 2 1 383.330 2.527 20 0 GFADMP O[C@@H](CN1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000246602438 553110884 /nfs/dbraw/zinc/11/08/84/553110884.db2.gz HIUOUZRKKOKTJH-YJBOKZPZSA-N 2 1 383.330 2.527 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000422639399 563345353 /nfs/dbraw/zinc/34/53/53/563345353.db2.gz SRCBWCHNRAZGPF-UPJWGTAASA-N 2 1 388.375 2.774 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)C[C@@H]1C[NH3+] ZINC000422639399 563345356 /nfs/dbraw/zinc/34/53/56/563345356.db2.gz SRCBWCHNRAZGPF-UPJWGTAASA-N 2 1 388.375 2.774 20 0 GFADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Br)cc1F)CC[NH2+]CC2 ZINC000424297552 563376035 /nfs/dbraw/zinc/37/60/35/563376035.db2.gz SXCTWORADKZRNC-GFCCVEGCSA-N 2 1 384.293 2.991 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427099637 563460077 /nfs/dbraw/zinc/46/00/77/563460077.db2.gz IJNOOZGUVCDMHW-CJNGLKHVSA-N 2 1 386.277 2.744 20 0 GFADMP O=C([C@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430604801 563546781 /nfs/dbraw/zinc/54/67/81/563546781.db2.gz RIUYEPFNFVXTSF-AWEZNQCLSA-N 2 1 386.323 2.516 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncncc1Br ZINC000361245621 563697802 /nfs/dbraw/zinc/69/78/02/563697802.db2.gz HRJZSJVYXUSOAM-UHFFFAOYSA-N 2 1 396.377 2.872 20 0 GFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457070 563808830 /nfs/dbraw/zinc/80/88/30/563808830.db2.gz GTXSSEHRAIJBRC-UXLLHSPISA-N 2 1 385.961 2.916 20 0 GFADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000366457070 563808832 /nfs/dbraw/zinc/80/88/32/563808832.db2.gz GTXSSEHRAIJBRC-UXLLHSPISA-N 2 1 385.961 2.916 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244958 563837821 /nfs/dbraw/zinc/83/78/21/563837821.db2.gz URGDHXJIPHCFJR-FCLVOEFKSA-N 2 1 397.357 2.962 20 0 GFADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)c1cccc(F)c1Br ZINC000294590841 563848003 /nfs/dbraw/zinc/84/80/03/563848003.db2.gz CUWCYQZKFDJRIC-UHFFFAOYSA-N 2 1 386.309 2.686 20 0 GFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)c1cccc(F)c1Br ZINC000294590841 563848005 /nfs/dbraw/zinc/84/80/05/563848005.db2.gz CUWCYQZKFDJRIC-UHFFFAOYSA-N 2 1 386.309 2.686 20 0 GFADMP [NH3+]C[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417879868 563890249 /nfs/dbraw/zinc/89/02/49/563890249.db2.gz BZNUDKGUJFEAKG-QGZVFWFLSA-N 2 1 395.345 2.546 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000563551023 564197428 /nfs/dbraw/zinc/19/74/28/564197428.db2.gz WNNPZEYTFPIOON-CYBMUJFWSA-N 2 1 394.313 2.872 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc3cc(Br)ccc3o2)C1 ZINC000563551023 564197432 /nfs/dbraw/zinc/19/74/32/564197432.db2.gz WNNPZEYTFPIOON-CYBMUJFWSA-N 2 1 394.313 2.872 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000564973708 564260669 /nfs/dbraw/zinc/26/06/69/564260669.db2.gz YBIKUDBOCAOTTK-INIZCTEOSA-N 2 1 386.277 2.746 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]Cc2csc3c2cccc3Br)CC1 ZINC000565238398 564272730 /nfs/dbraw/zinc/27/27/30/564272730.db2.gz PAFWVIQIEGXSSM-UHFFFAOYSA-N 2 1 396.354 2.918 20 0 GFADMP C[N@H+](CCOc1ccc(Br)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565775769 564296006 /nfs/dbraw/zinc/29/60/06/564296006.db2.gz ZBEBLRQRQNSSNN-OALUTQOASA-N 2 1 393.325 2.691 20 0 GFADMP C[N@@H+](CCOc1ccc(Br)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000565775769 564296011 /nfs/dbraw/zinc/29/60/11/564296011.db2.gz ZBEBLRQRQNSSNN-OALUTQOASA-N 2 1 393.325 2.691 20 0 GFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000542842720 564328879 /nfs/dbraw/zinc/32/88/79/564328879.db2.gz XITGXUGLXUSIHM-NVXWUHKLSA-N 2 1 385.599 2.659 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479068868 564424312 /nfs/dbraw/zinc/42/43/12/564424312.db2.gz XOLZTVSVXMRVRG-KRWDZBQOSA-N 2 1 380.330 2.580 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000513884422 564441996 /nfs/dbraw/zinc/44/19/96/564441996.db2.gz WWRNSPYAVOWHPT-QGZVFWFLSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2c2ccc(Br)cc2)CC1 ZINC000513884422 564441999 /nfs/dbraw/zinc/44/19/99/564441999.db2.gz WWRNSPYAVOWHPT-QGZVFWFLSA-N 2 1 380.330 2.750 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232110 564454388 /nfs/dbraw/zinc/45/43/88/564454388.db2.gz JYELKKIIMJZPIL-ZBFHGGJFSA-N 2 1 391.339 2.824 20 0 GFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850028 564480879 /nfs/dbraw/zinc/48/08/79/564480879.db2.gz BVZCMTWVDSZPSZ-YJBOKZPZSA-N 2 1 387.977 2.978 20 0 GFADMP C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215919 564496455 /nfs/dbraw/zinc/49/64/55/564496455.db2.gz MDOFNSARJKPNKM-UKRRQHHQSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000570215919 564496459 /nfs/dbraw/zinc/49/64/59/564496459.db2.gz MDOFNSARJKPNKM-UKRRQHHQSA-N 2 1 385.961 2.730 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH+]2CCC(c3ccccc3Br)CC2)CC1 ZINC000548930457 564581407 /nfs/dbraw/zinc/58/14/07/564581407.db2.gz BUYSBWDLSRJRDG-UHFFFAOYSA-N 2 1 394.357 2.793 20 0 GFADMP C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000519597214 564583432 /nfs/dbraw/zinc/58/34/32/564583432.db2.gz QISSHUQGDJDLTB-WBMJQRKESA-N 2 1 387.293 2.568 20 0 GFADMP COCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000551424034 564649579 /nfs/dbraw/zinc/64/95/79/564649579.db2.gz UJCXVWMQOKEQCX-QGZVFWFLSA-N 2 1 388.339 2.825 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000552089558 564676087 /nfs/dbraw/zinc/67/60/87/564676087.db2.gz NMUSBVCVLYBRCN-GXTWGEPZSA-N 2 1 394.368 2.592 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000552227512 564682901 /nfs/dbraw/zinc/68/29/01/564682901.db2.gz AVIKOPBNZJQLKL-GVDBMIGSSA-N 2 1 385.599 2.741 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000552227512 564682902 /nfs/dbraw/zinc/68/29/02/564682902.db2.gz AVIKOPBNZJQLKL-GVDBMIGSSA-N 2 1 385.599 2.741 20 0 GFADMP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000574651626 564683628 /nfs/dbraw/zinc/68/36/28/564683628.db2.gz SEZDVVWERBXTHZ-HNNXBMFYSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@H]1CC[N@@H+](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000574651626 564683631 /nfs/dbraw/zinc/68/36/31/564683631.db2.gz SEZDVVWERBXTHZ-HNNXBMFYSA-N 2 1 394.357 2.872 20 0 GFADMP Oc1cccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1Br ZINC000459422073 564744172 /nfs/dbraw/zinc/74/41/72/564744172.db2.gz CTGHUNOMGSLMFV-LJQANCHMSA-N 2 1 391.309 2.881 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(I)c1 ZINC000579621033 564749388 /nfs/dbraw/zinc/74/93/88/564749388.db2.gz OICCYXDZZVDHSW-INIZCTEOSA-N 2 1 388.293 2.618 20 0 GFADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1cc(F)cc(Br)c1 ZINC000459690837 564756385 /nfs/dbraw/zinc/75/63/85/564756385.db2.gz FRVIGYSGFOJUEF-AWEZNQCLSA-N 2 1 385.321 2.956 20 0 GFADMP C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490699923 564780436 /nfs/dbraw/zinc/78/04/36/564780436.db2.gz OMWHIOVQYYGIMW-APWZRJJASA-N 2 1 396.373 2.786 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000493948611 564813766 /nfs/dbraw/zinc/81/37/66/564813766.db2.gz HHJFSBPQNDMLLY-GFCCVEGCSA-N 2 1 378.464 2.650 20 0 GFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000556260479 564816067 /nfs/dbraw/zinc/81/60/67/564816067.db2.gz PMFBARNISIXBGO-CVEARBPZSA-N 2 1 384.362 2.957 20 0 GFADMP Brc1cc2c(cc1C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530244240 564873312 /nfs/dbraw/zinc/87/33/12/564873312.db2.gz ZUBJOPZWUNMYIU-OAHLLOKOSA-N 2 1 397.313 2.768 20 0 GFADMP O=C([C@@H]1CCC[N@H+](Cc2csc(-c3cccs3)n2)C1)N1CC[NH2+]CC1 ZINC000470004357 565034605 /nfs/dbraw/zinc/03/46/05/565034605.db2.gz XOTBESMMAOQYSD-CQSZACIVSA-N 2 1 376.551 2.515 20 0 GFADMP O=C([C@@H]1CCC[N@@H+](Cc2csc(-c3cccs3)n2)C1)N1CC[NH2+]CC1 ZINC000470004357 565034607 /nfs/dbraw/zinc/03/46/07/565034607.db2.gz XOTBESMMAOQYSD-CQSZACIVSA-N 2 1 376.551 2.515 20 0 GFADMP [NH3+][C@H]1CCc2ncc(NC(=O)c3sc4c(c3Br)C[NH2+]C4)cc2C1 ZINC000659303755 565211783 /nfs/dbraw/zinc/21/17/83/565211783.db2.gz VGEZTVVZFOJSHR-VIFPVBQESA-N 2 1 393.310 2.577 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(Cc3cc(Br)ccc3Cl)nn2)CC1 ZINC000641040471 565342057 /nfs/dbraw/zinc/34/20/57/565342057.db2.gz KFUMGPNKPYUFCT-UHFFFAOYSA-N 2 1 398.736 2.708 20 0 GFADMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)C[NH+]1CCCCC1 ZINC000662395029 565364447 /nfs/dbraw/zinc/36/44/47/565364447.db2.gz PBROTSAVSSAWAD-LLVKDONJSA-N 2 1 386.359 2.966 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662396955 565364538 /nfs/dbraw/zinc/36/45/38/565364538.db2.gz QLWDVXRAMFUMQT-NSHDSACASA-N 2 1 384.343 2.814 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662518532 565373334 /nfs/dbraw/zinc/37/33/34/565373334.db2.gz STKYKKYFMWZKHT-LLVKDONJSA-N 2 1 384.343 2.576 20 0 GFADMP CC[C@@H]([NH2+][C@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547469 565435766 /nfs/dbraw/zinc/43/57/66/565435766.db2.gz FVXVKCLJCYNOKM-GOEBONIOSA-N 2 1 385.961 2.964 20 0 GFADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)cc3F)cc2)C1 ZINC000623564157 565519215 /nfs/dbraw/zinc/51/92/15/565519215.db2.gz UIXPMRNGINEENI-INIZCTEOSA-N 2 1 394.288 2.840 20 0 GFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ncc(Br)cc3F)cc2)C1 ZINC000623564157 565519219 /nfs/dbraw/zinc/51/92/19/565519219.db2.gz UIXPMRNGINEENI-INIZCTEOSA-N 2 1 394.288 2.840 20 0 GFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Br)cc1C(F)(F)F ZINC000647492325 565661507 /nfs/dbraw/zinc/66/15/07/565661507.db2.gz CAPQGKYVXUCGKL-UHFFFAOYSA-N 2 1 380.252 2.805 20 0 GFADMP C[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000669582575 565694249 /nfs/dbraw/zinc/69/42/49/565694249.db2.gz AIHYAYGKIZVJFQ-BXUZGUMPSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000669582575 565694251 /nfs/dbraw/zinc/69/42/51/565694251.db2.gz AIHYAYGKIZVJFQ-BXUZGUMPSA-N 2 1 380.842 2.912 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649411768 565761058 /nfs/dbraw/zinc/76/10/58/565761058.db2.gz AAQXQAZMBCYHAM-LSDHHAIUSA-N 2 1 395.345 2.884 20 0 GFADMP c1sc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1-c1nn[nH]n1 ZINC000826521736 608136006 /nfs/dbraw/zinc/13/60/06/608136006.db2.gz XATKJRQNQINBET-ZYSHUDEJSA-N 2 1 380.521 2.928 20 0 GFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nc(Br)cs2)CC1 ZINC000834508237 660822765 /nfs/dbraw/zinc/82/27/65/660822765.db2.gz JLDSBFBIABTKMP-CYBMUJFWSA-N 2 1 375.380 2.974 20 0 GFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000127944276 654837919 /nfs/dbraw/zinc/83/79/19/654837919.db2.gz JNOOPSDXIIMSOR-ZFWWWQNUSA-N 2 1 398.345 2.696 20 0 GFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461229 654907848 /nfs/dbraw/zinc/90/78/48/654907848.db2.gz UIASIPNNMCWUEG-OCCSQVGLSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000131461229 654907851 /nfs/dbraw/zinc/90/78/51/654907851.db2.gz UIASIPNNMCWUEG-OCCSQVGLSA-N 2 1 386.309 2.826 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000293978575 655363674 /nfs/dbraw/zinc/36/36/74/655363674.db2.gz BNDYUKSJDCWEHX-PXAZEXFGSA-N 2 1 379.302 2.580 20 0 GFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cn3c4ccc(Br)cc4oc3=O)C2)CC1 ZINC000755780988 655888947 /nfs/dbraw/zinc/88/89/47/655888947.db2.gz RHXAFCWVKIWCGD-CQSZACIVSA-N 2 1 394.313 2.978 20 0 GFADMP Brc1ccc2nc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000843122837 661370363 /nfs/dbraw/zinc/37/03/63/661370363.db2.gz OUAJMXRUCOHAOJ-CYBMUJFWSA-N 2 1 381.343 2.538 20 0 GFADMP Brc1ccc2nc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)sc2c1 ZINC000843122837 661370366 /nfs/dbraw/zinc/37/03/66/661370366.db2.gz OUAJMXRUCOHAOJ-CYBMUJFWSA-N 2 1 381.343 2.538 20 0 GFADMP O=C(C=C1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000852871901 661876075 /nfs/dbraw/zinc/87/60/75/661876075.db2.gz DPVHXQVQVCAKMP-UHFFFAOYSA-N 2 1 392.341 2.840 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147755 662756585 /nfs/dbraw/zinc/75/65/85/662756585.db2.gz DKMDWAVNIBSONG-JQWIXIFHSA-N 2 1 379.810 2.746 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000872147755 662756588 /nfs/dbraw/zinc/75/65/88/662756588.db2.gz DKMDWAVNIBSONG-JQWIXIFHSA-N 2 1 379.810 2.746 20 0 GFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000877055866 662870317 /nfs/dbraw/zinc/87/03/17/662870317.db2.gz WKXAFTOSDMDOAS-MAUKXSAKSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000877055866 662870319 /nfs/dbraw/zinc/87/03/19/662870319.db2.gz WKXAFTOSDMDOAS-MAUKXSAKSA-N 2 1 379.551 2.568 20 0 GFADMP C[NH2+][C@@H](C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(Cl)c1Cl ZINC000877329744 662873758 /nfs/dbraw/zinc/87/37/58/662873758.db2.gz XWCYFJIMPCVHKY-BLLLJJGKSA-N 2 1 386.323 2.529 20 0 GFADMP COCC[N@@H+](C[C@@H](O)c1ccccc1Br)CC1CC[NH+](C)CC1 ZINC000879126217 662917914 /nfs/dbraw/zinc/91/79/14/662917914.db2.gz VRPUMPRNLUQILU-GOSISDBHSA-N 2 1 385.346 2.773 20 0 GFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2I)C1 ZINC000894179840 663447093 /nfs/dbraw/zinc/44/70/93/663447093.db2.gz HHCDEKMFVHVGJK-ZDUSSCGKSA-N 2 1 390.313 2.626 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903963507 663813976 /nfs/dbraw/zinc/81/39/76/663813976.db2.gz AAZVUVVGUAHQAY-CXAGYDPISA-N 2 1 380.330 2.560 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091024 663852240 /nfs/dbraw/zinc/85/22/40/663852240.db2.gz XDADFGCNXXWGGQ-SJORKVTESA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1 ZINC000905091024 663852242 /nfs/dbraw/zinc/85/22/42/663852242.db2.gz XDADFGCNXXWGGQ-SJORKVTESA-N 2 1 388.339 2.559 20 0 GFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388431 664598055 /nfs/dbraw/zinc/59/80/55/664598055.db2.gz DWJFCTIHMXREBG-TVFCKZIOSA-N 2 1 382.346 2.722 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387840 664598217 /nfs/dbraw/zinc/59/82/17/664598217.db2.gz BHPRWQMJYPDEIK-MOIQIXESSA-N 2 1 383.330 2.724 20 0 GFADMP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389644 664598523 /nfs/dbraw/zinc/59/85/23/664598523.db2.gz IWNZNCHJSVRWEB-MWQQHZPXSA-N 2 1 386.309 2.553 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389644 664598524 /nfs/dbraw/zinc/59/85/24/664598524.db2.gz IWNZNCHJSVRWEB-MWQQHZPXSA-N 2 1 386.309 2.553 20 0 GFADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999495 664664980 /nfs/dbraw/zinc/66/49/80/664664980.db2.gz JDFLXSADWZPBQP-RHSMWYFYSA-N 2 1 394.357 2.790 20 0 GFADMP Clc1nc2c(c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n1)C[NH2+]CC2 ZINC001164626188 719052828 /nfs/dbraw/zinc/05/28/28/719052828.db2.gz QYBNYAMTTRZHQI-LPHOPBHVSA-N 2 1 383.927 2.877 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001164820205 720155124 /nfs/dbraw/zinc/15/51/24/720155124.db2.gz ZSYSUMONQMSZJF-HRAATJIYSA-N 2 1 390.959 2.565 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739959 720833525 /nfs/dbraw/zinc/83/35/25/720833525.db2.gz BDJBYPGOEBAVOB-QKNQBKEWSA-N 2 1 396.539 2.840 20 0 GFADMP Cc1cc2ccccc2c(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH+]1 ZINC001164875389 721278888 /nfs/dbraw/zinc/27/88/88/721278888.db2.gz VZGMCKOFEPKKNP-UHFFFAOYSA-N 2 1 396.535 2.550 20 0 GFADMP c1csc(C[NH+]2C[C@@H]3CN(c4cccc(OCC[NH+]5CCCC5)n4)C[C@H]3C2)n1 ZINC001164788276 721421554 /nfs/dbraw/zinc/42/15/54/721421554.db2.gz RSBJNLMORKVZBJ-QZTJIDSGSA-N 2 1 399.564 2.581 20 0 GFADMP Cc1cnc(N2CCC3(CC([N@@H+](C)Cc4ccncc4)C3)CC2)nc1C1C[NH2+]C1 ZINC001164795205 721504765 /nfs/dbraw/zinc/50/47/65/721504765.db2.gz HDBCTTUOYGVGEQ-UHFFFAOYSA-N 2 1 392.551 2.748 20 0 GFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@@H]2CCCO[C@@H]12 ZINC001164798220 721567628 /nfs/dbraw/zinc/56/76/28/721567628.db2.gz AZUFHDNORWZSFY-MQSCRBSSSA-N 2 1 393.535 2.945 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@H]3CCCO[C@@H]32)nc1)C1CC1 ZINC001164958022 722051343 /nfs/dbraw/zinc/05/13/43/722051343.db2.gz AKWVNUUWJHTXMA-XQFWAAQXSA-N 2 1 393.535 2.976 20 0 GFADMP O[C@H](COc1c(Cl)cccc1Cl)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151109513 551407524 /nfs/dbraw/zinc/40/75/24/551407524.db2.gz MVYPBJAISZVGKA-HNNXBMFYSA-N 2 1 382.291 2.950 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Cl)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151298809 551410935 /nfs/dbraw/zinc/41/09/35/551410935.db2.gz OWIZUIMVPHJCPL-INIZCTEOSA-N 2 1 382.291 2.950 20 0 GFADMP Cc1ccc(N2CCC([NH2+][C@@H](C)Cn3cc(Br)cn3)CC2)[nH+]c1 ZINC000163493781 551620034 /nfs/dbraw/zinc/62/00/34/551620034.db2.gz DRUMPAMIJACYCB-AWEZNQCLSA-N 2 1 378.318 2.996 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC[NH2+]CC1 ZINC000236686106 553070529 /nfs/dbraw/zinc/07/05/29/553070529.db2.gz FTGPJQKPVOSDMM-UHFFFAOYSA-N 2 1 380.330 2.529 20 0 GFADMP C[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1c[nH+]ccc1N ZINC000423156073 563356849 /nfs/dbraw/zinc/35/68/49/563356849.db2.gz LZXMQYMSUJFAGW-AAEUAGOBSA-N 2 1 382.277 2.898 20 0 GFADMP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@@H+](CCO)C[C@@H]3C)c2cc1Br ZINC000425265442 563415510 /nfs/dbraw/zinc/41/55/10/563415510.db2.gz DPYOYGNRVBVIMZ-OLZOCXBDSA-N 2 1 394.313 2.897 20 0 GFADMP Cc1cc(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)ccc1Br ZINC000378266773 563500666 /nfs/dbraw/zinc/50/06/66/563500666.db2.gz BQUDGYBDCRWLCS-OAHLLOKOSA-N 2 1 380.330 2.656 20 0 GFADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332253711 563587254 /nfs/dbraw/zinc/58/72/54/563587254.db2.gz AJNZJDNUHGLAIL-PXAZEXFGSA-N 2 1 385.339 2.946 20 0 GFADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332253713 563587322 /nfs/dbraw/zinc/58/73/22/563587322.db2.gz AJNZJDNUHGLAIL-SJCJKPOMSA-N 2 1 385.339 2.946 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000363787096 563733352 /nfs/dbraw/zinc/73/33/52/563733352.db2.gz VYBMRDIQNSWENN-INIZCTEOSA-N 2 1 385.599 2.611 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[C@H]1CC1(Cl)Cl ZINC000364171153 563745349 /nfs/dbraw/zinc/74/53/49/563745349.db2.gz BFYHARWKJUCFON-MRXNPFEDSA-N 2 1 376.372 2.835 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673671 563749290 /nfs/dbraw/zinc/74/92/90/563749290.db2.gz JEYBQTYFFMRHQT-YOEHRIQHSA-N 2 1 380.330 2.783 20 0 GFADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743973 563752006 /nfs/dbraw/zinc/75/20/06/563752006.db2.gz NUNAJORTWBHELR-WBVHZDCISA-N 2 1 396.373 2.899 20 0 GFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743354 563752082 /nfs/dbraw/zinc/75/20/82/563752082.db2.gz IQSJTOUBJJXBKJ-QLFBSQMISA-N 2 1 395.345 2.883 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414779631 563752953 /nfs/dbraw/zinc/75/29/53/563752953.db2.gz JSKRGMYPYYXAGP-UHFFFAOYSA-N 2 1 385.302 2.541 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Br)cc1)C2 ZINC000368844668 563879953 /nfs/dbraw/zinc/87/99/53/563879953.db2.gz HVUCOXCDRDCABS-WFASDCNBSA-N 2 1 377.286 2.886 20 0 GFADMP C[NH2+][C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417568258 563884061 /nfs/dbraw/zinc/88/40/61/563884061.db2.gz KEGJZQLGIAMPQF-OAHLLOKOSA-N 2 1 385.339 2.961 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)C[NH+](C)[C@H]3CCSC3)C2)s1 ZINC000563266340 564183352 /nfs/dbraw/zinc/18/33/52/564183352.db2.gz NBUFXFWEKKCYNI-SJORKVTESA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@H+](C)[C@H]3CCSC3)C2)s1 ZINC000563266340 564183356 /nfs/dbraw/zinc/18/33/56/564183356.db2.gz NBUFXFWEKKCYNI-SJORKVTESA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C(=O)C[N@@H+](C)[C@H]3CCSC3)C2)s1 ZINC000563266340 564183360 /nfs/dbraw/zinc/18/33/60/564183360.db2.gz NBUFXFWEKKCYNI-SJORKVTESA-N 2 1 381.611 2.774 20 0 GFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(Br)ccc1F ZINC000449600972 564191963 /nfs/dbraw/zinc/19/19/63/564191963.db2.gz QAUGCQZSGCBGEL-XKQJLSEDSA-N 2 1 385.321 2.956 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045888 564354568 /nfs/dbraw/zinc/35/45/68/564354568.db2.gz JCLYSOFSTXUKTN-XJKCOSOUSA-N 2 1 388.293 2.988 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000453384950 564456383 /nfs/dbraw/zinc/45/63/83/564456383.db2.gz UJOPCSWSNDIAND-QRTARXTBSA-N 2 1 385.346 2.539 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480387031 564471004 /nfs/dbraw/zinc/47/10/04/564471004.db2.gz JJIYSXKYWGSGBG-SNVBAGLBSA-N 2 1 394.766 2.841 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cc(Br)c(Cl)s2)C1 ZINC000480387031 564471005 /nfs/dbraw/zinc/47/10/05/564471005.db2.gz JJIYSXKYWGSGBG-SNVBAGLBSA-N 2 1 394.766 2.841 20 0 GFADMP C[C@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[NH+]1C ZINC000456371804 564603784 /nfs/dbraw/zinc/60/37/84/564603784.db2.gz NEQJZTKYAAWSPC-SUMWQHHRSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[NH+]1C ZINC000456371804 564603785 /nfs/dbraw/zinc/60/37/85/564603785.db2.gz NEQJZTKYAAWSPC-SUMWQHHRSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000456371804 564603788 /nfs/dbraw/zinc/60/37/88/564603788.db2.gz NEQJZTKYAAWSPC-SUMWQHHRSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000456371804 564603791 /nfs/dbraw/zinc/60/37/91/564603791.db2.gz NEQJZTKYAAWSPC-SUMWQHHRSA-N 2 1 395.345 2.622 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816218 564655165 /nfs/dbraw/zinc/65/51/65/564655165.db2.gz YWCWBYCUTYYMKA-ZBFHGGJFSA-N 2 1 399.329 2.882 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552226044 564682693 /nfs/dbraw/zinc/68/26/93/564682693.db2.gz USVBXYNWXASQNG-YESZJQIVSA-N 2 1 380.330 2.641 20 0 GFADMP C[C@@H]1C[N@@H+](CCOc2cccc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000490983269 564784339 /nfs/dbraw/zinc/78/43/39/564784339.db2.gz BTXZGERAXIQFHY-APWZRJJASA-N 2 1 396.373 2.786 20 0 GFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484243 564804636 /nfs/dbraw/zinc/80/46/36/564804636.db2.gz YSNNJXJJVIMYJA-XJKSGUPXSA-N 2 1 389.309 2.649 20 0 GFADMP Fc1c(Br)ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1F ZINC000530223388 564873141 /nfs/dbraw/zinc/87/31/41/564873141.db2.gz UYMPBJGHLKFKCZ-KWCYVHTRSA-N 2 1 375.257 2.974 20 0 GFADMP Cc1c(Br)cc(C[NH2+]C[C@@]2(O)CCN(C)C2)cc1Br ZINC000560080244 564948730 /nfs/dbraw/zinc/94/87/30/564948730.db2.gz KNPHJYKTOLIDKS-AWEZNQCLSA-N 2 1 392.135 2.676 20 0 GFADMP Cc1c(Br)cc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000560080244 564948732 /nfs/dbraw/zinc/94/87/32/564948732.db2.gz KNPHJYKTOLIDKS-AWEZNQCLSA-N 2 1 392.135 2.676 20 0 GFADMP Cc1c(Br)cc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1Br ZINC000560080244 564948735 /nfs/dbraw/zinc/94/87/35/564948735.db2.gz KNPHJYKTOLIDKS-AWEZNQCLSA-N 2 1 392.135 2.676 20 0 GFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401379 564962767 /nfs/dbraw/zinc/96/27/67/564962767.db2.gz ZDBIAHYALJRZDI-QZTJIDSGSA-N 2 1 383.330 2.573 20 0 GFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401379 564962768 /nfs/dbraw/zinc/96/27/68/564962768.db2.gz ZDBIAHYALJRZDI-QZTJIDSGSA-N 2 1 383.330 2.573 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)cc(Cl)c1 ZINC000535157206 565006573 /nfs/dbraw/zinc/00/65/73/565006573.db2.gz UVLBVNJKGWLPNH-INIZCTEOSA-N 2 1 391.940 2.516 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470024118 565035848 /nfs/dbraw/zinc/03/58/48/565035848.db2.gz INHPZFVHWWVFRD-CQSZACIVSA-N 2 1 398.345 2.525 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000470024118 565035851 /nfs/dbraw/zinc/03/58/51/565035851.db2.gz INHPZFVHWWVFRD-CQSZACIVSA-N 2 1 398.345 2.525 20 0 GFADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000470012551 565035873 /nfs/dbraw/zinc/03/58/73/565035873.db2.gz IZAVHZFATNKUQE-CQSZACIVSA-N 2 1 378.929 2.750 20 0 GFADMP [NH3+][C@@H](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000638878259 565215988 /nfs/dbraw/zinc/21/59/88/565215988.db2.gz ALVPLORGXNQOOG-WMLDXEAASA-N 2 1 376.298 2.525 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2sccc2Br)CC1 ZINC000619176627 565330833 /nfs/dbraw/zinc/33/08/33/565330833.db2.gz IYRSSEZQDLIENJ-UHFFFAOYSA-N 2 1 381.299 2.910 20 0 GFADMP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000662402423 565366477 /nfs/dbraw/zinc/36/64/77/565366477.db2.gz JQWVEBSZVXSEHT-KRWDZBQOSA-N 2 1 376.298 2.697 20 0 GFADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000662402423 565366482 /nfs/dbraw/zinc/36/64/82/565366482.db2.gz JQWVEBSZVXSEHT-KRWDZBQOSA-N 2 1 376.298 2.697 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662520888 565373957 /nfs/dbraw/zinc/37/39/57/565373957.db2.gz BBZCZXAEDMDOQT-GHMZBOCLSA-N 2 1 384.343 2.576 20 0 GFADMP [NH3+][C@@H](C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684956 565382209 /nfs/dbraw/zinc/38/22/09/565382209.db2.gz MDSDURZHMVPTTD-DLBZAZTESA-N 2 1 390.281 2.749 20 0 GFADMP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466022 565422660 /nfs/dbraw/zinc/42/26/60/565422660.db2.gz NDBNINFGEIDZME-GDBMZVCRSA-N 2 1 382.346 2.711 20 0 GFADMP Ic1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594995056 565441093 /nfs/dbraw/zinc/44/10/93/565441093.db2.gz YSBKJVMNDZNVER-MRXNPFEDSA-N 2 1 386.277 2.634 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c1cccc2Br ZINC000665763469 565510687 /nfs/dbraw/zinc/51/06/87/565510687.db2.gz BMCKREZDCSIUBJ-AWEZNQCLSA-N 2 1 397.361 2.793 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2c1cccc2Br ZINC000665763469 565510690 /nfs/dbraw/zinc/51/06/90/565510690.db2.gz BMCKREZDCSIUBJ-AWEZNQCLSA-N 2 1 397.361 2.793 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Br)c1C ZINC000667811581 565606480 /nfs/dbraw/zinc/60/64/80/565606480.db2.gz PPWQBBULDSDRTR-HNNXBMFYSA-N 2 1 397.361 2.641 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(Br)c1C ZINC000667811582 565606752 /nfs/dbraw/zinc/60/67/52/565606752.db2.gz PPWQBBULDSDRTR-OAHLLOKOSA-N 2 1 397.361 2.641 20 0 GFADMP Brc1cccc(-c2cnc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000649419090 565760486 /nfs/dbraw/zinc/76/04/86/565760486.db2.gz DNPIRPVQNBZYPF-MRXNPFEDSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1cccc(-c2cnc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)o2)c1 ZINC000649419090 565760494 /nfs/dbraw/zinc/76/04/94/565760494.db2.gz DNPIRPVQNBZYPF-MRXNPFEDSA-N 2 1 391.313 2.584 20 0 GFADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1O ZINC000650707364 565833155 /nfs/dbraw/zinc/83/31/55/565833155.db2.gz DQHRPTAXRZFISI-QEORTHHSSA-N 2 1 399.329 2.882 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccccc2Br)CC1 ZINC000603220088 565891517 /nfs/dbraw/zinc/89/15/17/565891517.db2.gz HDAXWEHILADVOL-UHFFFAOYSA-N 2 1 375.270 2.848 20 0 GFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821808328 599428881 /nfs/dbraw/zinc/42/88/81/599428881.db2.gz DLPTVRHUMXFKIA-LJQANCHMSA-N 2 1 392.507 2.530 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)cc1 ZINC000826330796 609423747 /nfs/dbraw/zinc/42/37/47/609423747.db2.gz IOTWLBIEFCLELH-VLIAUNLRSA-N 2 1 389.463 2.745 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063009 660245056 /nfs/dbraw/zinc/24/50/56/660245056.db2.gz VMXXXJUQZOQAEV-MAUKXSAKSA-N 2 1 383.330 2.716 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063011 660245216 /nfs/dbraw/zinc/24/52/16/660245216.db2.gz VMXXXJUQZOQAEV-YJBOKZPZSA-N 2 1 383.330 2.716 20 0 GFADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1O ZINC000094082887 655027015 /nfs/dbraw/zinc/02/70/15/655027015.db2.gz DSCFCABYXDJDRG-OAHLLOKOSA-N 2 1 398.345 2.643 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1O ZINC000094082887 655027020 /nfs/dbraw/zinc/02/70/20/655027020.db2.gz DSCFCABYXDJDRG-OAHLLOKOSA-N 2 1 398.345 2.643 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325233175 655384525 /nfs/dbraw/zinc/38/45/25/655384525.db2.gz FONHCNXMFBPLTE-CZUORRHYSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325233175 655384526 /nfs/dbraw/zinc/38/45/26/655384526.db2.gz FONHCNXMFBPLTE-CZUORRHYSA-N 2 1 398.320 2.668 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccc(Br)o1 ZINC000750735585 655816680 /nfs/dbraw/zinc/81/66/80/655816680.db2.gz YXLYKOIWSDKMGE-WWRUEGTHSA-N 2 1 398.345 2.930 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2Br)C1 ZINC000751997981 655838239 /nfs/dbraw/zinc/83/82/39/655838239.db2.gz KFXXJIYDOOANIT-MAUKXSAKSA-N 2 1 385.346 2.915 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(C)C[C@]1(F)Cl ZINC000845411219 661469512 /nfs/dbraw/zinc/46/95/12/661469512.db2.gz QEIVMLBYVMCTAD-KBAYOESNSA-N 2 1 376.948 2.749 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022931 661849608 /nfs/dbraw/zinc/84/96/08/661849608.db2.gz OOVJXYDSNPQFKS-AWEZNQCLSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022931 661849610 /nfs/dbraw/zinc/84/96/10/661849610.db2.gz OOVJXYDSNPQFKS-AWEZNQCLSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022931 661849612 /nfs/dbraw/zinc/84/96/12/661849612.db2.gz OOVJXYDSNPQFKS-AWEZNQCLSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCn3cnc(Br)n3)C2)s1 ZINC000852022931 661849614 /nfs/dbraw/zinc/84/96/14/661849614.db2.gz OOVJXYDSNPQFKS-AWEZNQCLSA-N 2 1 398.374 2.864 20 0 GFADMP Cc1cc(Br)ccc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855345443 661987150 /nfs/dbraw/zinc/98/71/50/661987150.db2.gz ALZSKECKAGWKEN-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnc(Br)cn1 ZINC000856733628 662039681 /nfs/dbraw/zinc/03/96/81/662039681.db2.gz DOVBJEDNSBSGRU-UHFFFAOYSA-N 2 1 396.377 2.872 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000863543358 662335960 /nfs/dbraw/zinc/33/59/60/662335960.db2.gz YPTRTFTXNBMXDL-INIZCTEOSA-N 2 1 378.314 2.778 20 0 GFADMP C[C@@H]1C[N@H+](CCc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878323976 662893828 /nfs/dbraw/zinc/89/38/28/662893828.db2.gz FRPSHCDCDGMGKF-APWZRJJASA-N 2 1 380.374 2.949 20 0 GFADMP C[C@@H]1C[N@@H+](CCc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878323976 662893829 /nfs/dbraw/zinc/89/38/29/662893829.db2.gz FRPSHCDCDGMGKF-APWZRJJASA-N 2 1 380.374 2.949 20 0 GFADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894242084 663450484 /nfs/dbraw/zinc/45/04/84/663450484.db2.gz RVMRUKSRHPAPMT-UHFFFAOYSA-N 2 1 398.292 2.766 20 0 GFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn(C)nc2I)c1 ZINC000894242084 663450487 /nfs/dbraw/zinc/45/04/87/663450487.db2.gz RVMRUKSRHPAPMT-UHFFFAOYSA-N 2 1 398.292 2.766 20 0 GFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cc(C(F)(F)F)cc(S(C)(=O)=O)c2)C1 ZINC000902385388 663760647 /nfs/dbraw/zinc/76/06/47/663760647.db2.gz TXGHWOSBYQKGSO-AWEZNQCLSA-N 2 1 378.460 2.977 20 0 GFADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)COc1ccccc1Br ZINC000903125682 663775101 /nfs/dbraw/zinc/77/51/01/663775101.db2.gz NPOSVCVPVGKHSV-CVGRLMLNSA-N 2 1 395.341 2.936 20 0 GFADMP FC1(F)CC[NH2+]C[C@@H]1C[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000903954517 663813603 /nfs/dbraw/zinc/81/36/03/663813603.db2.gz DFAHMBIPMBNXDN-LLVKDONJSA-N 2 1 377.229 2.555 20 0 GFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288473 664627436 /nfs/dbraw/zinc/62/74/36/664627436.db2.gz KEOKWXQLVJLAMI-SCRDCRAPSA-N 2 1 391.737 2.901 20 0 GFADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1ccc(Br)cn1 ZINC000923324532 664628278 /nfs/dbraw/zinc/62/82/78/664628278.db2.gz XITLVVUONXACOO-LQDVMPOASA-N 2 1 381.318 2.635 20 0 GFADMP C[C@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1C[NH3+] ZINC000923496919 664631377 /nfs/dbraw/zinc/63/13/77/664631377.db2.gz KHQVWGGENKUMBL-JSGCOSHPSA-N 2 1 379.302 2.840 20 0 GFADMP C[C@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@H]1C[NH3+] ZINC000923496919 664631378 /nfs/dbraw/zinc/63/13/78/664631378.db2.gz KHQVWGGENKUMBL-JSGCOSHPSA-N 2 1 379.302 2.840 20 0 GFADMP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000925720032 664674236 /nfs/dbraw/zinc/67/42/36/664674236.db2.gz DIFIXZOBAIJBDQ-HGSJOUDDSA-N 2 1 375.257 2.883 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(N3CCCC3)cc(C)[nH+]1)C2 ZINC001164809153 720066765 /nfs/dbraw/zinc/06/67/65/720066765.db2.gz ISCLOWJQCZUVSF-KNQAVFIVSA-N 2 1 385.556 2.570 20 0 GFADMP c1cc2c[nH+]c(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)cc2[nH]1 ZINC001164744918 720815310 /nfs/dbraw/zinc/81/53/10/720815310.db2.gz JSDKMACYTUNGGR-CMKODMSKSA-N 2 1 377.496 2.534 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164889512 721417580 /nfs/dbraw/zinc/41/75/80/721417580.db2.gz RIFPLFJKBSJFFH-GCJKJVERSA-N 2 1 383.540 2.637 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1C[C@@H]([N@@H+](C)Cc2cccnc2)[C@@H]2OCCC[C@H]21 ZINC001164804371 721541052 /nfs/dbraw/zinc/54/10/52/721541052.db2.gz JPDUGBLUHGEAMZ-NJDAHSKKSA-N 2 1 377.492 2.837 20 0 GFADMP Cc1ccc(C[N@H+]2CCOC3(CCN(c4ccc5c(n4)CC[NH2+]C5)CC3)C2)cc1 ZINC001164941016 721922173 /nfs/dbraw/zinc/92/21/73/721922173.db2.gz YTVFQAJJJUURRE-UHFFFAOYSA-N 2 1 392.547 2.907 20 0 GFADMP C[C@@]([NH3+])(C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761057 553158540 /nfs/dbraw/zinc/15/85/40/553158540.db2.gz NMFUMXDIGGIBTB-QAPCUYQASA-N 2 1 380.330 2.756 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261972602 553163631 /nfs/dbraw/zinc/16/36/31/553163631.db2.gz ZFIMLKAUTZBPNZ-WBVHZDCISA-N 2 1 380.330 2.529 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@H]21 ZINC000262040526 553164545 /nfs/dbraw/zinc/16/45/45/553164545.db2.gz YGXKRAMEKSXBLI-ZTFGCOKTSA-N 2 1 394.357 2.845 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@H]21 ZINC000262040526 553164548 /nfs/dbraw/zinc/16/45/48/553164548.db2.gz YGXKRAMEKSXBLI-ZTFGCOKTSA-N 2 1 394.357 2.845 20 0 GFADMP C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000563529291 564195520 /nfs/dbraw/zinc/19/55/20/564195520.db2.gz YHQIUSMUNNSYES-ZDUSSCGKSA-N 2 1 377.710 2.526 20 0 GFADMP Cc1cc(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)ccc1Br ZINC000423052121 563353966 /nfs/dbraw/zinc/35/39/66/563353966.db2.gz PTPXFGALYNNLNE-DVJFUJMWSA-N 2 1 378.314 2.735 20 0 GFADMP C[C@H](C[NH2+]Cc1c(F)ccc(Br)c1F)CN1CC[NH+](C)CC1 ZINC000281938192 563391230 /nfs/dbraw/zinc/39/12/30/563391230.db2.gz HVLZPEOANZWZLC-GFCCVEGCSA-N 2 1 376.289 2.700 20 0 GFADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000397318227 563531624 /nfs/dbraw/zinc/53/16/24/563531624.db2.gz MFEWTNODSWPCJJ-YCPHGPKFSA-N 2 1 382.346 2.713 20 0 GFADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000397318227 563531631 /nfs/dbraw/zinc/53/16/31/563531631.db2.gz MFEWTNODSWPCJJ-YCPHGPKFSA-N 2 1 382.346 2.713 20 0 GFADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1Cl ZINC000332563207 563605051 /nfs/dbraw/zinc/60/50/51/563605051.db2.gz WCLSGJJLRJFIQF-UHFFFAOYSA-N 2 1 385.961 2.874 20 0 GFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160203 563715776 /nfs/dbraw/zinc/71/57/76/563715776.db2.gz ALCWZDOOHPSXKZ-HZPDHXFCSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000363160203 563715780 /nfs/dbraw/zinc/71/57/80/563715780.db2.gz ALCWZDOOHPSXKZ-HZPDHXFCSA-N 2 1 385.599 2.611 20 0 GFADMP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444055 563725693 /nfs/dbraw/zinc/72/56/93/563725693.db2.gz BMFLSDIYQWAJFP-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444055 563725696 /nfs/dbraw/zinc/72/56/96/563725696.db2.gz BMFLSDIYQWAJFP-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444055 563725699 /nfs/dbraw/zinc/72/56/99/563725699.db2.gz BMFLSDIYQWAJFP-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444055 563725701 /nfs/dbraw/zinc/72/57/01/563725701.db2.gz BMFLSDIYQWAJFP-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673670 563749346 /nfs/dbraw/zinc/74/93/46/563749346.db2.gz JEYBQTYFFMRHQT-WMLDXEAASA-N 2 1 380.330 2.783 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292232170 563779368 /nfs/dbraw/zinc/77/93/68/563779368.db2.gz VXRJWMBTBKMAAC-BEFAXECRSA-N 2 1 394.357 2.824 20 0 GFADMP C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417568257 563884029 /nfs/dbraw/zinc/88/40/29/563884029.db2.gz KEGJZQLGIAMPQF-HNNXBMFYSA-N 2 1 385.339 2.961 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000539832379 564229403 /nfs/dbraw/zinc/22/94/03/564229403.db2.gz RZCBCZQAKLRCKL-UHFFFAOYSA-N 2 1 385.302 2.720 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cscc1Br ZINC000509072827 564281070 /nfs/dbraw/zinc/28/10/70/564281070.db2.gz WNZGEUUGYLIYGC-CYBMUJFWSA-N 2 1 388.375 2.999 20 0 GFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000479295874 564435521 /nfs/dbraw/zinc/43/55/21/564435521.db2.gz XUGGWEGEPSCDKG-GDBMZVCRSA-N 2 1 382.346 2.557 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000453387120 564455775 /nfs/dbraw/zinc/45/57/75/564455775.db2.gz WBTCXEXDUNJOIN-VNQPRFMTSA-N 2 1 385.346 2.681 20 0 GFADMP C[C@@H]1C[N@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[NH+]1C ZINC000456371796 564603659 /nfs/dbraw/zinc/60/36/59/564603659.db2.gz NEQJZTKYAAWSPC-DYVFJYSZSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[N@@H+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[NH+]1C ZINC000456371796 564603663 /nfs/dbraw/zinc/60/36/63/564603663.db2.gz NEQJZTKYAAWSPC-DYVFJYSZSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000456371796 564603667 /nfs/dbraw/zinc/60/36/67/564603667.db2.gz NEQJZTKYAAWSPC-DYVFJYSZSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[NH+](C)CCN1c1ccc(Br)cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000456371796 564603670 /nfs/dbraw/zinc/60/36/70/564603670.db2.gz NEQJZTKYAAWSPC-DYVFJYSZSA-N 2 1 395.345 2.622 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066110 564637417 /nfs/dbraw/zinc/63/74/17/564637417.db2.gz UMRSVJGTJKPCCO-RHSMWYFYSA-N 2 1 382.346 2.537 20 0 GFADMP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1cccc(Br)c1 ZINC000575347844 564696965 /nfs/dbraw/zinc/69/69/65/564696965.db2.gz GFSKGWZJNCNHPT-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(I)c1 ZINC000579621034 564748927 /nfs/dbraw/zinc/74/89/27/564748927.db2.gz OICCYXDZZVDHSW-MRXNPFEDSA-N 2 1 388.293 2.618 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000459565084 564751409 /nfs/dbraw/zinc/75/14/09/564751409.db2.gz FUOCFDQWHSSPFT-HNNXBMFYSA-N 2 1 397.357 2.825 20 0 GFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn(-c3ccccc3Br)nn2)C1 ZINC000459726191 564760089 /nfs/dbraw/zinc/76/00/89/564760089.db2.gz BIGYEMIFMKYNEB-CQSZACIVSA-N 2 1 378.318 2.851 20 0 GFADMP Cn1ccnc1[C@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581318154 564797378 /nfs/dbraw/zinc/79/73/78/564797378.db2.gz CVDPUBIXFUYNEU-WFASDCNBSA-N 2 1 398.276 2.551 20 0 GFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225929 564881717 /nfs/dbraw/zinc/88/17/17/564881717.db2.gz GYYOMRXPWFGNIZ-SJLPKXTDSA-N 2 1 378.314 2.964 20 0 GFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225929 564881722 /nfs/dbraw/zinc/88/17/22/564881722.db2.gz GYYOMRXPWFGNIZ-SJLPKXTDSA-N 2 1 378.314 2.964 20 0 GFADMP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1(C)C ZINC000583261812 564883641 /nfs/dbraw/zinc/88/36/41/564883641.db2.gz ITJOBBQTXCRBGN-QAPCUYQASA-N 2 1 398.345 2.982 20 0 GFADMP O=C([C@@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1)N1CC[NH2+]CC1 ZINC000469991053 565035016 /nfs/dbraw/zinc/03/50/16/565035016.db2.gz IFLJBLIPLMJEFD-CQSZACIVSA-N 2 1 376.551 2.515 20 0 GFADMP O=C([C@@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1)N1CC[NH2+]CC1 ZINC000469991053 565035020 /nfs/dbraw/zinc/03/50/20/565035020.db2.gz IFLJBLIPLMJEFD-CQSZACIVSA-N 2 1 376.551 2.515 20 0 GFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838204 565044876 /nfs/dbraw/zinc/04/48/76/565044876.db2.gz BTXUTPJLUQMYME-AEFFLSMTSA-N 2 1 396.329 2.606 20 0 GFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638620464 565205674 /nfs/dbraw/zinc/20/56/74/565205674.db2.gz RGNBHLNQMBLXOQ-CQSZACIVSA-N 2 1 382.302 2.917 20 0 GFADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662578046 565378576 /nfs/dbraw/zinc/37/85/76/565378576.db2.gz PMNLZONKJOPKEW-HNNXBMFYSA-N 2 1 398.370 2.964 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(F)cncc1Br ZINC000668160279 565629846 /nfs/dbraw/zinc/62/98/46/565629846.db2.gz XVZRMHFKBUPASG-AWEZNQCLSA-N 2 1 387.341 2.831 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723198 565834488 /nfs/dbraw/zinc/83/44/88/565834488.db2.gz ITLUKOGBVDFJRX-PVAVHDDUSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723198 565834491 /nfs/dbraw/zinc/83/44/91/565834491.db2.gz ITLUKOGBVDFJRX-PVAVHDDUSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c(Br)c2)CCOCC1 ZINC000629389069 565849766 /nfs/dbraw/zinc/84/97/66/565849766.db2.gz XBNDODYSMWOJDA-UHFFFAOYSA-N 2 1 378.108 2.809 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346634 565922997 /nfs/dbraw/zinc/92/29/97/565922997.db2.gz BVUMQKAWTZKKPD-SQWLQELKSA-N 2 1 385.961 2.578 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360524 565924734 /nfs/dbraw/zinc/92/47/34/565924734.db2.gz KDZKHVDMNMBWJJ-OIISXLGYSA-N 2 1 396.329 2.748 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360524 565924746 /nfs/dbraw/zinc/92/47/46/565924746.db2.gz KDZKHVDMNMBWJJ-OIISXLGYSA-N 2 1 396.329 2.748 20 0 GFADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635443135 566213887 /nfs/dbraw/zinc/21/38/87/566213887.db2.gz FODAOANKGDPXKG-INIZCTEOSA-N 2 1 382.346 2.681 20 0 GFADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828467580 604238439 /nfs/dbraw/zinc/23/84/39/604238439.db2.gz ZGYGHYMVUOIWBG-IBGZPJMESA-N 2 1 380.577 2.505 20 0 GFADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C[C@@H]1CCCN(C(=O)[O-])C1 ZINC000828467580 604238442 /nfs/dbraw/zinc/23/84/42/604238442.db2.gz ZGYGHYMVUOIWBG-IBGZPJMESA-N 2 1 380.577 2.505 20 0 GFADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1)CC1CC1 ZINC000825419391 608211771 /nfs/dbraw/zinc/21/17/71/608211771.db2.gz OPISRNQGQKKVDR-OAQYLSRUSA-N 2 1 398.555 2.734 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826168376 608359417 /nfs/dbraw/zinc/35/94/17/608359417.db2.gz LEQRZVNIZDJYBF-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826168376 608359418 /nfs/dbraw/zinc/35/94/18/608359418.db2.gz LEQRZVNIZDJYBF-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(Br)c(CONC(=[NH2+])[C@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000818083381 660215824 /nfs/dbraw/zinc/21/58/24/660215824.db2.gz YALZHHPIAGBSON-OAHLLOKOSA-N 2 1 386.290 2.565 20 0 GFADMP COc1ccc(Br)c(CONC(=[NH2+])[C@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000818083381 660215825 /nfs/dbraw/zinc/21/58/25/660215825.db2.gz YALZHHPIAGBSON-OAHLLOKOSA-N 2 1 386.290 2.565 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1Br ZINC000819063008 660244942 /nfs/dbraw/zinc/24/49/42/660244942.db2.gz VMXXXJUQZOQAEV-CRAIPNDOSA-N 2 1 383.330 2.716 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265245 660252756 /nfs/dbraw/zinc/25/27/56/660252756.db2.gz NHFPKICHAMZFSK-DYVFJYSZSA-N 2 1 389.309 2.712 20 0 GFADMP Cc1cc(Br)ncc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000821817624 660334650 /nfs/dbraw/zinc/33/46/50/660334650.db2.gz RFELFEHCRCHOHX-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1cc(Br)ncc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000821817624 660334651 /nfs/dbraw/zinc/33/46/51/660334651.db2.gz RFELFEHCRCHOHX-ZDUSSCGKSA-N 2 1 386.338 2.546 20 0 GFADMP C[N@@H+](CCc1ccc(Br)cc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106861661 655112645 /nfs/dbraw/zinc/11/26/45/655112645.db2.gz IVRLDJOQTXFEKY-UHFFFAOYSA-N 2 1 394.357 2.666 20 0 GFADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000178413467 655303142 /nfs/dbraw/zinc/30/31/42/655303142.db2.gz DYCSSOWOZQYPTD-ZDUSSCGKSA-N 2 1 376.469 2.828 20 0 GFADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000265511989 655484868 /nfs/dbraw/zinc/48/48/68/655484868.db2.gz PRKIESPKEGLAAX-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000265511989 655484869 /nfs/dbraw/zinc/48/48/69/655484869.db2.gz PRKIESPKEGLAAX-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Cl)n1C ZINC000750735606 655816699 /nfs/dbraw/zinc/81/66/99/655816699.db2.gz ZDMMFECKLDTWBS-ZDUSSCGKSA-N 2 1 375.344 2.820 20 0 GFADMP C[C@@H](NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000843364257 661378779 /nfs/dbraw/zinc/37/87/79/661378779.db2.gz XHUFWQGROOYDOM-CQSZACIVSA-N 2 1 380.330 2.702 20 0 GFADMP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000870907197 662707689 /nfs/dbraw/zinc/70/76/89/662707689.db2.gz IAGCVHQBLCHMOA-ZSZQSSIHSA-N 2 1 392.341 2.657 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1cccc(Br)c1 ZINC000870910273 662707745 /nfs/dbraw/zinc/70/77/45/662707745.db2.gz NCKPZXDVVGCEGL-OLMNPRSZSA-N 2 1 392.341 2.924 20 0 GFADMP O=C(CC[NH+]1CCOCC1)Nc1cccc(C[NH2+]C[C@H]2CC2(Cl)Cl)c1 ZINC000877145063 662871694 /nfs/dbraw/zinc/87/16/94/662871694.db2.gz BPIHEKJKEKZUGT-OAHLLOKOSA-N 2 1 386.323 2.631 20 0 GFADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000878433467 662896207 /nfs/dbraw/zinc/89/62/07/662896207.db2.gz DWROYPRAKFCJJF-UHFFFAOYSA-N 2 1 392.341 2.749 20 0 GFADMP C[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3cccc(Br)c3)CC2)CC1 ZINC000878433467 662896208 /nfs/dbraw/zinc/89/62/08/662896208.db2.gz DWROYPRAKFCJJF-UHFFFAOYSA-N 2 1 392.341 2.749 20 0 GFADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055918 662914899 /nfs/dbraw/zinc/91/48/99/662914899.db2.gz HYIIYYMHEAPGQR-HOCLYGCPSA-N 2 1 394.357 2.837 20 0 GFADMP [NH3+]C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280880 664627267 /nfs/dbraw/zinc/62/72/67/664627267.db2.gz LEXRXBWSJPQGOP-YPMHNXCESA-N 2 1 377.710 2.513 20 0 GFADMP C[N@@H+](C[C@H](O)COc1cc(F)cc(Br)c1)C1CCC([NH3+])CC1 ZINC000923293760 664627776 /nfs/dbraw/zinc/62/77/76/664627776.db2.gz AUXWSUPYGQRVRJ-NRXISQOPSA-N 2 1 375.282 2.530 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389896 718824611 /nfs/dbraw/zinc/82/46/11/718824611.db2.gz KRFVFIKWMMYACR-CVEARBPZSA-N 2 1 389.569 2.717 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2ncc3c(n2)-c2ccccc2CC3)c2c1CC[NH2+]C2 ZINC001164680160 719634627 /nfs/dbraw/zinc/63/46/27/719634627.db2.gz QPYOLLAQTOQUQT-UHFFFAOYSA-N 2 1 388.519 2.914 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2ncc3c(n2)-c2ccccc2CC3)c2c1CC[NH2+]C2 ZINC001164680160 719634630 /nfs/dbraw/zinc/63/46/30/719634630.db2.gz QPYOLLAQTOQUQT-UHFFFAOYSA-N 2 1 388.519 2.914 20 0 GFADMP C[N@@H+](Cc1ccc(N2CCc3ncc(C[NH+]4CCCC4)n3CC2)nc1)C1CC1 ZINC001164736500 720585181 /nfs/dbraw/zinc/58/51/81/720585181.db2.gz MCYTWGQAWDBTSG-UHFFFAOYSA-N 2 1 380.540 2.531 20 0 GFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164780832 721361982 /nfs/dbraw/zinc/36/19/82/721361982.db2.gz IEGGDAFAQDRTEL-JOCHJYFZSA-N 2 1 399.539 2.573 20 0 GFADMP Cc1[nH+]c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)cc2[nH]ccc21 ZINC001164945027 721977506 /nfs/dbraw/zinc/97/75/06/721977506.db2.gz ATNDXVLRVAIQPQ-UHFFFAOYSA-N 2 1 389.503 2.842 20 0 GFADMP Cc1[nH+]c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)cc2[nH]ccc21 ZINC001164945027 721977510 /nfs/dbraw/zinc/97/75/10/721977510.db2.gz ATNDXVLRVAIQPQ-UHFFFAOYSA-N 2 1 389.503 2.842 20 0 GFADMP Cc1cnc(N2CCC[C@@]3(CC[N@H+]3Cc3cccc(F)c3)C2)nc1C1C[NH2+]C1 ZINC001164998491 722213995 /nfs/dbraw/zinc/21/39/95/722213995.db2.gz WBORWSMZFVYLCO-JOCHJYFZSA-N 2 1 381.499 2.856 20 0 GFADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000123299382 551304724 /nfs/dbraw/zinc/30/47/24/551304724.db2.gz YGRUPMQZAWCJAX-UHFFFAOYSA-N 2 1 383.334 2.836 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@H](C)Cn3cc(Br)cn3)CC2)nc(C)[nH+]1 ZINC000162269999 551606085 /nfs/dbraw/zinc/60/60/85/551606085.db2.gz BVVIQJWBTOXIOC-CYBMUJFWSA-N 2 1 393.333 2.700 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261755497 553158063 /nfs/dbraw/zinc/15/80/63/553158063.db2.gz CMCDNTRFSAIDMQ-OCCSQVGLSA-N 2 1 375.460 2.847 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000261755497 553158065 /nfs/dbraw/zinc/15/80/65/553158065.db2.gz CMCDNTRFSAIDMQ-OCCSQVGLSA-N 2 1 375.460 2.847 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1Br ZINC000423153895 563356980 /nfs/dbraw/zinc/35/69/80/563356980.db2.gz IJYNUJVPOYDEAN-TZMCWYRMSA-N 2 1 394.313 2.767 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000375411879 563404088 /nfs/dbraw/zinc/40/40/88/563404088.db2.gz AEIFTEQGUXMPLX-GDBMZVCRSA-N 2 1 389.297 2.664 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435973 563506523 /nfs/dbraw/zinc/50/65/23/563506523.db2.gz WIWWIRACOMIPRH-JOQOYGCGSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435973 563506524 /nfs/dbraw/zinc/50/65/24/563506524.db2.gz WIWWIRACOMIPRH-JOQOYGCGSA-N 2 1 379.551 2.739 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1nc2cc(Br)ccc2o1 ZINC000285481444 563522900 /nfs/dbraw/zinc/52/29/00/563522900.db2.gz CRDOSUXYMVEATP-UHFFFAOYSA-N 2 1 381.318 2.660 20 0 GFADMP CC[C@H](C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000413842244 563707544 /nfs/dbraw/zinc/70/75/44/563707544.db2.gz HSQFQDLEKTUDLE-XJKSGUPXSA-N 2 1 397.361 2.868 20 0 GFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370685 563730070 /nfs/dbraw/zinc/73/00/70/563730070.db2.gz VRHWPSUVPRFPHW-NVXWUHKLSA-N 2 1 387.977 2.978 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414930896 563754270 /nfs/dbraw/zinc/75/42/70/563754270.db2.gz BLCLRBZLTPPLGS-CZUORRHYSA-N 2 1 399.329 2.787 20 0 GFADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(I)c1OC ZINC000414948968 563755395 /nfs/dbraw/zinc/75/53/95/563755395.db2.gz MYMRJWVMHZGHBV-PWSUYJOCSA-N 2 1 390.265 2.539 20 0 GFADMP COc1sc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Br ZINC000415059165 563757901 /nfs/dbraw/zinc/75/79/01/563757901.db2.gz UNRGVHZYWPVJLR-UHFFFAOYSA-N 2 1 388.375 2.825 20 0 GFADMP C[N@@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C[C@H](O)C[NH3+] ZINC000415068642 563758120 /nfs/dbraw/zinc/75/81/20/563758120.db2.gz NHMFNABAOJAURR-OAHLLOKOSA-N 2 1 382.291 2.997 20 0 GFADMP C[N@H+](Cc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)C[C@H](O)C[NH3+] ZINC000415068642 563758121 /nfs/dbraw/zinc/75/81/21/563758121.db2.gz NHMFNABAOJAURR-OAHLLOKOSA-N 2 1 382.291 2.997 20 0 GFADMP CCC[NH2+]CCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417888300 563890964 /nfs/dbraw/zinc/89/09/64/563890964.db2.gz LXNWZLOAJKXFBW-UHFFFAOYSA-N 2 1 397.361 2.712 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136664 563907309 /nfs/dbraw/zinc/90/73/09/563907309.db2.gz VTOLOEMQKOQPJO-LRDDRELGSA-N 2 1 398.320 2.753 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136664 563907310 /nfs/dbraw/zinc/90/73/10/563907310.db2.gz VTOLOEMQKOQPJO-LRDDRELGSA-N 2 1 398.320 2.753 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc(I)cc1 ZINC000509430038 564298483 /nfs/dbraw/zinc/29/84/83/564298483.db2.gz NTAHKIBZLXNAFP-UHFFFAOYSA-N 2 1 397.260 2.921 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)COc2ccc(Cl)cc2Br)CC[N@H+]1C ZINC000566116580 564310658 /nfs/dbraw/zinc/31/06/58/564310658.db2.gz PXULMEJETGITRL-BNOWGMLFSA-N 2 1 391.737 2.915 20 0 GFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567605306 564379780 /nfs/dbraw/zinc/37/97/80/564379780.db2.gz MXVKLBJWZOOGEN-WBVHZDCISA-N 2 1 385.346 2.756 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCc3cc(Br)ccc32)CC1 ZINC000479068870 564423873 /nfs/dbraw/zinc/42/38/73/564423873.db2.gz XOLZTVSVXMRVRG-QGZVFWFLSA-N 2 1 380.330 2.580 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000453375057 564456099 /nfs/dbraw/zinc/45/60/99/564456099.db2.gz OVLRKAWOPWJRJP-GRDNDAEWSA-N 2 1 385.346 2.539 20 0 GFADMP Cc1ccc(NCCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)[nH+]c1 ZINC000572992371 564617948 /nfs/dbraw/zinc/61/79/48/564617948.db2.gz HXJFJWGNFOGFCB-CQSZACIVSA-N 2 1 384.307 3.528 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573920308 564659629 /nfs/dbraw/zinc/65/96/29/564659629.db2.gz KRLVUFNYGVXXAE-ZIAGYGMSSA-N 2 1 386.277 2.601 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2cccc(Br)c2)CC1 ZINC000522990480 564661527 /nfs/dbraw/zinc/66/15/27/564661527.db2.gz IFVNSSGWBBFOKH-UHFFFAOYSA-N 2 1 389.297 2.777 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000552227513 564682940 /nfs/dbraw/zinc/68/29/40/564682940.db2.gz AVIKOPBNZJQLKL-ZACQAIPSSA-N 2 1 385.599 2.741 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000552227513 564682945 /nfs/dbraw/zinc/68/29/45/564682945.db2.gz AVIKOPBNZJQLKL-ZACQAIPSSA-N 2 1 385.599 2.741 20 0 GFADMP O=C(C[NH2+]Cc1cnc(-c2ccsc2)s1)NCC[NH+]1CCCCCC1 ZINC000552277986 564684576 /nfs/dbraw/zinc/68/45/76/564684576.db2.gz PRQGKPIJFMBESC-UHFFFAOYSA-N 2 1 378.567 2.953 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584173257 564924228 /nfs/dbraw/zinc/92/42/28/564924228.db2.gz GADJOBBFBSJRMF-JKSUJKDBSA-N 2 1 394.357 2.729 20 0 GFADMP C[N@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000499960031 564941969 /nfs/dbraw/zinc/94/19/69/564941969.db2.gz ZQQVYOJCULBUDZ-MRXNPFEDSA-N 2 1 389.309 2.746 20 0 GFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)COc1cc(F)cc(Br)c1 ZINC000499960031 564941971 /nfs/dbraw/zinc/94/19/71/564941971.db2.gz ZQQVYOJCULBUDZ-MRXNPFEDSA-N 2 1 389.309 2.746 20 0 GFADMP O=C([C@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1)N1CC[NH2+]CC1 ZINC000470004564 565034415 /nfs/dbraw/zinc/03/44/15/565034415.db2.gz ZKQIUEKAKSOSFV-AWEZNQCLSA-N 2 1 376.551 2.515 20 0 GFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)Nc2ccc(Br)cc2)CC1 ZINC000562838213 565044525 /nfs/dbraw/zinc/04/45/25/565044525.db2.gz BTXUTPJLUQMYME-SJLPKXTDSA-N 2 1 396.329 2.606 20 0 GFADMP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000636035821 565086951 /nfs/dbraw/zinc/08/69/51/565086951.db2.gz VRMFZQOQBMWSPY-INIZCTEOSA-N 2 1 394.357 2.872 20 0 GFADMP C[N@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000636035821 565086955 /nfs/dbraw/zinc/08/69/55/565086955.db2.gz VRMFZQOQBMWSPY-INIZCTEOSA-N 2 1 394.357 2.872 20 0 GFADMP Brc1cnc2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184592 565187799 /nfs/dbraw/zinc/18/77/99/565187799.db2.gz YSDHNAWZSQETBD-SUMWQHHRSA-N 2 1 390.329 2.941 20 0 GFADMP [NH3+][C@@H]1CCc2ncc(NC(=O)c3sc4c(c3Br)C[NH2+]C4)cc2C1 ZINC000659303753 565211429 /nfs/dbraw/zinc/21/14/29/565211429.db2.gz VGEZTVVZFOJSHR-SECBINFHSA-N 2 1 393.310 2.577 20 0 GFADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000638857581 565215105 /nfs/dbraw/zinc/21/51/05/565215105.db2.gz CAHZXOLHPKHYIZ-UHFFFAOYSA-N 2 1 385.302 2.503 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000617505919 565242711 /nfs/dbraw/zinc/24/27/11/565242711.db2.gz VLZGTIHQAMYMQI-LBPRGKRZSA-N 2 1 377.863 2.943 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)ccc1OC(F)F ZINC000617505919 565242715 /nfs/dbraw/zinc/24/27/15/565242715.db2.gz VLZGTIHQAMYMQI-LBPRGKRZSA-N 2 1 377.863 2.943 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Cc1cc(Br)ccc1F ZINC000617506788 565244027 /nfs/dbraw/zinc/24/40/27/565244027.db2.gz ZCJMYVCUCBCWET-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Cc1cc(Br)ccc1F ZINC000617506788 565244033 /nfs/dbraw/zinc/24/40/33/565244033.db2.gz ZCJMYVCUCBCWET-ZDUSSCGKSA-N 2 1 388.325 2.519 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CCO2 ZINC000639697579 565255633 /nfs/dbraw/zinc/25/56/33/565255633.db2.gz CNIRWHQBVNUFDP-MRXNPFEDSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1cc(Cl)cc(Cl)c1)CCO2 ZINC000639697579 565255639 /nfs/dbraw/zinc/25/56/39/565255639.db2.gz CNIRWHQBVNUFDP-MRXNPFEDSA-N 2 1 389.323 2.530 20 0 GFADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286192 /nfs/dbraw/zinc/28/61/92/565286192.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286202 /nfs/dbraw/zinc/28/62/02/565286202.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286205 /nfs/dbraw/zinc/28/62/05/565286205.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C2 ZINC000660651809 565286210 /nfs/dbraw/zinc/28/62/10/565286210.db2.gz CKQZVEPYZCPRRJ-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295708 565358988 /nfs/dbraw/zinc/35/89/88/565358988.db2.gz WMFBHFZMQHXHHN-WBVHZDCISA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295708 565358990 /nfs/dbraw/zinc/35/89/90/565358990.db2.gz WMFBHFZMQHXHHN-WBVHZDCISA-N 2 1 380.330 2.687 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662336672 565362325 /nfs/dbraw/zinc/36/23/25/565362325.db2.gz HKFVBOQWNGOPJK-ZYHUDNBSSA-N 2 1 384.343 2.718 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662470069 565370146 /nfs/dbraw/zinc/37/01/46/565370146.db2.gz CBXLGOIYWGVKLF-NSHDSACASA-N 2 1 384.343 2.672 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468827 565370337 /nfs/dbraw/zinc/37/03/37/565370337.db2.gz UIMQKCFOTSTQME-PBHICJAKSA-N 2 1 380.330 2.926 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662522114 565375040 /nfs/dbraw/zinc/37/50/40/565375040.db2.gz KDGMFVJTWMVLOT-NEPJUHHUSA-N 2 1 398.370 2.966 20 0 GFADMP [NH3+]CCN(CCc1ccccc1)C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662562216 565377309 /nfs/dbraw/zinc/37/73/09/565377309.db2.gz HOJUGNFFMPLGJV-UHFFFAOYSA-N 2 1 394.338 2.757 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362913 565414933 /nfs/dbraw/zinc/41/49/33/565414933.db2.gz FNFWKPWMVJJSQG-HOTGVXAUSA-N 2 1 389.323 2.576 20 0 GFADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccncc3Br)CC2)CC1 ZINC000625325040 565618533 /nfs/dbraw/zinc/61/85/33/565618533.db2.gz FNNJZXUXEUPDIS-UHFFFAOYSA-N 2 1 381.362 2.694 20 0 GFADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(Br)cc2)C[C@H]1C ZINC000626040811 565672421 /nfs/dbraw/zinc/67/24/21/565672421.db2.gz MRWYDPBZAMKKNJ-KYJSFNMBSA-N 2 1 385.346 2.566 20 0 GFADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CCN(C)CC1 ZINC000626041127 565672450 /nfs/dbraw/zinc/67/24/50/565672450.db2.gz QYUSCUMHTGHXIF-RDJZCZTQSA-N 2 1 394.357 2.791 20 0 GFADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041127 565672455 /nfs/dbraw/zinc/67/24/55/565672455.db2.gz QYUSCUMHTGHXIF-RDJZCZTQSA-N 2 1 394.357 2.791 20 0 GFADMP C[C@H]1C[C@H](c2ccc(Br)cc2)C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000626041127 565672461 /nfs/dbraw/zinc/67/24/61/565672461.db2.gz QYUSCUMHTGHXIF-RDJZCZTQSA-N 2 1 394.357 2.791 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346632 565923478 /nfs/dbraw/zinc/92/34/78/565923478.db2.gz BVUMQKAWTZKKPD-LZWOXQAQSA-N 2 1 385.961 2.578 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccc(OCC[NH+]3CCCC3)cc2)[nH+]1 ZINC000737239907 598680093 /nfs/dbraw/zinc/68/00/93/598680093.db2.gz HJBIZPFSDIPKSC-UHFFFAOYSA-N 2 1 393.495 2.965 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000113512100 655211358 /nfs/dbraw/zinc/21/13/58/655211358.db2.gz QSQNEQOSYWHZCH-JSGCOSHPSA-N 2 1 391.737 2.726 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000113512100 655211361 /nfs/dbraw/zinc/21/13/61/655211361.db2.gz QSQNEQOSYWHZCH-JSGCOSHPSA-N 2 1 391.737 2.726 20 0 GFADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC[NH2+]C1 ZINC000120477436 655336813 /nfs/dbraw/zinc/33/68/13/655336813.db2.gz BHODSZNRCCGYOK-LJQANCHMSA-N 2 1 394.357 2.919 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)CSC(F)(F)F ZINC000365913459 655396522 /nfs/dbraw/zinc/39/65/22/655396522.db2.gz YVGDNUQRCWZSDR-UHFFFAOYSA-N 2 1 381.508 2.894 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764821 661185285 /nfs/dbraw/zinc/18/52/85/661185285.db2.gz AODZXJVJJJLDPN-FUHWJXTLSA-N 2 1 380.627 2.960 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccc(Br)o1 ZINC000750735582 655816720 /nfs/dbraw/zinc/81/67/20/655816720.db2.gz YXLYKOIWSDKMGE-TUPIDYKKSA-N 2 1 398.345 2.930 20 0 GFADMP C[NH+](C)Cc1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000769308287 656270048 /nfs/dbraw/zinc/27/00/48/656270048.db2.gz ONUOTHZWLFBHNU-UHFFFAOYSA-N 2 1 391.313 2.976 20 0 GFADMP C[NH+](C)Cc1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1 ZINC000769308287 656270053 /nfs/dbraw/zinc/27/00/53/656270053.db2.gz ONUOTHZWLFBHNU-UHFFFAOYSA-N 2 1 391.313 2.976 20 0 GFADMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C1 ZINC000866702619 662490861 /nfs/dbraw/zinc/49/08/61/662490861.db2.gz DCORJOXSCLQFEJ-SFHVURJKSA-N 2 1 393.329 2.654 20 0 GFADMP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1ncc(Br)c1C1CC1 ZINC000872631877 662781355 /nfs/dbraw/zinc/78/13/55/662781355.db2.gz LPXRKOHTALYCIC-UHFFFAOYSA-N 2 1 385.350 2.771 20 0 GFADMP COCC[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc(Br)c1C1CC1 ZINC000872631877 662781357 /nfs/dbraw/zinc/78/13/57/662781357.db2.gz LPXRKOHTALYCIC-UHFFFAOYSA-N 2 1 385.350 2.771 20 0 GFADMP CCOP(=O)(CCC[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)OCC ZINC000877526844 662878059 /nfs/dbraw/zinc/87/80/59/662878059.db2.gz VPHIKOIVFKENTD-GOSISDBHSA-N 2 1 375.494 2.743 20 0 GFADMP [NH3+][C@H]1C[C@H](CNC(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000891535035 663342789 /nfs/dbraw/zinc/34/27/89/663342789.db2.gz RZXZUYQONLYCGX-HDJSIYSDSA-N 2 1 385.339 2.994 20 0 GFADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911855082 664258941 /nfs/dbraw/zinc/25/89/41/664258941.db2.gz HBHSKXWBVPPCKD-PIGZYNQJSA-N 2 1 392.297 2.794 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC2)C1 ZINC000923321101 664628203 /nfs/dbraw/zinc/62/82/03/664628203.db2.gz KFQDFEJSZQVJCZ-ZDUSSCGKSA-N 2 1 381.318 2.637 20 0 GFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000923371589 664629107 /nfs/dbraw/zinc/62/91/07/664629107.db2.gz ZFQJITYYNQOIPI-FZMZJTMJSA-N 2 1 379.726 2.805 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923400261 664629868 /nfs/dbraw/zinc/62/98/68/664629868.db2.gz ABMNAGIVSRSEPO-BFHYXJOUSA-N 2 1 380.838 2.847 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000923400261 664629869 /nfs/dbraw/zinc/62/98/69/664629869.db2.gz ABMNAGIVSRSEPO-BFHYXJOUSA-N 2 1 380.838 2.847 20 0 GFADMP COc1cc2ccnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164683219 719625838 /nfs/dbraw/zinc/62/58/38/719625838.db2.gz RLCROVMUKOFRKR-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP COc1cc2ccnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c2cc1OC ZINC001164683219 719625846 /nfs/dbraw/zinc/62/58/46/719625846.db2.gz RLCROVMUKOFRKR-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ncccc2F)[C@@H]2CO[C@@]3(CC[NH2+]C3)C2)nc1)C1CC1 ZINC001164692511 719760632 /nfs/dbraw/zinc/76/06/32/719760632.db2.gz UPUANANYQZCMOS-AVRDEDQJSA-N 2 1 397.498 2.869 20 0 GFADMP c1cncc(CO[C@@H]2C[C@H]3CN(c4ncccc4C[NH+]4CCCC4)CC[N@H+]3C2)c1 ZINC001164879865 721184930 /nfs/dbraw/zinc/18/49/30/721184930.db2.gz UWFIIYRFECTUEM-FCHUYYIVSA-N 2 1 393.535 2.552 20 0 GFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@@H]2CCCO[C@H]12 ZINC001164798223 721567434 /nfs/dbraw/zinc/56/74/34/721567434.db2.gz AZUFHDNORWZSFY-XPNTWCBSSA-N 2 1 393.535 2.945 20 0 GFADMP Cc1cnc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C1C[NH2+]C1 ZINC001165023940 721832299 /nfs/dbraw/zinc/83/22/99/721832299.db2.gz IWEDEHBJGPLGAB-DZFGPLHGSA-N 2 1 392.551 2.604 20 0 GFADMP Cc1nccn1CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000130390534 551364082 /nfs/dbraw/zinc/36/40/82/551364082.db2.gz QBPFWZNYOCNTMW-UHFFFAOYSA-N 2 1 393.329 2.935 20 0 GFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)Cc1ccccc1Br ZINC000130390534 551364087 /nfs/dbraw/zinc/36/40/87/551364087.db2.gz QBPFWZNYOCNTMW-UHFFFAOYSA-N 2 1 393.329 2.935 20 0 GFADMP O[C@@H](COc1cc(Cl)ccc1Cl)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000151299092 551410830 /nfs/dbraw/zinc/41/08/30/551410830.db2.gz IEMGAEBFRYQSPN-MRXNPFEDSA-N 2 1 382.291 2.950 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000151376597 551412515 /nfs/dbraw/zinc/41/25/15/551412515.db2.gz GFPPDAGWRBPCQW-CQSZACIVSA-N 2 1 398.345 2.603 20 0 GFADMP O=C(CC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856480 552177225 /nfs/dbraw/zinc/17/72/25/552177225.db2.gz ICVSSWUAEDFFPX-UHFFFAOYSA-N 2 1 394.357 2.919 20 0 GFADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181686824 552265585 /nfs/dbraw/zinc/26/55/85/552265585.db2.gz QSGWZTUVCDVCLI-INIZCTEOSA-N 2 1 386.309 2.793 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188731990 552453992 /nfs/dbraw/zinc/45/39/92/552453992.db2.gz IMBUKVVKUGMSDA-HNNXBMFYSA-N 2 1 382.346 2.717 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2sccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000262103688 553166103 /nfs/dbraw/zinc/16/61/03/553166103.db2.gz JCYDFNBEKZGKPM-TZMCWYRMSA-N 2 1 386.359 2.591 20 0 GFADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc(Br)c1O ZINC000277713259 563221964 /nfs/dbraw/zinc/22/19/64/563221964.db2.gz IVBDBALVHTYWFI-CYBMUJFWSA-N 2 1 387.318 2.754 20 0 GFADMP COc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(Br)c1O ZINC000277713259 563221965 /nfs/dbraw/zinc/22/19/65/563221965.db2.gz IVBDBALVHTYWFI-CYBMUJFWSA-N 2 1 387.318 2.754 20 0 GFADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032569 563319841 /nfs/dbraw/zinc/31/98/41/563319841.db2.gz IFZFVIKEVGSMJZ-SNVBAGLBSA-N 2 1 378.325 2.553 20 0 GFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032569 563319843 /nfs/dbraw/zinc/31/98/43/563319843.db2.gz IFZFVIKEVGSMJZ-SNVBAGLBSA-N 2 1 378.325 2.553 20 0 GFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422958211 563351433 /nfs/dbraw/zinc/35/14/33/563351433.db2.gz XBUYMMWGHJXWGC-RDTXWAMCSA-N 2 1 390.325 2.727 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165758 563357787 /nfs/dbraw/zinc/35/77/87/563357787.db2.gz UVHDXTKIMWSKIM-KMFMINBZSA-N 2 1 385.346 2.729 20 0 GFADMP [NH3+]CCCOC1CC[NH+](Cc2nc(-c3cccc(Br)c3)no2)CC1 ZINC000391788783 563525589 /nfs/dbraw/zinc/52/55/89/563525589.db2.gz FOFAVSNVNPIQQP-UHFFFAOYSA-N 2 1 395.301 2.829 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000397318225 563531934 /nfs/dbraw/zinc/53/19/34/563531934.db2.gz MFEWTNODSWPCJJ-IIAWOOMASA-N 2 1 382.346 2.713 20 0 GFADMP C[C@@H]1C[C@@H](C)[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000397318225 563531935 /nfs/dbraw/zinc/53/19/35/563531935.db2.gz MFEWTNODSWPCJJ-IIAWOOMASA-N 2 1 382.346 2.713 20 0 GFADMP Cc1cc(Br)cn2c(C[NH2+]CCC[N@@H+]3CCCO[C@H](C)C3)cnc12 ZINC000432356113 563582258 /nfs/dbraw/zinc/58/22/58/563582258.db2.gz CCAGLCSXONGMRV-OAHLLOKOSA-N 2 1 395.345 2.996 20 0 GFADMP Cc1cc(Br)cn2c(C[NH2+]CCC[N@H+]3CCCO[C@H](C)C3)cnc12 ZINC000432356113 563582262 /nfs/dbraw/zinc/58/22/62/563582262.db2.gz CCAGLCSXONGMRV-OAHLLOKOSA-N 2 1 395.345 2.996 20 0 GFADMP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000332264048 563589028 /nfs/dbraw/zinc/58/90/28/563589028.db2.gz FJMHWJPBTZAHQY-GUYCJALGSA-N 2 1 395.345 2.545 20 0 GFADMP CC[C@@H](C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+](C)C ZINC000412976188 563678276 /nfs/dbraw/zinc/67/82/76/563678276.db2.gz VRQXKQKFDLRDSJ-KRWDZBQOSA-N 2 1 382.346 2.870 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cccc(Br)c2)C1 ZINC000414673667 563749253 /nfs/dbraw/zinc/74/92/53/563749253.db2.gz JEYBQTYFFMRHQT-PBHICJAKSA-N 2 1 380.330 2.783 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757172 563751452 /nfs/dbraw/zinc/75/14/52/563751452.db2.gz SASHIJBEORLQSN-CXAGYDPISA-N 2 1 398.320 2.922 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000414862774 563753726 /nfs/dbraw/zinc/75/37/26/563753726.db2.gz HWKKYQDDYKDQBN-MRXNPFEDSA-N 2 1 380.330 2.704 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000414928636 563754259 /nfs/dbraw/zinc/75/42/59/563754259.db2.gz NALRRBWBVTZVTL-UGSOOPFHSA-N 2 1 394.357 2.950 20 0 GFADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519412 564194241 /nfs/dbraw/zinc/19/42/41/564194241.db2.gz OJEFXCMWRFGJQU-HOCLYGCPSA-N 2 1 397.313 2.896 20 0 GFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000507364669 564227224 /nfs/dbraw/zinc/22/72/24/564227224.db2.gz WQVKJMBWYIRMHH-QGZVFWFLSA-N 2 1 385.346 2.993 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)c1)OCC2 ZINC000564988723 564261351 /nfs/dbraw/zinc/26/13/51/564261351.db2.gz OQAGSEPXIYSITN-ZACQAIPSSA-N 2 1 381.314 2.631 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(Br)cc32)C1 ZINC000510656121 564342147 /nfs/dbraw/zinc/34/21/47/564342147.db2.gz KPYMZLZDVQYCNK-RHSMWYFYSA-N 2 1 380.330 2.613 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(I)cc2)[C@H](C)C1 ZINC000511053828 564354892 /nfs/dbraw/zinc/35/48/92/564354892.db2.gz ZNJRDXJDAWZIQQ-CZUORRHYSA-N 2 1 388.293 2.990 20 0 GFADMP COc1ccc(Br)c(C(=O)NCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000477861462 564389997 /nfs/dbraw/zinc/38/99/97/564389997.db2.gz NLMTVOSHKLUFPF-SUMWQHHRSA-N 2 1 398.345 2.507 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000453346463 564454194 /nfs/dbraw/zinc/45/41/94/564454194.db2.gz FKSCMFKNOSVHBN-YRBFXIGRSA-N 2 1 399.373 2.927 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000453375065 564455921 /nfs/dbraw/zinc/45/59/21/564455921.db2.gz OVLRKAWOPWJRJP-ZQIUZPCESA-N 2 1 385.346 2.539 20 0 GFADMP CN(CCC[N@@H+](C)Cc1ccc(I)cc1)CC[NH+](C)C ZINC000570005704 564486939 /nfs/dbraw/zinc/48/69/39/564486939.db2.gz VUJSLXDEBFBWMT-UHFFFAOYSA-N 2 1 389.325 2.607 20 0 GFADMP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548060 564545722 /nfs/dbraw/zinc/54/57/22/564545722.db2.gz LXLYDVXFQHJWNH-GXTWGEPZSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548060 564545727 /nfs/dbraw/zinc/54/57/27/564545727.db2.gz LXLYDVXFQHJWNH-GXTWGEPZSA-N 2 1 386.309 2.826 20 0 GFADMP CC[C@@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000548933097 564581347 /nfs/dbraw/zinc/58/13/47/564581347.db2.gz NETBSNRHFOJFMZ-MRXNPFEDSA-N 2 1 394.357 2.750 20 0 GFADMP CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000548933097 564581350 /nfs/dbraw/zinc/58/13/50/564581350.db2.gz NETBSNRHFOJFMZ-MRXNPFEDSA-N 2 1 394.357 2.750 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000572274734 564587890 /nfs/dbraw/zinc/58/78/90/564587890.db2.gz LYNOJJDUEZNLJX-CZUORRHYSA-N 2 1 382.302 2.620 20 0 GFADMP Cc1cc(C(C)(C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000519729777 564588957 /nfs/dbraw/zinc/58/89/57/564588957.db2.gz WXDPNWOGMNSJOD-UHFFFAOYSA-N 2 1 382.346 2.746 20 0 GFADMP CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000552320802 564686284 /nfs/dbraw/zinc/68/62/84/564686284.db2.gz GJWZWWQAGNGDCD-UHFFFAOYSA-N 2 1 394.368 2.736 20 0 GFADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(I)c1OC ZINC000491545857 564792810 /nfs/dbraw/zinc/79/28/10/564792810.db2.gz LIQVTOPWZZEQRW-NSHDSACASA-N 2 1 392.281 2.596 20 0 GFADMP Brc1csc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000582063186 564829298 /nfs/dbraw/zinc/82/92/98/564829298.db2.gz TUVZAKNQOQIJMA-PHIMTYICSA-N 2 1 383.315 2.992 20 0 GFADMP C[NH+](C)C[C@H](NC(=O)N1CC[NH2+]C[C@@](C)(F)C1)c1ccc(Cl)c(Cl)c1 ZINC000529387965 564832912 /nfs/dbraw/zinc/83/29/12/564832912.db2.gz RDYXOQPQPZOFDL-DOTOQJQBSA-N 2 1 391.318 2.939 20 0 GFADMP O=C(C[NH2+]Cc1cnc(-c2cccs2)s1)NCC[NH+]1CCCCCC1 ZINC000556892439 564844646 /nfs/dbraw/zinc/84/46/46/564844646.db2.gz MMURZXDRBWNCGY-UHFFFAOYSA-N 2 1 378.567 2.953 20 0 GFADMP COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(Br)c1O ZINC000530248305 564872603 /nfs/dbraw/zinc/87/26/03/564872603.db2.gz IMZUJLHGGAYQED-OAHLLOKOSA-N 2 1 399.329 2.754 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(Br)s1 ZINC000583111057 564876397 /nfs/dbraw/zinc/87/63/97/564876397.db2.gz GABABVPXWFLGLH-CYBMUJFWSA-N 2 1 375.380 2.754 20 0 GFADMP C[N@@H+](CCc1cccc(Br)c1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000463418183 564880610 /nfs/dbraw/zinc/88/06/10/564880610.db2.gz QSQAOOLKBDQUPH-UHFFFAOYSA-N 2 1 394.357 2.666 20 0 GFADMP Cc1ccc(C[N@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038048 564889957 /nfs/dbraw/zinc/88/99/57/564889957.db2.gz QINAIEQUWWMSTC-IAGOWNOFSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C(=O)[C@@H](C)[NH+]3CCSCC3)C2)s1 ZINC000558038048 564889960 /nfs/dbraw/zinc/88/99/60/564889960.db2.gz QINAIEQUWWMSTC-IAGOWNOFSA-N 2 1 381.611 2.774 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1F ZINC000560030003 564945396 /nfs/dbraw/zinc/94/53/96/564945396.db2.gz ZXZGTFHRMBBOQO-OAHLLOKOSA-N 2 1 391.940 2.516 20 0 GFADMP COc1nsc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1Br ZINC000638681982 565207282 /nfs/dbraw/zinc/20/72/82/565207282.db2.gz QTDHOKKUMRBTPZ-TXEJJXNPSA-N 2 1 392.363 2.893 20 0 GFADMP C[N@H+]1CC[C@]2(C1)CCCN([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661773 565288315 /nfs/dbraw/zinc/28/83/15/565288315.db2.gz GHLKXGMWBDSPAM-HKUYNNGSSA-N 2 1 392.341 2.972 20 0 GFADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662153741 565353229 /nfs/dbraw/zinc/35/32/29/565353229.db2.gz UEKJJRBVWDFQKK-OAHLLOKOSA-N 2 1 386.323 2.853 20 0 GFADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662153741 565353234 /nfs/dbraw/zinc/35/32/34/565353234.db2.gz UEKJJRBVWDFQKK-OAHLLOKOSA-N 2 1 386.323 2.853 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662473423 565370922 /nfs/dbraw/zinc/37/09/22/565370922.db2.gz IXVNNPBKIMVDRM-KRWDZBQOSA-N 2 1 380.330 2.783 20 0 GFADMP [NH3+][C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)c1ccccc1Br ZINC000662490244 565371226 /nfs/dbraw/zinc/37/12/26/565371226.db2.gz AVGVEJMHBKIJGH-KRWDZBQOSA-N 2 1 380.330 2.972 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523348 565374439 /nfs/dbraw/zinc/37/44/39/565374439.db2.gz PWQPZVXDMVBIES-CPUCHLNUSA-N 2 1 380.330 2.687 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662590839 565378556 /nfs/dbraw/zinc/37/85/56/565378556.db2.gz OVYXLZIABZXMBP-LBPRGKRZSA-N 2 1 398.370 2.966 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2ccc(Br)cc21 ZINC000665757176 565510984 /nfs/dbraw/zinc/51/09/84/565510984.db2.gz AKAQSRHWLNPQOD-AWEZNQCLSA-N 2 1 397.361 2.793 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N1CCc2ccc(Br)cc21 ZINC000665757176 565510990 /nfs/dbraw/zinc/51/09/90/565510990.db2.gz AKAQSRHWLNPQOD-AWEZNQCLSA-N 2 1 397.361 2.793 20 0 GFADMP Cc1c(Br)cncc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000668159393 565629312 /nfs/dbraw/zinc/62/93/12/565629312.db2.gz VCHAHHOIGQSACE-UHFFFAOYSA-N 2 1 381.362 2.612 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649411767 565761088 /nfs/dbraw/zinc/76/10/88/565761088.db2.gz AAQXQAZMBCYHAM-HUUCEWRRSA-N 2 1 395.345 2.884 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708167 565832562 /nfs/dbraw/zinc/83/25/62/565832562.db2.gz UQUJKPWKQURIMA-DUVNUKRYSA-N 2 1 399.329 2.882 20 0 GFADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000629570866 565860400 /nfs/dbraw/zinc/86/04/00/565860400.db2.gz GKNNOFZQACXSDF-QGZVFWFLSA-N 2 1 388.339 2.825 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCC[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000629570866 565860403 /nfs/dbraw/zinc/86/04/03/565860403.db2.gz GKNNOFZQACXSDF-QGZVFWFLSA-N 2 1 388.339 2.825 20 0 GFADMP Cc1cc(Br)ccc1[C@@H]1CCC[N@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000629581122 565860504 /nfs/dbraw/zinc/86/05/04/565860504.db2.gz NRJBEFJFVKFWMX-KRWDZBQOSA-N 2 1 380.330 2.716 20 0 GFADMP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000826521748 608136001 /nfs/dbraw/zinc/13/60/01/608136001.db2.gz XOWZYISUVOZTKL-JQHSSLGASA-N 2 1 380.521 2.928 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825860884 608698726 /nfs/dbraw/zinc/69/87/26/608698726.db2.gz ZXZZEUUDVIVNKP-LJQANCHMSA-N 2 1 392.507 2.829 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000825860884 608698728 /nfs/dbraw/zinc/69/87/28/608698728.db2.gz ZXZZEUUDVIVNKP-LJQANCHMSA-N 2 1 392.507 2.829 20 0 GFADMP c1cc(-c2nn[nH]n2)oc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000826521165 608747142 /nfs/dbraw/zinc/74/71/42/608747142.db2.gz CDFVFHWULFIYBZ-UHFFFAOYSA-N 2 1 378.480 2.948 20 0 GFADMP c1cc(-c2nn[nH]n2)oc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000826521165 608747144 /nfs/dbraw/zinc/74/71/44/608747144.db2.gz CDFVFHWULFIYBZ-UHFFFAOYSA-N 2 1 378.480 2.948 20 0 GFADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946591 660212496 /nfs/dbraw/zinc/21/24/96/660212496.db2.gz AEHFENOGIFSADK-SCRDCRAPSA-N 2 1 376.469 2.730 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[NH+](CCCCO)CC3)c2cc1Br ZINC000819919611 660274987 /nfs/dbraw/zinc/27/49/87/660274987.db2.gz PTEKHHRQIZIPFN-UHFFFAOYSA-N 2 1 394.313 2.900 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000822835597 660355562 /nfs/dbraw/zinc/35/55/62/660355562.db2.gz UYOOQPHYZKMOEW-NSHDSACASA-N 2 1 376.332 2.969 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000822835597 660355563 /nfs/dbraw/zinc/35/55/63/660355563.db2.gz UYOOQPHYZKMOEW-NSHDSACASA-N 2 1 376.332 2.969 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000175727501 655226359 /nfs/dbraw/zinc/22/63/59/655226359.db2.gz OTNXAPQRSAUNLS-HFTRVMKXSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000175727501 655226362 /nfs/dbraw/zinc/22/63/62/655226362.db2.gz OTNXAPQRSAUNLS-HFTRVMKXSA-N 2 1 385.346 2.851 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccc(Br)cc2)[C@H](C)C1 ZINC000175727501 655226364 /nfs/dbraw/zinc/22/63/64/655226364.db2.gz OTNXAPQRSAUNLS-HFTRVMKXSA-N 2 1 385.346 2.851 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 ZINC000855346220 661987391 /nfs/dbraw/zinc/98/73/91/661987391.db2.gz RZEZDRCTEQZTNU-GUYCJALGSA-N 2 1 390.355 2.805 20 0 GFADMP Cc1c(Br)cccc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000855346664 661987452 /nfs/dbraw/zinc/98/74/52/661987452.db2.gz IOWVTWUGSXVKEF-AWEZNQCLSA-N 2 1 384.362 2.688 20 0 GFADMP Cc1cc(Br)cn2c(CNc3cc4n(n3)CC[N@H+](C)C4)cnc12 ZINC000865844940 662447015 /nfs/dbraw/zinc/44/70/15/662447015.db2.gz KLXNYPVGEPYWEZ-UHFFFAOYSA-N 2 1 375.274 2.659 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147757 662756681 /nfs/dbraw/zinc/75/66/81/662756681.db2.gz DKMDWAVNIBSONG-PWSUYJOCSA-N 2 1 379.810 2.746 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000872147757 662756682 /nfs/dbraw/zinc/75/66/82/662756682.db2.gz DKMDWAVNIBSONG-PWSUYJOCSA-N 2 1 379.810 2.746 20 0 GFADMP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000879033891 662914124 /nfs/dbraw/zinc/91/41/24/662914124.db2.gz SOKFUQHOZNJRMZ-SNVBAGLBSA-N 2 1 390.272 2.588 20 0 GFADMP Cc1[nH+]ccc(N2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)c1Br ZINC000892431771 663373558 /nfs/dbraw/zinc/37/35/58/663373558.db2.gz DJQBHRQKJWSQGX-UHFFFAOYSA-N 2 1 395.345 2.533 20 0 GFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(Br)cc2NC(C)=O)CC1 ZINC000892801672 663385088 /nfs/dbraw/zinc/38/50/88/663385088.db2.gz PQNYQSSAAQEJNY-UHFFFAOYSA-N 2 1 398.345 2.998 20 0 GFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2I)C1 ZINC000894179839 663447151 /nfs/dbraw/zinc/44/71/51/663447151.db2.gz HHCDEKMFVHVGJK-CYBMUJFWSA-N 2 1 390.313 2.626 20 0 GFADMP FC(F)(F)c1nnc(N2CCC[N@@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)s1 ZINC000903913944 663811198 /nfs/dbraw/zinc/81/11/98/663811198.db2.gz GEQJKSFOJWFTIC-YHWZYXNKSA-N 2 1 375.464 2.600 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[NH2+]CCO[C@H]3C2)n1 ZINC001164389897 718824385 /nfs/dbraw/zinc/82/43/85/718824385.db2.gz KRFVFIKWMMYACR-HOTGVXAUSA-N 2 1 389.569 2.717 20 0 GFADMP c1ccc(C[N@H+]2C[C@@H]3CCCN(c4ccc(N5CC[NH2+]CC5)cn4)[C@@H]3C2)cc1 ZINC001164631480 719090136 /nfs/dbraw/zinc/09/01/36/719090136.db2.gz YHXGRDLRMSEOGD-RBBKRZOGSA-N 2 1 377.536 2.592 20 0 GFADMP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817870 720162981 /nfs/dbraw/zinc/16/29/81/720162981.db2.gz QPYMZPDFQHDFJB-DENIHFKCSA-N 2 1 385.556 2.652 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817870 720162984 /nfs/dbraw/zinc/16/29/84/720162984.db2.gz QPYMZPDFQHDFJB-DENIHFKCSA-N 2 1 385.556 2.652 20 0 GFADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873534 721159403 /nfs/dbraw/zinc/15/94/03/721159403.db2.gz INHIJPPKBYLYEU-YADHBBJMSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873534 721159406 /nfs/dbraw/zinc/15/94/06/721159406.db2.gz INHIJPPKBYLYEU-YADHBBJMSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1)C1CC1 ZINC001164873534 721159414 /nfs/dbraw/zinc/15/94/14/721159414.db2.gz INHIJPPKBYLYEU-YADHBBJMSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000174762474 552109979 /nfs/dbraw/zinc/10/99/79/552109979.db2.gz SHVXDRFLXOKKSO-KRWDZBQOSA-N 2 1 388.339 2.604 20 0 GFADMP C[NH+](C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000174762474 552109982 /nfs/dbraw/zinc/10/99/82/552109982.db2.gz SHVXDRFLXOKKSO-KRWDZBQOSA-N 2 1 388.339 2.604 20 0 GFADMP C[C@H](O)CC[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)CC[C@H](C)O ZINC000248846501 553135715 /nfs/dbraw/zinc/13/57/15/553135715.db2.gz AUJKOYUYRVSDBO-GJZGRUSLSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@H](O)CC[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)CC[C@H](C)O ZINC000248846501 553135718 /nfs/dbraw/zinc/13/57/18/553135718.db2.gz AUJKOYUYRVSDBO-GJZGRUSLSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@H](O)CC[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)CC[C@H](C)O ZINC000248846501 553135720 /nfs/dbraw/zinc/13/57/20/553135720.db2.gz AUJKOYUYRVSDBO-GJZGRUSLSA-N 2 1 387.362 2.855 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684266 553155714 /nfs/dbraw/zinc/15/57/14/553155714.db2.gz NABIKDPJOLWUFG-YJBOKZPZSA-N 2 1 394.357 2.838 20 0 GFADMP C[C@H](C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034353 553164853 /nfs/dbraw/zinc/16/48/53/553164853.db2.gz OJFRIODNRLYNDG-RHSMWYFYSA-N 2 1 382.346 2.872 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262365610 553169902 /nfs/dbraw/zinc/16/99/02/553169902.db2.gz WWNDKZXBSXTFFY-GXTWGEPZSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1)[C@H]1CCC[NH2+]1 ZINC000262365610 553169905 /nfs/dbraw/zinc/16/99/05/553169905.db2.gz WWNDKZXBSXTFFY-GXTWGEPZSA-N 2 1 386.359 2.591 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408940 563262760 /nfs/dbraw/zinc/26/27/60/563262760.db2.gz QDMCCJQEQJEFDZ-IJEWVQPXSA-N 2 1 382.346 2.713 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420408940 563262763 /nfs/dbraw/zinc/26/27/63/563262763.db2.gz QDMCCJQEQJEFDZ-IJEWVQPXSA-N 2 1 382.346 2.713 20 0 GFADMP CC(C)[C@H](C[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1)[NH+]1CCCC1 ZINC000371986072 563292617 /nfs/dbraw/zinc/29/26/17/563292617.db2.gz XKXPHAWRRGIGFD-KRWDZBQOSA-N 2 1 385.599 2.611 20 0 GFADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032565 563319581 /nfs/dbraw/zinc/31/95/81/563319581.db2.gz IFZFVIKEVGSMJZ-JTQLQIEISA-N 2 1 378.325 2.553 20 0 GFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280032565 563319583 /nfs/dbraw/zinc/31/95/83/563319583.db2.gz IFZFVIKEVGSMJZ-JTQLQIEISA-N 2 1 378.325 2.553 20 0 GFADMP C[C@@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Br)cc1 ZINC000403006702 563536109 /nfs/dbraw/zinc/53/61/09/563536109.db2.gz RIWMNLNJRFYIGY-XUWXXGDYSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccc(Br)cc1 ZINC000403006702 563536113 /nfs/dbraw/zinc/53/61/13/563536113.db2.gz RIWMNLNJRFYIGY-XUWXXGDYSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@H](c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637938 563546588 /nfs/dbraw/zinc/54/65/88/563546588.db2.gz DSVKLVSPPXVDHO-GDBMZVCRSA-N 2 1 380.330 2.654 20 0 GFADMP Cc1cc(Br)cn2c(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cnc12 ZINC000432356112 563582014 /nfs/dbraw/zinc/58/20/14/563582014.db2.gz CCAGLCSXONGMRV-HNNXBMFYSA-N 2 1 395.345 2.996 20 0 GFADMP Cc1cc(Br)cn2c(C[NH2+]CCC[N@H+]3CCCO[C@@H](C)C3)cnc12 ZINC000432356112 563582016 /nfs/dbraw/zinc/58/20/16/563582016.db2.gz CCAGLCSXONGMRV-HNNXBMFYSA-N 2 1 395.345 2.996 20 0 GFADMP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332266993 563589090 /nfs/dbraw/zinc/58/90/90/563589090.db2.gz HYYXKKRFCZTCRL-SJCJKPOMSA-N 2 1 385.339 2.946 20 0 GFADMP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412974025 563678299 /nfs/dbraw/zinc/67/82/99/563678299.db2.gz RQAIMGYIHNOZEE-QGZVFWFLSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412974025 563678302 /nfs/dbraw/zinc/67/83/02/563678302.db2.gz RQAIMGYIHNOZEE-QGZVFWFLSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@@H+](Cc1ccc(S(C)(=O)=O)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414439226 563737423 /nfs/dbraw/zinc/73/74/23/563737423.db2.gz WPRCYOQUVQOGMX-UHFFFAOYSA-N 2 1 379.551 2.895 20 0 GFADMP C[N@H+](Cc1ccc(S(C)(=O)=O)s1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414439226 563737425 /nfs/dbraw/zinc/73/74/25/563737425.db2.gz WPRCYOQUVQOGMX-UHFFFAOYSA-N 2 1 379.551 2.895 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414962561 563755593 /nfs/dbraw/zinc/75/55/93/563755593.db2.gz ZTTLZAPLMGQUCO-HIFRSBDPSA-N 2 1 399.329 2.930 20 0 GFADMP [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C(F)(F)F ZINC000415997222 563801867 /nfs/dbraw/zinc/80/18/67/563801867.db2.gz RBPRTBPJOFFQJK-JSGCOSHPSA-N 2 1 378.464 2.539 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1cccs1 ZINC000416017229 563802444 /nfs/dbraw/zinc/80/24/44/563802444.db2.gz XXDVFPUVLFZAHW-XBFCOCLRSA-N 2 1 378.464 2.710 20 0 GFADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767402 563855055 /nfs/dbraw/zinc/85/50/55/563855055.db2.gz LMARCDUPVZVADO-BEFAXECRSA-N 2 1 386.367 2.986 20 0 GFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767402 563855059 /nfs/dbraw/zinc/85/50/59/563855059.db2.gz LMARCDUPVZVADO-BEFAXECRSA-N 2 1 386.367 2.986 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886429 563858430 /nfs/dbraw/zinc/85/84/30/563858430.db2.gz OPEPUTLTXSOYKS-DJIMGWMZSA-N 2 1 385.350 2.515 20 0 GFADMP Cc1c([C@@H](C)[NH2+]CCOCC[NH+](C)C)nnn1-c1cccc(Br)c1 ZINC000447597473 563883591 /nfs/dbraw/zinc/88/35/91/563883591.db2.gz GEYCQNKTVRQQFD-CYBMUJFWSA-N 2 1 396.333 2.567 20 0 GFADMP C[N@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418168464 563900353 /nfs/dbraw/zinc/90/03/53/563900353.db2.gz MARGMIIILHFELL-AWEZNQCLSA-N 2 1 380.842 2.913 20 0 GFADMP C[N@@H+](CCC(F)(F)F)[C@@H](CNC(=O)NCCC[NH3+])c1ccc(Cl)cc1 ZINC000418168464 563900354 /nfs/dbraw/zinc/90/03/54/563900354.db2.gz MARGMIIILHFELL-AWEZNQCLSA-N 2 1 380.842 2.913 20 0 GFADMP CN(CC[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418179105 563900756 /nfs/dbraw/zinc/90/07/56/563900756.db2.gz ZDGGKVHQUWIFCC-AWEZNQCLSA-N 2 1 380.842 2.865 20 0 GFADMP CN(CC[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418179105 563900757 /nfs/dbraw/zinc/90/07/57/563900757.db2.gz ZDGGKVHQUWIFCC-AWEZNQCLSA-N 2 1 380.842 2.865 20 0 GFADMP CN(CC[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418179107 563900761 /nfs/dbraw/zinc/90/07/61/563900761.db2.gz ZDGGKVHQUWIFCC-CQSZACIVSA-N 2 1 380.842 2.865 20 0 GFADMP CN(CC[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418179107 563900762 /nfs/dbraw/zinc/90/07/62/563900762.db2.gz ZDGGKVHQUWIFCC-CQSZACIVSA-N 2 1 380.842 2.865 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@@H](C)C1 ZINC000449597167 564191319 /nfs/dbraw/zinc/19/13/19/564191319.db2.gz DFMAITUSRKIQTN-ZVZYQTTQSA-N 2 1 399.373 2.929 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2ccc(C)c(Br)c2)CC1 ZINC000449601381 564192243 /nfs/dbraw/zinc/19/22/43/564192243.db2.gz RJDUHPKIMBDILK-QGZVFWFLSA-N 2 1 399.373 2.609 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@H](CO)Cc2cccc(Br)c2C)CC1 ZINC000449686354 564197043 /nfs/dbraw/zinc/19/70/43/564197043.db2.gz WEHFWZSKGJZLAJ-MRXNPFEDSA-N 2 1 399.373 2.609 20 0 GFADMP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000565445118 564281143 /nfs/dbraw/zinc/28/11/43/564281143.db2.gz QBWQTKZGRNWNOZ-OAHLLOKOSA-N 2 1 399.377 2.591 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCc3c(Br)cccc32)CC1 ZINC000543081844 564337604 /nfs/dbraw/zinc/33/76/04/564337604.db2.gz OBLVWNMOBLCEHL-KRWDZBQOSA-N 2 1 380.330 2.580 20 0 GFADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894677 564395669 /nfs/dbraw/zinc/39/56/69/564395669.db2.gz NLQWBBWUJOYTMI-QWHCGFSZSA-N 2 1 384.293 2.848 20 0 GFADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894677 564395671 /nfs/dbraw/zinc/39/56/71/564395671.db2.gz NLQWBBWUJOYTMI-QWHCGFSZSA-N 2 1 384.293 2.848 20 0 GFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cncc(Br)c2)c2cccs2)CC1 ZINC000545928178 564438694 /nfs/dbraw/zinc/43/86/94/564438694.db2.gz SWJMRKZNRHKLNJ-INIZCTEOSA-N 2 1 395.370 2.984 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Br ZINC000453387118 564456289 /nfs/dbraw/zinc/45/62/89/564456289.db2.gz WBTCXEXDUNJOIN-KBMXLJTQSA-N 2 1 385.346 2.681 20 0 GFADMP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccccc3Cl)cs2)C1 ZINC000569364027 564461085 /nfs/dbraw/zinc/46/10/85/564461085.db2.gz WZPVTAMQCCGJNF-CYBMUJFWSA-N 2 1 378.929 2.750 20 0 GFADMP CC[C@H]1Cc2c(Br)cccc2C[N@@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000548933096 564581318 /nfs/dbraw/zinc/58/13/18/564581318.db2.gz NETBSNRHFOJFMZ-INIZCTEOSA-N 2 1 394.357 2.750 20 0 GFADMP CC[C@H]1Cc2c(Br)cccc2C[N@H+]1CCC(=O)N1CC[NH+](C)CC1 ZINC000548933096 564581319 /nfs/dbraw/zinc/58/13/19/564581319.db2.gz NETBSNRHFOJFMZ-INIZCTEOSA-N 2 1 394.357 2.750 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@H](C)C1 ZINC000552089561 564676671 /nfs/dbraw/zinc/67/66/71/564676671.db2.gz NMUSBVCVLYBRCN-TZMCWYRMSA-N 2 1 394.368 2.592 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)[C@@H](C)C1 ZINC000552089559 564676773 /nfs/dbraw/zinc/67/67/73/564676773.db2.gz NMUSBVCVLYBRCN-JSGCOSHPSA-N 2 1 394.368 2.592 20 0 GFADMP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)NCC[N@@H+](C)C1CC1 ZINC000491856579 564796151 /nfs/dbraw/zinc/79/61/51/564796151.db2.gz GUTSVNMAQSJECF-UHFFFAOYSA-N 2 1 397.361 2.617 20 0 GFADMP [NH3+][C@@H](CC(F)F)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000498200901 564891667 /nfs/dbraw/zinc/89/16/67/564891667.db2.gz LBMGUDYNUULMBL-AWEZNQCLSA-N 2 1 390.272 2.512 20 0 GFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401378 564962872 /nfs/dbraw/zinc/96/28/72/564962872.db2.gz ZDBIAHYALJRZDI-MSOLQXFVSA-N 2 1 383.330 2.573 20 0 GFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2cccc(Br)c2)C2CCOCC2)C1 ZINC000467401378 564962875 /nfs/dbraw/zinc/96/28/75/564962875.db2.gz ZDBIAHYALJRZDI-MSOLQXFVSA-N 2 1 383.330 2.573 20 0 GFADMP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CCC1 ZINC000584408847 565079215 /nfs/dbraw/zinc/07/92/15/565079215.db2.gz HLMBWACOMCFWAO-QGZVFWFLSA-N 2 1 380.330 2.657 20 0 GFADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000657870771 565134610 /nfs/dbraw/zinc/13/46/10/565134610.db2.gz QFDVWUHNCPAWST-QGZVFWFLSA-N 2 1 382.346 2.524 20 0 GFADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313019 565211503 /nfs/dbraw/zinc/21/15/03/565211503.db2.gz BZXWFSWXYLIBRQ-JQWIXIFHSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313019 565211507 /nfs/dbraw/zinc/21/15/07/565211507.db2.gz BZXWFSWXYLIBRQ-JQWIXIFHSA-N 2 1 384.343 2.670 20 0 GFADMP [NH3+]Cc1ccc2c(c1)N(C(=O)c1sc3c(c1Br)C[NH2+]C3)CCO2 ZINC000638808649 565212039 /nfs/dbraw/zinc/21/20/39/565212039.db2.gz YSEMUEMZWGNAAQ-UHFFFAOYSA-N 2 1 394.294 2.612 20 0 GFADMP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286579 565359001 /nfs/dbraw/zinc/35/90/01/565359001.db2.gz QVCUQPREZNFRSB-MAZHCROVSA-N 2 1 384.318 2.571 20 0 GFADMP COc1ncc(Br)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286579 565359003 /nfs/dbraw/zinc/35/90/03/565359003.db2.gz QVCUQPREZNFRSB-MAZHCROVSA-N 2 1 384.318 2.571 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321198 565360716 /nfs/dbraw/zinc/36/07/16/565360716.db2.gz ZHAVIPXFEKTWCS-HZPDHXFCSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CCO1 ZINC000662321198 565360720 /nfs/dbraw/zinc/36/07/20/565360720.db2.gz ZHAVIPXFEKTWCS-HZPDHXFCSA-N 2 1 391.339 2.776 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1Br ZINC000662468831 565370058 /nfs/dbraw/zinc/37/00/58/565370058.db2.gz UIMQKCFOTSTQME-YOEHRIQHSA-N 2 1 380.330 2.926 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1Br ZINC000662534945 565374880 /nfs/dbraw/zinc/37/48/80/565374880.db2.gz HHMHBFJLSATOOI-NSHDSACASA-N 2 1 392.301 2.563 20 0 GFADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662579094 565378468 /nfs/dbraw/zinc/37/84/68/565378468.db2.gz ZDADSODZVPTARI-JKSUJKDBSA-N 2 1 380.330 2.686 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)cc1Br ZINC000662796634 565384574 /nfs/dbraw/zinc/38/45/74/565384574.db2.gz PAXIWAKXBSUSES-CQSZACIVSA-N 2 1 394.235 2.991 20 0 GFADMP C[N@H+]1CCC[C@@H]2CN(C(=O)[C@@](C)([NH3+])c3ccc(Br)cc3)CC[C@@H]21 ZINC000646249008 565591625 /nfs/dbraw/zinc/59/16/25/565591625.db2.gz BFEFFCAOOQGAOQ-SKDZVZGDSA-N 2 1 380.330 2.566 20 0 GFADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1O ZINC000650707365 565832737 /nfs/dbraw/zinc/83/27/37/565832737.db2.gz DQHRPTAXRZFISI-RVSPLBMKSA-N 2 1 399.329 2.882 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361695 565923998 /nfs/dbraw/zinc/92/39/98/565923998.db2.gz MQBKAFNWIBRWGK-FVQBIDKESA-N 2 1 385.961 2.721 20 0 GFADMP COc1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(F)cc1Br ZINC000631064499 565937096 /nfs/dbraw/zinc/93/70/96/565937096.db2.gz NSQYYSBRRDSRIQ-UHFFFAOYSA-N 2 1 388.325 2.714 20 0 GFADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(Br)c1 ZINC000677215361 565964494 /nfs/dbraw/zinc/96/44/94/565964494.db2.gz UZFUENDVOUXHNN-UHFFFAOYSA-N 2 1 399.377 2.511 20 0 GFADMP Cc1ccc(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c(Br)c1 ZINC000677215361 565964498 /nfs/dbraw/zinc/96/44/98/565964498.db2.gz UZFUENDVOUXHNN-UHFFFAOYSA-N 2 1 399.377 2.511 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH+]1 ZINC000737240060 598674464 /nfs/dbraw/zinc/67/44/64/598674464.db2.gz HQDUCTGVVLVCMC-SFHVURJKSA-N 2 1 377.496 2.855 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH+]1 ZINC000737240060 598674466 /nfs/dbraw/zinc/67/44/66/598674466.db2.gz HQDUCTGVVLVCMC-SFHVURJKSA-N 2 1 377.496 2.855 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265333 660252715 /nfs/dbraw/zinc/25/27/15/660252715.db2.gz NHFPKICHAMZFSK-SUMWQHHRSA-N 2 1 389.309 2.712 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C1(Br)CC1 ZINC000820662694 660301996 /nfs/dbraw/zinc/30/19/96/660301996.db2.gz SZBIYPMMSKJACQ-UHFFFAOYSA-N 2 1 386.378 2.569 20 0 GFADMP Cc1cnc(CC[NH+](C)CCOCC[N@H+](C)CCc2ncc(C)s2)s1 ZINC000270176609 655036212 /nfs/dbraw/zinc/03/62/12/655036212.db2.gz UXPVQVQNWRSVGA-UHFFFAOYSA-N 2 1 382.599 2.882 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)nc(C(F)(F)F)c1 ZINC000855346312 661987321 /nfs/dbraw/zinc/98/73/21/661987321.db2.gz WBCLDQDSLIIQES-NSHDSACASA-N 2 1 380.842 2.756 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@H]1C(F)(F)F ZINC000872152204 662757042 /nfs/dbraw/zinc/75/70/42/662757042.db2.gz OYYFSJPZKBUTPM-ZWNOBZJWSA-N 2 1 394.235 2.847 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979315 662869102 /nfs/dbraw/zinc/86/91/02/662869102.db2.gz AZIWDTBFSZPMPS-PBHICJAKSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000878445423 662896655 /nfs/dbraw/zinc/89/66/55/662896655.db2.gz GPOOBPROSLOOSE-VNQPRFMTSA-N 2 1 394.313 2.971 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cc(Br)no1 ZINC000878445423 662896656 /nfs/dbraw/zinc/89/66/56/662896656.db2.gz GPOOBPROSLOOSE-VNQPRFMTSA-N 2 1 394.313 2.971 20 0 GFADMP C[C@@H]1C[C@@H](c2ccc(Br)cc2)C[N@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000879055916 662914873 /nfs/dbraw/zinc/91/48/73/662914873.db2.gz HYIIYYMHEAPGQR-GDBMZVCRSA-N 2 1 394.357 2.837 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422559 663070497 /nfs/dbraw/zinc/07/04/97/663070497.db2.gz ZUVCCCMQUOBCKW-PBHICJAKSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000891682219 663347054 /nfs/dbraw/zinc/34/70/54/663347054.db2.gz SKSLJZJONKMUKV-CJNGLKHVSA-N 2 1 395.345 2.545 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)C2C[NH+](C3CCOCC3)C2)cc1Br ZINC000897516704 663608004 /nfs/dbraw/zinc/60/80/04/663608004.db2.gz KIGFFSJUBCAROB-UHFFFAOYSA-N 2 1 396.329 2.560 20 0 GFADMP C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1cccc(OCC[NH+](C)C)c1 ZINC000903189164 663777635 /nfs/dbraw/zinc/77/76/35/663777635.db2.gz QYTGMDOFMXRCOQ-CYBMUJFWSA-N 2 1 381.318 2.974 20 0 GFADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc(-c2nnc(Br)o2)cc1 ZINC000912265365 664278848 /nfs/dbraw/zinc/27/88/48/664278848.db2.gz RLMVYNDOEBOKHT-UHFFFAOYSA-N 2 1 382.306 2.795 20 0 GFADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc(-c2nnc(Br)o2)cc1 ZINC000912265365 664278853 /nfs/dbraw/zinc/27/88/53/664278853.db2.gz RLMVYNDOEBOKHT-UHFFFAOYSA-N 2 1 382.306 2.795 20 0 GFADMP Cc1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388201 664598185 /nfs/dbraw/zinc/59/81/85/664598185.db2.gz CVVGPDPHFLZRIE-BRSBDYLESA-N 2 1 382.346 2.722 20 0 GFADMP CSc1nc2c(c(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)n1)CCCC2 ZINC001164682612 719618520 /nfs/dbraw/zinc/61/85/20/719618520.db2.gz OKVYWWSQZFZLHO-UHFFFAOYSA-N 2 1 386.569 2.749 20 0 GFADMP CSc1nc2c(c(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)n1)CCCC2 ZINC001164682612 719618546 /nfs/dbraw/zinc/61/85/46/719618546.db2.gz OKVYWWSQZFZLHO-UHFFFAOYSA-N 2 1 386.569 2.749 20 0 GFADMP Cc1nc(-c2ccncc2)nc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164680573 719644355 /nfs/dbraw/zinc/64/43/55/719644355.db2.gz WKZNSODOUQHXAI-UHFFFAOYSA-N 2 1 391.523 2.827 20 0 GFADMP Cc1nc(-c2ccncc2)nc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1C ZINC001164680573 719644362 /nfs/dbraw/zinc/64/43/62/719644362.db2.gz WKZNSODOUQHXAI-UHFFFAOYSA-N 2 1 391.523 2.827 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815218 720198283 /nfs/dbraw/zinc/19/82/83/720198283.db2.gz XDQHSKWZBPZHGI-GMAHTHKFSA-N 2 1 384.568 2.862 20 0 GFADMP C[NH+]1CCC(CN2C(=O)CC[C@@H]3[C@@H]2CCN3c2ccc3c([nH+]2)CCCC3)CC1 ZINC001164818642 720312733 /nfs/dbraw/zinc/31/27/33/720312733.db2.gz AXHWFZUQZFOCCB-RTWAWAEBSA-N 2 1 382.552 2.872 20 0 GFADMP C[NH+]1CCC(Oc2ccnc(N3CC[C@H]4[C@@H]3CC[N@H+]4Cc3cccnc3)c2)CC1 ZINC001164725324 720472246 /nfs/dbraw/zinc/47/22/46/720472246.db2.gz JOYIALITIRMLHC-VXKWHMMOSA-N 2 1 393.535 2.803 20 0 GFADMP C[N@@H+](Cc1ccc(N2CC[NH+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873529 721159167 /nfs/dbraw/zinc/15/91/67/721159167.db2.gz INHIJPPKBYLYEU-FCHUYYIVSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873529 721159171 /nfs/dbraw/zinc/15/91/71/721159171.db2.gz INHIJPPKBYLYEU-FCHUYYIVSA-N 2 1 393.535 2.551 20 0 GFADMP C[NH+](Cc1ccc(N2CC[N@H+]3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1)C1CC1 ZINC001164873529 721159175 /nfs/dbraw/zinc/15/91/75/721159175.db2.gz INHIJPPKBYLYEU-FCHUYYIVSA-N 2 1 393.535 2.551 20 0 GFADMP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc(C)cc3C[NH3+])C2)C1 ZINC001164780851 721361638 /nfs/dbraw/zinc/36/16/38/721361638.db2.gz IEGGDAFAQDRTEL-QFIPXVFZSA-N 2 1 399.539 2.573 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3ccc4c(n3)CC[NH2+]C4)C[C@H]21 ZINC001165019647 721803031 /nfs/dbraw/zinc/80/30/31/721803031.db2.gz DKUWNWJFFNJYGF-CZTZKLFOSA-N 2 1 377.536 2.859 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)C(=O)NCC[N@H+]2Cc1ccccc1 ZINC001164946841 721971491 /nfs/dbraw/zinc/97/14/91/721971491.db2.gz XCCQZQPJQLXQCK-UHFFFAOYSA-N 2 1 389.503 2.544 20 0 GFADMP Cn1ccc2c1cc[nH+]c2N1CCC2(CC1)C(=O)NCC[N@@H+]2Cc1ccccc1 ZINC001164946841 721971492 /nfs/dbraw/zinc/97/14/92/721971492.db2.gz XCCQZQPJQLXQCK-UHFFFAOYSA-N 2 1 389.503 2.544 20 0 GFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(I)cc1 ZINC000151376883 551412453 /nfs/dbraw/zinc/41/24/53/551412453.db2.gz MNCPPKFGZSGENN-CYBMUJFWSA-N 2 1 388.293 2.789 20 0 GFADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154345469 551472851 /nfs/dbraw/zinc/47/28/51/551472851.db2.gz JDYTUCUMVQKHLX-CMPLNLGQSA-N 2 1 381.826 2.588 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181458979 552257041 /nfs/dbraw/zinc/25/70/41/552257041.db2.gz OSAXTBYUFPHKPT-PBHICJAKSA-N 2 1 382.346 2.858 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000181458979 552257042 /nfs/dbraw/zinc/25/70/42/552257042.db2.gz OSAXTBYUFPHKPT-PBHICJAKSA-N 2 1 382.346 2.858 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261761706 553158525 /nfs/dbraw/zinc/15/85/25/553158525.db2.gz JTQUTVIRKPFEKW-BEFAXECRSA-N 2 1 394.357 2.813 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262085618 553165802 /nfs/dbraw/zinc/16/58/02/553165802.db2.gz HNXCSYZXVZLEIG-JSGCOSHPSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000262085618 553165803 /nfs/dbraw/zinc/16/58/03/553165803.db2.gz HNXCSYZXVZLEIG-JSGCOSHPSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000262301043 553168569 /nfs/dbraw/zinc/16/85/69/553168569.db2.gz OPMCPKWVEOZRCH-DOMZBBRYSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1)[C@@H]1CCC[NH2+]1 ZINC000262301043 553168571 /nfs/dbraw/zinc/16/85/71/553168571.db2.gz OPMCPKWVEOZRCH-DOMZBBRYSA-N 2 1 386.359 2.591 20 0 GFADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542974 563216062 /nfs/dbraw/zinc/21/60/62/563216062.db2.gz ZIPSXSGXCHDNDG-HIFRSBDPSA-N 2 1 382.917 2.500 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408934 563262886 /nfs/dbraw/zinc/26/28/86/563262886.db2.gz QDMCCJQEQJEFDZ-FMKPAKJESA-N 2 1 382.346 2.713 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420408934 563262888 /nfs/dbraw/zinc/26/28/88/563262888.db2.gz QDMCCJQEQJEFDZ-FMKPAKJESA-N 2 1 382.346 2.713 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490065 563279102 /nfs/dbraw/zinc/27/91/02/563279102.db2.gz CKCRYWWOVNIXEW-IUODEOHRSA-N 2 1 377.286 2.886 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@@H]([NH2+][C@H](C)C2C[NH2+]C2)C1=O ZINC000423102940 563355594 /nfs/dbraw/zinc/35/55/94/563355594.db2.gz FQONFFRPIFLGSH-CZUORRHYSA-N 2 1 380.330 2.759 20 0 GFADMP C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)c1c[nH+]ccc1N ZINC000423156088 563357937 /nfs/dbraw/zinc/35/79/37/563357937.db2.gz MBACUEDMAPNBKK-VXGBXAGGSA-N 2 1 382.277 2.898 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435972 563506578 /nfs/dbraw/zinc/50/65/78/563506578.db2.gz WIWWIRACOMIPRH-JCKWVBRZSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cccc(S(N)(=O)=O)c1 ZINC000378435972 563506580 /nfs/dbraw/zinc/50/65/80/563506580.db2.gz WIWWIRACOMIPRH-JCKWVBRZSA-N 2 1 379.551 2.739 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559954 563544914 /nfs/dbraw/zinc/54/49/14/563544914.db2.gz UVAKNZFLNZNAGW-SQWLQELKSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430559954 563544915 /nfs/dbraw/zinc/54/49/15/563544915.db2.gz UVAKNZFLNZNAGW-SQWLQELKSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332253714 563587467 /nfs/dbraw/zinc/58/74/67/563587467.db2.gz AJNZJDNUHGLAIL-SJKOYZFVSA-N 2 1 385.339 2.946 20 0 GFADMP COC(=O)[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413495684 563694942 /nfs/dbraw/zinc/69/49/42/563694942.db2.gz JDTIMYLDNRAVTK-LBPRGKRZSA-N 2 1 378.270 2.538 20 0 GFADMP COC(=O)[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@@H+](C)C1 ZINC000413495684 563694944 /nfs/dbraw/zinc/69/49/44/563694944.db2.gz JDTIMYLDNRAVTK-LBPRGKRZSA-N 2 1 378.270 2.538 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000360890181 563694984 /nfs/dbraw/zinc/69/49/84/563694984.db2.gz XTXNEHNNCQLOMZ-XOKHGSTOSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000360890181 563694989 /nfs/dbraw/zinc/69/49/89/563694989.db2.gz XTXNEHNNCQLOMZ-XOKHGSTOSA-N 2 1 396.329 2.619 20 0 GFADMP COc1ccc(Br)cc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061502 563757922 /nfs/dbraw/zinc/75/79/22/563757922.db2.gz YGWAHQSFRRZLGO-UHFFFAOYSA-N 2 1 382.346 2.764 20 0 GFADMP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417989396 563893737 /nfs/dbraw/zinc/89/37/37/563893737.db2.gz JMYRHNYUXIVSEW-QGZVFWFLSA-N 2 1 385.339 2.994 20 0 GFADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2cc(Br)ccc2C)CC1 ZINC000537978240 564179262 /nfs/dbraw/zinc/17/92/62/564179262.db2.gz MGWRCMFWPAUHLI-UHFFFAOYSA-N 2 1 398.345 2.787 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(Br)cs1 ZINC000505806210 564190757 /nfs/dbraw/zinc/19/07/57/564190757.db2.gz DKBUXKADAXQVKB-AWEZNQCLSA-N 2 1 388.375 2.999 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000449681568 564195709 /nfs/dbraw/zinc/19/57/09/564195709.db2.gz MCAGDCGOMRWKSK-BMGDILEWSA-N 2 1 397.357 2.825 20 0 GFADMP CC(C)[NH2+]CCC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000564934767 564257916 /nfs/dbraw/zinc/25/79/16/564257916.db2.gz FMALPEGTBNRSCJ-UHFFFAOYSA-N 2 1 382.346 2.918 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc(I)cc2)[C@@H](C)C1 ZINC000511053830 564354857 /nfs/dbraw/zinc/35/48/57/564354857.db2.gz ZNJRDXJDAWZIQQ-XJKSGUPXSA-N 2 1 388.293 2.990 20 0 GFADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000567731423 564386329 /nfs/dbraw/zinc/38/63/29/564386329.db2.gz VTESVORMQLLFCC-KRWDZBQOSA-N 2 1 379.302 2.677 20 0 GFADMP C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000512151434 564393457 /nfs/dbraw/zinc/39/34/57/564393457.db2.gz YLZUNDGBAUEXTB-FHLIZLRMSA-N 2 1 381.973 2.934 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000514119035 564446078 /nfs/dbraw/zinc/44/60/78/564446078.db2.gz QEZKTELDWAMLTQ-OAHLLOKOSA-N 2 1 386.323 2.611 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000514119035 564446082 /nfs/dbraw/zinc/44/60/82/564446082.db2.gz QEZKTELDWAMLTQ-OAHLLOKOSA-N 2 1 386.323 2.611 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1Br ZINC000453384948 564455951 /nfs/dbraw/zinc/45/59/51/564455951.db2.gz UJOPCSWSNDIAND-JLJPHGGASA-N 2 1 385.346 2.539 20 0 GFADMP N[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647994 564508140 /nfs/dbraw/zinc/50/81/40/564508140.db2.gz HBYPZRLHDNHKBQ-WBVHZDCISA-N 2 1 378.929 2.967 20 0 GFADMP N[C@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647994 564508144 /nfs/dbraw/zinc/50/81/44/564508144.db2.gz HBYPZRLHDNHKBQ-WBVHZDCISA-N 2 1 378.929 2.967 20 0 GFADMP CC[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649471 564518481 /nfs/dbraw/zinc/51/84/81/564518481.db2.gz FIKUOCJMVBQUDM-QEORTHHSSA-N 2 1 385.961 2.914 20 0 GFADMP CC[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481649471 564518484 /nfs/dbraw/zinc/51/84/84/564518484.db2.gz FIKUOCJMVBQUDM-QEORTHHSSA-N 2 1 385.961 2.914 20 0 GFADMP C[NH+]1CCC(N2CCC([NH2+]Cc3ncc(Br)cc3F)CC2)CC1 ZINC000527650224 564752876 /nfs/dbraw/zinc/75/28/76/564752876.db2.gz OQMNNRXEDXFVSK-UHFFFAOYSA-N 2 1 385.325 2.631 20 0 GFADMP C[C@H](Cn1cc(Br)ccc1=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000527954495 564765203 /nfs/dbraw/zinc/76/52/03/564765203.db2.gz ZSAZBQSSKSBEPU-RHSMWYFYSA-N 2 1 382.346 2.996 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000581598304 564810002 /nfs/dbraw/zinc/81/00/02/564810002.db2.gz APFRURCJMJCMNS-YJBOKZPZSA-N 2 1 385.961 2.578 20 0 GFADMP Fc1c(Br)ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1F ZINC000530223387 564873276 /nfs/dbraw/zinc/87/32/76/564873276.db2.gz UYMPBJGHLKFKCZ-IACUBPJLSA-N 2 1 375.257 2.974 20 0 GFADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000583753487 564905863 /nfs/dbraw/zinc/90/58/63/564905863.db2.gz JWKNDTNPAIJFSH-JLZZUVOBSA-N 2 1 396.329 2.604 20 0 GFADMP COc1cc(Br)ccc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000560544706 564967522 /nfs/dbraw/zinc/96/75/22/564967522.db2.gz DXHFHMVOAXGQHB-UHFFFAOYSA-N 2 1 398.345 2.540 20 0 GFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639175879 565229659 /nfs/dbraw/zinc/22/96/59/565229659.db2.gz ARTJIFYZYVNHRG-UHFFFAOYSA-N 2 1 384.933 2.659 20 0 GFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639175879 565229668 /nfs/dbraw/zinc/22/96/68/565229668.db2.gz ARTJIFYZYVNHRG-UHFFFAOYSA-N 2 1 384.933 2.659 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1cccc(Br)c1 ZINC000617503725 565242610 /nfs/dbraw/zinc/24/26/10/565242610.db2.gz WIYCBFCBRSZESL-HNNXBMFYSA-N 2 1 384.362 2.770 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1cccc(Br)c1 ZINC000617503725 565242612 /nfs/dbraw/zinc/24/26/12/565242612.db2.gz WIYCBFCBRSZESL-HNNXBMFYSA-N 2 1 384.362 2.770 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000662324428 565360926 /nfs/dbraw/zinc/36/09/26/565360926.db2.gz XSBZQGSJWLNVCY-QGZVFWFLSA-N 2 1 398.345 2.820 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523349 565374809 /nfs/dbraw/zinc/37/48/09/565374809.db2.gz PWQPZVXDMVBIES-KEYYUXOJSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)c1ccccc1Br ZINC000662524596 565375242 /nfs/dbraw/zinc/37/52/42/565375242.db2.gz MPKFCJFCNZKZGB-KRWDZBQOSA-N 2 1 380.330 2.926 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662585970 565378011 /nfs/dbraw/zinc/37/80/11/565378011.db2.gz CTQQSPVWODFFMO-GFCCVEGCSA-N 2 1 398.370 2.966 20 0 GFADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667519 565380803 /nfs/dbraw/zinc/38/08/03/565380803.db2.gz BSYOBKOZWWJFJX-CXAGYDPISA-N 2 1 380.330 2.972 20 0 GFADMP [NH3+][C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667519 565380808 /nfs/dbraw/zinc/38/08/08/565380808.db2.gz BSYOBKOZWWJFJX-CXAGYDPISA-N 2 1 380.330 2.972 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632303 565485992 /nfs/dbraw/zinc/48/59/92/565485992.db2.gz WIYPOGKDEVDGBV-CABCVRRESA-N 2 1 391.339 2.824 20 0 GFADMP [NH3+]C1(CC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC1 ZINC000646241657 565591344 /nfs/dbraw/zinc/59/13/44/565591344.db2.gz BDAOCMQMYLOZLP-UHFFFAOYSA-N 2 1 380.330 2.801 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723196 565834138 /nfs/dbraw/zinc/83/41/38/565834138.db2.gz ITLUKOGBVDFJRX-HYVNUMGLSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(Br)cn23)C1 ZINC000650723196 565834141 /nfs/dbraw/zinc/83/41/41/565834141.db2.gz ITLUKOGBVDFJRX-HYVNUMGLSA-N 2 1 393.329 2.958 20 0 GFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000652352603 565922646 /nfs/dbraw/zinc/92/26/46/565922646.db2.gz DHWORYWZTTYGHA-OWQGQXMQSA-N 2 1 378.314 2.615 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360523 565924845 /nfs/dbraw/zinc/92/48/45/565924845.db2.gz KDZKHVDMNMBWJJ-HYVNUMGLSA-N 2 1 396.329 2.748 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360523 565924847 /nfs/dbraw/zinc/92/48/47/565924847.db2.gz KDZKHVDMNMBWJJ-HYVNUMGLSA-N 2 1 396.329 2.748 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000824893853 608282701 /nfs/dbraw/zinc/28/27/01/608282701.db2.gz VSIHSZMDGBLCIZ-YLJYHZDGSA-N 2 1 392.507 2.888 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC[N@H+]1Cc1ccccc1 ZINC000824893853 608282702 /nfs/dbraw/zinc/28/27/02/608282702.db2.gz VSIHSZMDGBLCIZ-YLJYHZDGSA-N 2 1 392.507 2.888 20 0 GFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824984988 609138452 /nfs/dbraw/zinc/13/84/52/609138452.db2.gz QAHSWCORUOUSAE-ZNMIVQPWSA-N 2 1 376.480 2.546 20 0 GFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccccc2Br)CC1 ZINC000819128889 660247477 /nfs/dbraw/zinc/24/74/77/660247477.db2.gz SOJRVVBZSWWUFR-GOSISDBHSA-N 2 1 385.346 2.962 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000064377928 654867431 /nfs/dbraw/zinc/86/74/31/654867431.db2.gz KJUOFUCGADWGMS-IRXDYDNUSA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000064377928 654867434 /nfs/dbraw/zinc/86/74/34/654867434.db2.gz KJUOFUCGADWGMS-IRXDYDNUSA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064377928 654867437 /nfs/dbraw/zinc/86/74/37/654867437.db2.gz KJUOFUCGADWGMS-IRXDYDNUSA-N 2 1 380.627 2.909 20 0 GFADMP COc1cc(Cl)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1Cl ZINC000092615913 655014812 /nfs/dbraw/zinc/01/48/12/655014812.db2.gz ICCYTTRBFOVETR-UHFFFAOYSA-N 2 1 388.339 2.892 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccncc1Br ZINC000272645720 655118108 /nfs/dbraw/zinc/11/81/08/655118108.db2.gz FLHJDFSIBQESRW-AWEZNQCLSA-N 2 1 398.349 2.724 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CC[C@@H](c2cccc(Br)c2)C1=O ZINC000839990140 661122594 /nfs/dbraw/zinc/12/25/94/661122594.db2.gz CYPOZUNDJJHFND-SFHVURJKSA-N 2 1 394.357 2.996 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccsc2Br)CC1 ZINC000576308716 655445114 /nfs/dbraw/zinc/44/51/14/655445114.db2.gz YSUHXFJTUFYNNP-UHFFFAOYSA-N 2 1 381.299 2.910 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000746676410 655766436 /nfs/dbraw/zinc/76/64/36/655766436.db2.gz UVRLHZMAYXVRSY-MSOLQXFVSA-N 2 1 385.346 2.915 20 0 GFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000746676410 655766438 /nfs/dbraw/zinc/76/64/38/655766438.db2.gz UVRLHZMAYXVRSY-MSOLQXFVSA-N 2 1 385.346 2.915 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862166982 662271708 /nfs/dbraw/zinc/27/17/08/662271708.db2.gz OVXFTIPEDZNDQS-LBPRGKRZSA-N 2 1 378.464 2.695 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(SC(F)(F)F)nc1 ZINC000862166982 662271711 /nfs/dbraw/zinc/27/17/11/662271711.db2.gz OVXFTIPEDZNDQS-LBPRGKRZSA-N 2 1 378.464 2.695 20 0 GFADMP O[C@H](C[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027968 662754114 /nfs/dbraw/zinc/75/41/14/662754114.db2.gz OPQPZXYOFXTQEA-CGTJXYLNSA-N 2 1 383.330 2.573 20 0 GFADMP C[N@@H+]1CC[C@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726519 662786880 /nfs/dbraw/zinc/78/68/80/662786880.db2.gz RPKKKAUWHDGOLN-BBRMVZONSA-N 2 1 376.298 2.748 20 0 GFADMP C[N@H+]1CC[C@H]2C[NH+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726519 662786883 /nfs/dbraw/zinc/78/68/83/662786883.db2.gz RPKKKAUWHDGOLN-BBRMVZONSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@H]2C[N@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726519 662786884 /nfs/dbraw/zinc/78/68/84/662786884.db2.gz RPKKKAUWHDGOLN-BBRMVZONSA-N 2 1 376.298 2.748 20 0 GFADMP C[NH+]1CC[C@H]2C[N@@H+](Cn3ccc(=O)c4cccc(Br)c43)CC[C@@H]21 ZINC000872726519 662786886 /nfs/dbraw/zinc/78/68/86/662786886.db2.gz RPKKKAUWHDGOLN-BBRMVZONSA-N 2 1 376.298 2.748 20 0 GFADMP CCOP(=O)(CCC[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)OCC ZINC000876781575 662866285 /nfs/dbraw/zinc/86/62/85/662866285.db2.gz IBKZSSXYDSFCSM-ROUUACIJSA-N 2 1 375.494 2.600 20 0 GFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000877055864 662870359 /nfs/dbraw/zinc/87/03/59/662870359.db2.gz WKXAFTOSDMDOAS-CRAIPNDOSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cccc(S(N)(=O)=O)c2)[C@@H]1c1cccs1 ZINC000877055864 662870360 /nfs/dbraw/zinc/87/03/60/662870360.db2.gz WKXAFTOSDMDOAS-CRAIPNDOSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571935 662929729 /nfs/dbraw/zinc/92/97/29/662929729.db2.gz UROCOUPREPKSNT-WBMJQRKESA-N 2 1 384.293 2.943 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571935 662929732 /nfs/dbraw/zinc/92/97/32/662929732.db2.gz UROCOUPREPKSNT-WBMJQRKESA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571935 662929734 /nfs/dbraw/zinc/92/97/34/662929734.db2.gz UROCOUPREPKSNT-WBMJQRKESA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@@H]21 ZINC000879571935 662929736 /nfs/dbraw/zinc/92/97/36/662929736.db2.gz UROCOUPREPKSNT-WBMJQRKESA-N 2 1 384.293 2.943 20 0 GFADMP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000892907024 663389206 /nfs/dbraw/zinc/38/92/06/663389206.db2.gz WGDJSBXQMCHQNW-QAPCUYQASA-N 2 1 384.973 2.965 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)C[C@H]1CC[NH3+] ZINC000903978128 663814599 /nfs/dbraw/zinc/81/45/99/663814599.db2.gz FZGXOCZRCGXLMJ-HUUCEWRRSA-N 2 1 382.346 2.702 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905106211 663853645 /nfs/dbraw/zinc/85/36/45/663853645.db2.gz OGECHJAYQYDWLI-QGZVFWFLSA-N 2 1 388.339 2.559 20 0 GFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000922388428 664598071 /nfs/dbraw/zinc/59/80/71/664598071.db2.gz DWJFCTIHMXREBG-BDXSIMOUSA-N 2 1 382.346 2.722 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000923427692 664630186 /nfs/dbraw/zinc/63/01/86/664630186.db2.gz UWZQPJCYYBUZMY-JLLWLGSASA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@@H]1C(F)(F)F ZINC000923427692 664630188 /nfs/dbraw/zinc/63/01/88/664630188.db2.gz UWZQPJCYYBUZMY-JLLWLGSASA-N 2 1 387.229 2.802 20 0 GFADMP Cn1ncc(I)c1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925727476 664674246 /nfs/dbraw/zinc/67/42/46/664674246.db2.gz FMQJTRLNMQVRKO-AWEZNQCLSA-N 2 1 384.265 2.595 20 0 GFADMP CCc1cc2c(nc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)[nH]1 ZINC001164679809 719633446 /nfs/dbraw/zinc/63/34/46/719633446.db2.gz NXMMBQMLOZKQOV-UHFFFAOYSA-N 2 1 387.919 2.845 20 0 GFADMP CCc1cc2c(nc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)[nH]1 ZINC001164679809 719633460 /nfs/dbraw/zinc/63/34/60/719633460.db2.gz NXMMBQMLOZKQOV-UHFFFAOYSA-N 2 1 387.919 2.845 20 0 GFADMP COc1ccc(-c2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164679501 719638931 /nfs/dbraw/zinc/63/89/31/719638931.db2.gz DATRPTHAZQFWSV-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1ccc(-c2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nn2)cc1 ZINC001164679501 719638939 /nfs/dbraw/zinc/63/89/39/719638939.db2.gz DATRPTHAZQFWSV-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP C[NH+]1CCC(CN2C(=O)CC[C@H]3[C@H]2CCN3c2ccc3c([nH+]2)CCCC3)CC1 ZINC001164818640 720312552 /nfs/dbraw/zinc/31/25/52/720312552.db2.gz AXHWFZUQZFOCCB-LEWJYISDSA-N 2 1 382.552 2.872 20 0 GFADMP CC(C)[N@H+]1[C@@H]2CCN(c3nc(NC4CC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837144 720506002 /nfs/dbraw/zinc/50/60/02/720506002.db2.gz NWKRNQJJMXTSNX-NZSAHSFTSA-N 2 1 381.528 2.625 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3nc(NC4CC4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164837144 720506004 /nfs/dbraw/zinc/50/60/04/720506004.db2.gz NWKRNQJJMXTSNX-NZSAHSFTSA-N 2 1 381.528 2.625 20 0 GFADMP C[NH+](C)C[C@H]1Cn2ccnc2CN(c2[nH+]cnc3c2ccn3C2CCCC2)C1 ZINC001164726786 720516859 /nfs/dbraw/zinc/51/68/59/720516859.db2.gz DUTWZKBZLZHOLQ-INIZCTEOSA-N 2 1 379.512 2.941 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834909 720526711 /nfs/dbraw/zinc/52/67/11/720526711.db2.gz IEGFYEOSTJFQIJ-ZHALLVOQSA-N 2 1 379.512 2.841 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164834909 720526714 /nfs/dbraw/zinc/52/67/14/720526714.db2.gz IEGFYEOSTJFQIJ-ZHALLVOQSA-N 2 1 379.512 2.841 20 0 GFADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCc2sccc2C1)c1cccs1 ZINC000054539935 551169242 /nfs/dbraw/zinc/16/92/42/551169242.db2.gz OUIYTGYCMCUAFG-HNNXBMFYSA-N 2 1 378.567 2.770 20 0 GFADMP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CCc2sccc2C1)c1cccs1 ZINC000054539935 551169245 /nfs/dbraw/zinc/16/92/45/551169245.db2.gz OUIYTGYCMCUAFG-HNNXBMFYSA-N 2 1 378.567 2.770 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000156402840 551522263 /nfs/dbraw/zinc/52/22/63/551522263.db2.gz RHEHLBNFDWTYJO-JKIFEVAISA-N 2 1 382.346 2.887 20 0 GFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CSC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236830663 553072084 /nfs/dbraw/zinc/07/20/84/553072084.db2.gz CAVLTGHCKXWIES-GJZGRUSLSA-N 2 1 375.460 2.867 20 0 GFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261885031 553161445 /nfs/dbraw/zinc/16/14/45/553161445.db2.gz ZPWKHAQOBXVNLR-FUHWJXTLSA-N 2 1 382.346 2.956 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2csc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262085620 553166000 /nfs/dbraw/zinc/16/60/00/553166000.db2.gz HNXCSYZXVZLEIG-TZMCWYRMSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2csc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262085620 553166001 /nfs/dbraw/zinc/16/60/01/553166001.db2.gz HNXCSYZXVZLEIG-TZMCWYRMSA-N 2 1 386.359 2.591 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370573189 563248496 /nfs/dbraw/zinc/24/84/96/563248496.db2.gz AJNDGYMTLKMKAL-INIZCTEOSA-N 2 1 385.599 2.755 20 0 GFADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000420365286 563263054 /nfs/dbraw/zinc/26/30/54/563263054.db2.gz IZKVZKCECZSYOE-QGZVFWFLSA-N 2 1 384.293 2.992 20 0 GFADMP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(Br)c1)c1c[nH+]ccc1N ZINC000423156082 563357072 /nfs/dbraw/zinc/35/70/72/563357072.db2.gz LZXMQYMSUJFAGW-DGCLKSJQSA-N 2 1 382.277 2.898 20 0 GFADMP COC[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405345 563360456 /nfs/dbraw/zinc/36/04/56/563360456.db2.gz ZAFKGVQGSRHRJW-KBPBESRZSA-N 2 1 383.817 2.592 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)C[C@H]3C)c2cc1Br ZINC000425269373 563416497 /nfs/dbraw/zinc/41/64/97/563416497.db2.gz RBMOOXCCMGHZBR-GFCCVEGCSA-N 2 1 380.286 2.509 20 0 GFADMP Brc1cccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000323986703 563451450 /nfs/dbraw/zinc/45/14/50/563451450.db2.gz JXYAGOJFDNYUSR-OKILXGFUSA-N 2 1 377.286 2.931 20 0 GFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000432370922 563582872 /nfs/dbraw/zinc/58/28/72/563582872.db2.gz WMROSSJXMWIDGO-CYBMUJFWSA-N 2 1 385.302 2.768 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(c(Br)c2)OCO3)CCCO1 ZINC000432370922 563582874 /nfs/dbraw/zinc/58/28/74/563582874.db2.gz WMROSSJXMWIDGO-CYBMUJFWSA-N 2 1 385.302 2.768 20 0 GFADMP CC(C)[C@@H](C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000433145175 563604023 /nfs/dbraw/zinc/60/40/23/563604023.db2.gz PKCFWXIHGJSPHO-QGZVFWFLSA-N 2 1 382.346 2.761 20 0 GFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109803 563620855 /nfs/dbraw/zinc/62/08/55/563620855.db2.gz GFAYAHDGJGQBHN-AEFFLSMTSA-N 2 1 393.329 2.815 20 0 GFADMP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444052 563725372 /nfs/dbraw/zinc/72/53/72/563725372.db2.gz BMFLSDIYQWAJFP-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444052 563725376 /nfs/dbraw/zinc/72/53/76/563725376.db2.gz BMFLSDIYQWAJFP-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444052 563725379 /nfs/dbraw/zinc/72/53/79/563725379.db2.gz BMFLSDIYQWAJFP-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000439444052 563725381 /nfs/dbraw/zinc/72/53/81/563725381.db2.gz BMFLSDIYQWAJFP-CJNGLKHVSA-N 2 1 389.309 2.602 20 0 GFADMP CC[C@@H]1Cc2c(Br)cccc2C[N@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414759384 563752537 /nfs/dbraw/zinc/75/25/37/563752537.db2.gz ODXTYNGIDJTODI-GDBMZVCRSA-N 2 1 394.357 2.783 20 0 GFADMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939012 563754590 /nfs/dbraw/zinc/75/45/90/563754590.db2.gz FXOOJTILWLMGOU-GUYCJALGSA-N 2 1 384.318 2.524 20 0 GFADMP C[N@@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000415070941 563757673 /nfs/dbraw/zinc/75/76/73/563757673.db2.gz RSZMIHHWCRGQIK-INIZCTEOSA-N 2 1 379.298 2.780 20 0 GFADMP C[N@H+](Cc1ccc(OCc2ccccc2)c(Br)c1)C[C@@H](O)C[NH3+] ZINC000415070941 563757675 /nfs/dbraw/zinc/75/76/75/563757675.db2.gz RSZMIHHWCRGQIK-INIZCTEOSA-N 2 1 379.298 2.780 20 0 GFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767405 563854905 /nfs/dbraw/zinc/85/49/05/563854905.db2.gz LMARCDUPVZVADO-KXBFYZLASA-N 2 1 386.367 2.986 20 0 GFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C[C@H](O)c3ccc(Cl)cc3Cl)C2)CC1 ZINC000367767405 563854908 /nfs/dbraw/zinc/85/49/08/563854908.db2.gz LMARCDUPVZVADO-KXBFYZLASA-N 2 1 386.367 2.986 20 0 GFADMP CCN(CC)S(=O)(=O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449143573 563907245 /nfs/dbraw/zinc/90/72/45/563907245.db2.gz IBZURVCRKXTAAD-UHFFFAOYSA-N 2 1 375.623 2.927 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C)c1Cl ZINC000538317302 564188231 /nfs/dbraw/zinc/18/82/31/564188231.db2.gz AOJVXRPRVHLPPH-MRXNPFEDSA-N 2 1 387.977 2.685 20 0 GFADMP CN(CC[N@@H+](C)CCOc1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000540320032 564245407 /nfs/dbraw/zinc/24/54/07/564245407.db2.gz XQAZCLDBGCWRAE-UHFFFAOYSA-N 2 1 384.362 2.786 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)cc1Cl ZINC000508076688 564252467 /nfs/dbraw/zinc/25/24/67/564252467.db2.gz BVWHIZJFZMWEIX-MRXNPFEDSA-N 2 1 387.977 2.685 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567891290 564394482 /nfs/dbraw/zinc/39/44/82/564394482.db2.gz XKJYFSFSDPLSAE-GLQYFDAESA-N 2 1 386.359 2.528 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000567891290 564394485 /nfs/dbraw/zinc/39/44/85/564394485.db2.gz XKJYFSFSDPLSAE-GLQYFDAESA-N 2 1 386.359 2.528 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1Br ZINC000453380730 564456159 /nfs/dbraw/zinc/45/61/59/564456159.db2.gz RDWGMGHHZMZKJM-JSSFPYSZSA-N 2 1 399.373 2.927 20 0 GFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000569850026 564480905 /nfs/dbraw/zinc/48/09/05/564480905.db2.gz BVZCMTWVDSZPSZ-QAPCUYQASA-N 2 1 387.977 2.978 20 0 GFADMP C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000570215916 564495889 /nfs/dbraw/zinc/49/58/89/564495889.db2.gz MDOFNSARJKPNKM-HIFRSBDPSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H]([NH2+]Cc1cc(Cl)cc(S(N)(=O)=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000570215916 564495893 /nfs/dbraw/zinc/49/58/93/564495893.db2.gz MDOFNSARJKPNKM-HIFRSBDPSA-N 2 1 385.961 2.730 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2sccc2Br)CC1 ZINC000516710004 564510496 /nfs/dbraw/zinc/51/04/96/564510496.db2.gz ZNAQTYFNOHGFIB-UHFFFAOYSA-N 2 1 395.326 2.839 20 0 GFADMP COc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000571047531 564533261 /nfs/dbraw/zinc/53/32/61/564533261.db2.gz VXLXAYMDYFFALQ-AWEZNQCLSA-N 2 1 399.329 2.654 20 0 GFADMP COc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1OC ZINC000571047531 564533265 /nfs/dbraw/zinc/53/32/65/564533265.db2.gz VXLXAYMDYFFALQ-AWEZNQCLSA-N 2 1 399.329 2.654 20 0 GFADMP CCC[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000518371538 564551532 /nfs/dbraw/zinc/55/15/32/564551532.db2.gz YQFTYHQJFVQOMY-AWEZNQCLSA-N 2 1 382.346 2.918 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000572274732 564588139 /nfs/dbraw/zinc/58/81/39/564588139.db2.gz LYNOJJDUEZNLJX-BBRMVZONSA-N 2 1 382.302 2.620 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1Br ZINC000520507595 564606755 /nfs/dbraw/zinc/60/67/55/564606755.db2.gz IDDGJWNGSWGKNX-QGZVFWFLSA-N 2 1 396.373 2.866 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)s1 ZINC000499511991 564929860 /nfs/dbraw/zinc/92/98/60/564929860.db2.gz CWCKOHHQQCVJFL-CYBMUJFWSA-N 2 1 388.375 2.999 20 0 GFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531172 564965158 /nfs/dbraw/zinc/96/51/58/564965158.db2.gz QZCPVAGAQVIQIS-CJNGLKHVSA-N 2 1 393.329 2.619 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531172 564965163 /nfs/dbraw/zinc/96/51/63/564965163.db2.gz QZCPVAGAQVIQIS-CJNGLKHVSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531172 564965165 /nfs/dbraw/zinc/96/51/65/564965165.db2.gz QZCPVAGAQVIQIS-CJNGLKHVSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@H](C)C1 ZINC000533531172 564965167 /nfs/dbraw/zinc/96/51/67/564965167.db2.gz QZCPVAGAQVIQIS-CJNGLKHVSA-N 2 1 393.329 2.619 20 0 GFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Br)cn3)cc2)C1 ZINC000657596852 565111908 /nfs/dbraw/zinc/11/19/08/565111908.db2.gz ZSAMWHVOTCCHFD-SFHVURJKSA-N 2 1 376.298 2.701 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638151318 565186380 /nfs/dbraw/zinc/18/63/80/565186380.db2.gz CFRDFDQAITWHTC-HNNXBMFYSA-N 2 1 385.599 2.872 20 0 GFADMP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659298749 565211817 /nfs/dbraw/zinc/21/18/17/565211817.db2.gz ALORCXNJHBXSNI-NSHDSACASA-N 2 1 396.310 2.552 20 0 GFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000660035309 565242079 /nfs/dbraw/zinc/24/20/79/565242079.db2.gz VWHCMCHIUSOLHG-KRWDZBQOSA-N 2 1 385.346 2.746 20 0 GFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(c2ccc(Br)cc2)CCOCC1 ZINC000660035309 565242080 /nfs/dbraw/zinc/24/20/80/565242080.db2.gz VWHCMCHIUSOLHG-KRWDZBQOSA-N 2 1 385.346 2.746 20 0 GFADMP COc1cc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)sc1Br ZINC000617506538 565243897 /nfs/dbraw/zinc/24/38/97/565243897.db2.gz RQBJJWJEBXJIOT-NSHDSACASA-N 2 1 392.363 2.521 20 0 GFADMP COc1cc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)sc1Br ZINC000617506538 565243903 /nfs/dbraw/zinc/24/39/03/565243903.db2.gz RQBJJWJEBXJIOT-NSHDSACASA-N 2 1 392.363 2.521 20 0 GFADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000639763384 565258404 /nfs/dbraw/zinc/25/84/04/565258404.db2.gz QNFTWBXCDOPOLT-INIZCTEOSA-N 2 1 383.330 2.607 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295706 565359470 /nfs/dbraw/zinc/35/94/70/565359470.db2.gz WMFBHFZMQHXHHN-RDJZCZTQSA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295706 565359473 /nfs/dbraw/zinc/35/94/73/565359473.db2.gz WMFBHFZMQHXHHN-RDJZCZTQSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662386862 565365062 /nfs/dbraw/zinc/36/50/62/565365062.db2.gz OCHTZOSQNIWSJQ-VBQJREDUSA-N 2 1 382.346 2.933 20 0 GFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662386862 565365064 /nfs/dbraw/zinc/36/50/64/565365064.db2.gz OCHTZOSQNIWSJQ-VBQJREDUSA-N 2 1 382.346 2.933 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590438 565378159 /nfs/dbraw/zinc/37/81/59/565378159.db2.gz MKRHMFMDXIIROC-YOEHRIQHSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000642793059 565417383 /nfs/dbraw/zinc/41/73/83/565417383.db2.gz BXRPFJQVWFGWSN-UKRRQHHQSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000642793059 565417385 /nfs/dbraw/zinc/41/73/85/565417385.db2.gz BXRPFJQVWFGWSN-UKRRQHHQSA-N 2 1 385.961 2.730 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000644532052 565480712 /nfs/dbraw/zinc/48/07/12/565480712.db2.gz XCVUKBNMRLYSCH-DOTOQJQBSA-N 2 1 385.346 2.899 20 0 GFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(Br)cc(C(F)(F)F)c1 ZINC000647492841 565661536 /nfs/dbraw/zinc/66/15/36/565661536.db2.gz CRBHFJRQEFISKC-UHFFFAOYSA-N 2 1 380.252 2.805 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706358 565832502 /nfs/dbraw/zinc/83/25/02/565832502.db2.gz JCFWHUYTAUWTAI-UNEWFSDZSA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706358 565832505 /nfs/dbraw/zinc/83/25/05/565832505.db2.gz JCFWHUYTAUWTAI-UNEWFSDZSA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]21 ZINC000629519374 565857455 /nfs/dbraw/zinc/85/74/55/565857455.db2.gz PWSPYQSLGHODSO-JWDQPFGJSA-N 2 1 378.314 2.762 20 0 GFADMP C[C@H](c1ccccc1Br)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630612387 565911620 /nfs/dbraw/zinc/91/16/20/565911620.db2.gz MTXFNBLDMVPRBQ-CYBMUJFWSA-N 2 1 378.318 2.616 20 0 GFADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000652354563 565922895 /nfs/dbraw/zinc/92/28/95/565922895.db2.gz BWWIAMZAHVIGKC-DOMZBBRYSA-N 2 1 388.375 2.918 20 0 GFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cc(Br)cs2)[C@H]1CC[NH3+] ZINC000652354563 565922899 /nfs/dbraw/zinc/92/28/99/565922899.db2.gz BWWIAMZAHVIGKC-DOMZBBRYSA-N 2 1 388.375 2.918 20 0 GFADMP C[C@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631682943 565967774 /nfs/dbraw/zinc/96/77/74/565967774.db2.gz CVAXGQUWJFKPCM-ZDUSSCGKSA-N 2 1 381.318 2.974 20 0 GFADMP C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000821610788 599591974 /nfs/dbraw/zinc/59/19/74/599591974.db2.gz FHHCHOYZXJPVBH-QGZVFWFLSA-N 2 1 380.471 2.960 20 0 GFADMP C[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821610788 599591976 /nfs/dbraw/zinc/59/19/76/599591976.db2.gz FHHCHOYZXJPVBH-QGZVFWFLSA-N 2 1 380.471 2.960 20 0 GFADMP C[NH+](Cc1ccc(F)cc1-c1nn[nH]n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821610788 599591977 /nfs/dbraw/zinc/59/19/77/599591977.db2.gz FHHCHOYZXJPVBH-QGZVFWFLSA-N 2 1 380.471 2.960 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)c2ccc(F)c(Br)c2)CCCO1 ZINC000819265244 660252710 /nfs/dbraw/zinc/25/27/10/660252710.db2.gz NHFPKICHAMZFSK-CXAGYDPISA-N 2 1 389.309 2.712 20 0 GFADMP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000820963905 660311327 /nfs/dbraw/zinc/31/13/27/660311327.db2.gz ASIPJTMIQWFTEH-UHFFFAOYSA-N 2 1 380.330 2.626 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000097549686 655035743 /nfs/dbraw/zinc/03/57/43/655035743.db2.gz RLSSVYRSSVBEDM-OAHLLOKOSA-N 2 1 391.940 2.516 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000145489849 655045637 /nfs/dbraw/zinc/04/56/37/655045637.db2.gz KJUOFUCGADWGMS-DLBZAZTESA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000145489849 655045638 /nfs/dbraw/zinc/04/56/38/655045638.db2.gz KJUOFUCGADWGMS-DLBZAZTESA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000145489849 655045639 /nfs/dbraw/zinc/04/56/39/655045639.db2.gz KJUOFUCGADWGMS-DLBZAZTESA-N 2 1 380.627 2.909 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325233177 655384575 /nfs/dbraw/zinc/38/45/75/655384575.db2.gz FONHCNXMFBPLTE-XJKSGUPXSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1)[C@H]1CCC[NH2+]1 ZINC000325233177 655384579 /nfs/dbraw/zinc/38/45/79/655384579.db2.gz FONHCNXMFBPLTE-XJKSGUPXSA-N 2 1 398.320 2.668 20 0 GFADMP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000762460875 656042790 /nfs/dbraw/zinc/04/27/90/656042790.db2.gz KONLGTWNNVNGJQ-WMLDXEAASA-N 2 1 386.968 2.888 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844903152 661448870 /nfs/dbraw/zinc/44/88/70/661448870.db2.gz TYEWLDGIBKRNEJ-DMDPSCGWSA-N 2 1 380.842 2.811 20 0 GFADMP Cn1nc(C(F)(F)F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1Cl ZINC000844903152 661448874 /nfs/dbraw/zinc/44/88/74/661448874.db2.gz TYEWLDGIBKRNEJ-DMDPSCGWSA-N 2 1 380.842 2.811 20 0 GFADMP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000870987682 662712398 /nfs/dbraw/zinc/71/23/98/662712398.db2.gz AFPGVPMRMOBEMQ-INIZCTEOSA-N 2 1 386.359 2.951 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147759 662756662 /nfs/dbraw/zinc/75/66/62/662756662.db2.gz DKMDWAVNIBSONG-ZYHUDNBSSA-N 2 1 379.810 2.746 20 0 GFADMP COc1ccc(Cl)cc1NC(=O)CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000872147759 662756665 /nfs/dbraw/zinc/75/66/65/662756665.db2.gz DKMDWAVNIBSONG-ZYHUDNBSSA-N 2 1 379.810 2.746 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(Br)c1 ZINC000876979317 662869094 /nfs/dbraw/zinc/86/90/94/662869094.db2.gz AZIWDTBFSZPMPS-WMLDXEAASA-N 2 1 380.330 2.687 20 0 GFADMP C[NH2+][C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1cccc(Cl)c1Cl ZINC000877357368 662874301 /nfs/dbraw/zinc/87/43/01/662874301.db2.gz SCNCVJUIDGBHRY-FWDPORAESA-N 2 1 384.229 2.850 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287397 662893162 /nfs/dbraw/zinc/89/31/62/662893162.db2.gz AYPGDCVHJSLMPN-BRSBDYLESA-N 2 1 383.330 2.666 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819335 663807514 /nfs/dbraw/zinc/80/75/14/663807514.db2.gz HASRCCVRITVPJV-HNNXBMFYSA-N 2 1 389.323 2.578 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Cl)C[N@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819335 663807515 /nfs/dbraw/zinc/80/75/15/663807515.db2.gz HASRCCVRITVPJV-HNNXBMFYSA-N 2 1 389.323 2.578 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391234 664598392 /nfs/dbraw/zinc/59/83/92/664598392.db2.gz VBZKQTBJGJGNDL-ZNEHSRBWSA-N 2 1 388.375 2.783 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391234 664598395 /nfs/dbraw/zinc/59/83/95/664598395.db2.gz VBZKQTBJGJGNDL-ZNEHSRBWSA-N 2 1 388.375 2.783 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@H](C)C1 ZINC000927008120 664702236 /nfs/dbraw/zinc/70/22/36/664702236.db2.gz NBRORGKMAFRTLW-WBVHZDCISA-N 2 1 399.377 2.861 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(=O)OCC)C[C@@H]3C[NH2+]C[C@H]32)nc1 ZINC001164618175 719018769 /nfs/dbraw/zinc/01/87/69/719018769.db2.gz QLWRDAHHKRTVEH-YSTOQKLRSA-N 2 1 386.540 2.748 20 0 GFADMP COC(=O)c1cc2ccccc2c(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679807 719642462 /nfs/dbraw/zinc/64/24/62/719642462.db2.gz NVVVPFHENUMDOF-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC(=O)c1cc2ccccc2c(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164679807 719642471 /nfs/dbraw/zinc/64/24/71/719642471.db2.gz NVVVPFHENUMDOF-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164713031 720133313 /nfs/dbraw/zinc/13/33/13/720133313.db2.gz PDXDLWLSBTWGCH-IBGZPJMESA-N 2 1 381.524 2.875 20 0 GFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164721697 720361057 /nfs/dbraw/zinc/36/10/57/720361057.db2.gz DARYETJQVZBVEJ-RTBURBONSA-N 2 1 398.942 2.845 20 0 GFADMP COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1cc(N)c(C)c[nH+]1)CC2 ZINC001164791726 721465020 /nfs/dbraw/zinc/46/50/20/721465020.db2.gz XZUYWCFSAMKFQS-LJQANCHMSA-N 2 1 388.556 2.706 20 0 GFADMP c1csc(C[N@@H+]2C[C@H]3CC[C@@H](C2)N3c2ccc(OC3CC[NH2+]CC3)nn2)c1 ZINC001164937009 721913947 /nfs/dbraw/zinc/91/39/47/721913947.db2.gz FCPUSICNZNUFHW-IYBDPMFKSA-N 2 1 385.537 2.522 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)[C@H](C)C1 ZINC000152679886 551437985 /nfs/dbraw/zinc/43/79/85/551437985.db2.gz HVUIGYVOSBEYTL-RHSMWYFYSA-N 2 1 382.346 2.889 20 0 GFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000153784163 551460678 /nfs/dbraw/zinc/46/06/78/551460678.db2.gz NOEIKIZUMHBOBY-ZDUSSCGKSA-N 2 1 376.282 2.910 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000236686327 553070467 /nfs/dbraw/zinc/07/04/67/553070467.db2.gz YHXDANRAWMDDPH-KRWDZBQOSA-N 2 1 380.330 2.672 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261636383 553154575 /nfs/dbraw/zinc/15/45/75/553154575.db2.gz HWNFNJQKQSMNBY-WMLDXEAASA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261636383 553154577 /nfs/dbraw/zinc/15/45/77/553154577.db2.gz HWNFNJQKQSMNBY-WMLDXEAASA-N 2 1 398.320 2.668 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)c1 ZINC000261684260 553155824 /nfs/dbraw/zinc/15/58/24/553155824.db2.gz NABIKDPJOLWUFG-MAUKXSAKSA-N 2 1 394.357 2.838 20 0 GFADMP Cc1cccc(NCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[nH+]1 ZINC000261841357 553160358 /nfs/dbraw/zinc/16/03/58/553160358.db2.gz UZINVHMKVJSORD-KRWDZBQOSA-N 2 1 377.286 2.555 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262365614 553169786 /nfs/dbraw/zinc/16/97/86/553169786.db2.gz WWNDKZXBSXTFFY-JSGCOSHPSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262365614 553169790 /nfs/dbraw/zinc/16/97/90/553169790.db2.gz WWNDKZXBSXTFFY-JSGCOSHPSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262365618 553170012 /nfs/dbraw/zinc/17/00/12/553170012.db2.gz WWNDKZXBSXTFFY-OCCSQVGLSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1)[C@@H]1CCC[NH2+]1 ZINC000262365618 553170014 /nfs/dbraw/zinc/17/00/14/553170014.db2.gz WWNDKZXBSXTFFY-OCCSQVGLSA-N 2 1 386.359 2.591 20 0 GFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474933570 564293723 /nfs/dbraw/zinc/29/37/23/564293723.db2.gz XKXNBRXHUFWGBD-CYBMUJFWSA-N 2 1 383.208 2.504 20 0 GFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)C1 ZINC000474933570 564293727 /nfs/dbraw/zinc/29/37/27/564293727.db2.gz XKXNBRXHUFWGBD-CYBMUJFWSA-N 2 1 383.208 2.504 20 0 GFADMP Cc1nn(C)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1Br ZINC000279232577 563288589 /nfs/dbraw/zinc/28/85/89/563288589.db2.gz YVHXTLOQLYSRQH-UHFFFAOYSA-N 2 1 381.318 2.721 20 0 GFADMP C[C@@H]1C[C@H](C)[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000397318226 563531445 /nfs/dbraw/zinc/53/14/45/563531445.db2.gz MFEWTNODSWPCJJ-IJEWVQPXSA-N 2 1 382.346 2.713 20 0 GFADMP C[C@@H]1C[C@H](C)[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000397318226 563531451 /nfs/dbraw/zinc/53/14/51/563531451.db2.gz MFEWTNODSWPCJJ-IJEWVQPXSA-N 2 1 382.346 2.713 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000397308389 563531491 /nfs/dbraw/zinc/53/14/91/563531491.db2.gz HVBVPXFEHCIHPD-HOSILWTGSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000397308389 563531497 /nfs/dbraw/zinc/53/14/97/563531497.db2.gz HVBVPXFEHCIHPD-HOSILWTGSA-N 2 1 382.346 2.932 20 0 GFADMP O=C([C@@H]1CCC[N@H+](CCOc2c(Cl)cccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430604802 563546534 /nfs/dbraw/zinc/54/65/34/563546534.db2.gz RIUYEPFNFVXTSF-CQSZACIVSA-N 2 1 386.323 2.516 20 0 GFADMP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000434881239 563639695 /nfs/dbraw/zinc/63/96/95/563639695.db2.gz TZVSKJSOHRVXPA-MSOLQXFVSA-N 2 1 381.973 2.906 20 0 GFADMP COc1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(Br)c1 ZINC000289380304 563673594 /nfs/dbraw/zinc/67/35/94/563673594.db2.gz CHDSHYOSBYWEAL-UHFFFAOYSA-N 2 1 396.373 2.917 20 0 GFADMP COc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Br ZINC000415057128 563757606 /nfs/dbraw/zinc/75/76/06/563757606.db2.gz QYZSVJPFHYXPPC-UHFFFAOYSA-N 2 1 382.346 2.764 20 0 GFADMP C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCC(F)(F)F ZINC000418168895 563900486 /nfs/dbraw/zinc/90/04/86/563900486.db2.gz MMFYRZVJYKYMKQ-RISCZKNCSA-N 2 1 380.842 2.912 20 0 GFADMP C[C@H](C[NH3+])NC(=O)NC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCC(F)(F)F ZINC000418168895 563900488 /nfs/dbraw/zinc/90/04/88/563900488.db2.gz MMFYRZVJYKYMKQ-RISCZKNCSA-N 2 1 380.842 2.912 20 0 GFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451085 564223933 /nfs/dbraw/zinc/22/39/33/564223933.db2.gz VOKRORJGMMNLFU-AEFFLSMTSA-N 2 1 397.357 2.853 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451085 564223935 /nfs/dbraw/zinc/22/39/35/564223935.db2.gz VOKRORJGMMNLFU-AEFFLSMTSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451085 564223937 /nfs/dbraw/zinc/22/39/37/564223937.db2.gz VOKRORJGMMNLFU-AEFFLSMTSA-N 2 1 397.357 2.853 20 0 GFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000472451085 564223939 /nfs/dbraw/zinc/22/39/39/564223939.db2.gz VOKRORJGMMNLFU-AEFFLSMTSA-N 2 1 397.357 2.853 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)c1)OCC2 ZINC000564988720 564260712 /nfs/dbraw/zinc/26/07/12/564260712.db2.gz OQAGSEPXIYSITN-GVDBMIGSSA-N 2 1 381.314 2.631 20 0 GFADMP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000565445116 564280765 /nfs/dbraw/zinc/28/07/65/564280765.db2.gz QBWQTKZGRNWNOZ-HNNXBMFYSA-N 2 1 399.377 2.591 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000513698124 564436432 /nfs/dbraw/zinc/43/64/32/564436432.db2.gz WTRZCRYZNJYWOV-ULQDDVLXSA-N 2 1 380.330 2.641 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000570162275 564494604 /nfs/dbraw/zinc/49/46/04/564494604.db2.gz IKCNLLUTLQEIEZ-KCMWZYNZSA-N 2 1 394.357 2.855 20 0 GFADMP CSCc1cnc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000550155911 564616056 /nfs/dbraw/zinc/61/60/56/564616056.db2.gz FPSKZMIMUIVSIG-UHFFFAOYSA-N 2 1 378.567 2.587 20 0 GFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529203 564743115 /nfs/dbraw/zinc/74/31/15/564743115.db2.gz UIASIPNNMCWUEG-TZMCWYRMSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Br)c(F)c1 ZINC000489529203 564743116 /nfs/dbraw/zinc/74/31/16/564743116.db2.gz UIASIPNNMCWUEG-TZMCWYRMSA-N 2 1 386.309 2.826 20 0 GFADMP C[NH+]1CCC(CCO)([NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000527723440 564758555 /nfs/dbraw/zinc/75/85/55/564758555.db2.gz DPKMLTXTRWVSSJ-UHFFFAOYSA-N 2 1 399.358 2.837 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494008216 564815579 /nfs/dbraw/zinc/81/55/79/564815579.db2.gz VJLQEEFSJNNKMR-CYBMUJFWSA-N 2 1 388.737 2.780 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494008216 564815582 /nfs/dbraw/zinc/81/55/82/564815582.db2.gz VJLQEEFSJNNKMR-CYBMUJFWSA-N 2 1 388.737 2.780 20 0 GFADMP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1(C)C ZINC000583261811 564883788 /nfs/dbraw/zinc/88/37/88/564883788.db2.gz ITJOBBQTXCRBGN-MAUKXSAKSA-N 2 1 398.345 2.982 20 0 GFADMP O=C(CC[N@@H+]1CCC[C@H]1c1cc(F)cc(Br)c1)N1CC[NH2+]CC1 ZINC000584232789 564927026 /nfs/dbraw/zinc/92/70/26/564927026.db2.gz YAXZIALUUDCBTR-INIZCTEOSA-N 2 1 384.293 2.547 20 0 GFADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000533409746 564962021 /nfs/dbraw/zinc/96/20/21/564962021.db2.gz PYJSKAVRCVWRDK-UHFFFAOYSA-N 2 1 383.334 2.835 20 0 GFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000533409746 564962026 /nfs/dbraw/zinc/96/20/26/564962026.db2.gz PYJSKAVRCVWRDK-UHFFFAOYSA-N 2 1 383.334 2.835 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001850 565034447 /nfs/dbraw/zinc/03/44/47/565034447.db2.gz DTKZTYGHOWEVLP-NVXWUHKLSA-N 2 1 394.357 2.696 20 0 GFADMP COCC[NH+]1CCC([NH2+]CCOc2ncc(C(F)(F)F)cc2Cl)CC1 ZINC000536875544 565048126 /nfs/dbraw/zinc/04/81/26/565048126.db2.gz GYELCKLKRBMNJA-UHFFFAOYSA-N 2 1 381.826 2.833 20 0 GFADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000584349437 565076919 /nfs/dbraw/zinc/07/69/19/565076919.db2.gz VBZITOXPZLVCOO-DYVFJYSZSA-N 2 1 380.330 2.528 20 0 GFADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1Cl ZINC000590300470 565183232 /nfs/dbraw/zinc/18/32/32/565183232.db2.gz VFPCMLMDHLVHJP-QGZVFWFLSA-N 2 1 387.977 2.518 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1ccccc1Cl ZINC000590300470 565183235 /nfs/dbraw/zinc/18/32/35/565183235.db2.gz VFPCMLMDHLVHJP-QGZVFWFLSA-N 2 1 387.977 2.518 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000659322485 565213020 /nfs/dbraw/zinc/21/30/20/565213020.db2.gz OFJYFLVZWPBFQX-UHFFFAOYSA-N 2 1 384.343 2.720 20 0 GFADMP CO[C@@]1(C[N@@H+](CCn2ccnc2)Cc2ccc(Br)o2)CCOC1 ZINC000639174452 565230386 /nfs/dbraw/zinc/23/03/86/565230386.db2.gz BUZVIFGSCDNKFH-MRXNPFEDSA-N 2 1 384.274 2.546 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccccc2c1Br ZINC000617505262 565242871 /nfs/dbraw/zinc/24/28/71/565242871.db2.gz ZLCTVJFPCIWEJT-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1[nH]c2ccccc2c1Br ZINC000617505262 565242878 /nfs/dbraw/zinc/24/28/78/565242878.db2.gz ZLCTVJFPCIWEJT-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP Cc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617503802 565242949 /nfs/dbraw/zinc/24/29/49/565242949.db2.gz ZXCUSIPCTJBYDY-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP Cc1ccc(Br)cc1CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617503802 565242956 /nfs/dbraw/zinc/24/29/56/565242956.db2.gz ZXCUSIPCTJBYDY-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(Br)c1F ZINC000617507124 565244112 /nfs/dbraw/zinc/24/41/12/565244112.db2.gz JDSORIKEHYUCCE-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)ccc(Br)c1F ZINC000617507124 565244119 /nfs/dbraw/zinc/24/41/19/565244119.db2.gz JDSORIKEHYUCCE-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP O=C(CC[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662153740 565352611 /nfs/dbraw/zinc/35/26/11/565352611.db2.gz UEKJJRBVWDFQKK-HNNXBMFYSA-N 2 1 386.323 2.853 20 0 GFADMP O=C(CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)Nc1cc(Cl)ccc1Cl ZINC000662153740 565352614 /nfs/dbraw/zinc/35/26/14/565352614.db2.gz UEKJJRBVWDFQKK-HNNXBMFYSA-N 2 1 386.323 2.853 20 0 GFADMP Clc1ccc(CCN2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1Cl ZINC000662278975 565357913 /nfs/dbraw/zinc/35/79/13/565357913.db2.gz CTBFKYHAUASTCO-MRXNPFEDSA-N 2 1 384.351 2.675 20 0 GFADMP O=C(NC1CC[NH+](CC2CC2)CC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662393771 565364262 /nfs/dbraw/zinc/36/42/62/565364262.db2.gz JPJWDORSIRWOSH-UHFFFAOYSA-N 2 1 384.343 2.718 20 0 GFADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662536393 565375892 /nfs/dbraw/zinc/37/58/92/565375892.db2.gz LIJCGZJMRNZJQU-LRDDRELGSA-N 2 1 376.328 2.727 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000662796838 565384497 /nfs/dbraw/zinc/38/44/97/565384497.db2.gz CSGGDSZQVPZPAP-DZKIICNBSA-N 2 1 375.822 2.743 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000662796838 565384502 /nfs/dbraw/zinc/38/45/02/565384502.db2.gz CSGGDSZQVPZPAP-DZKIICNBSA-N 2 1 375.822 2.743 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000641718322 565396374 /nfs/dbraw/zinc/39/63/74/565396374.db2.gz WPKDZCRHBICRQA-UHFFFAOYSA-N 2 1 381.318 2.708 20 0 GFADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2cccc(Br)c2)C1 ZINC000644669175 565488920 /nfs/dbraw/zinc/48/89/20/565488920.db2.gz HDPJXSMUNYKHJY-AWEZNQCLSA-N 2 1 389.359 2.544 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCC(=O)Nc1cccc(Br)c1)CCO2 ZINC000646106200 565586601 /nfs/dbraw/zinc/58/66/01/565586601.db2.gz RTBKOBOTPBAWBD-UHFFFAOYSA-N 2 1 396.329 2.574 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(-c3ccc(Br)cc3Cl)nn2)CC1 ZINC000630587266 565910509 /nfs/dbraw/zinc/91/05/09/565910509.db2.gz XBSAGZFXJSZCPN-UHFFFAOYSA-N 2 1 384.709 2.649 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361696 565924309 /nfs/dbraw/zinc/92/43/09/565924309.db2.gz MQBKAFNWIBRWGK-IMJJTQAJSA-N 2 1 385.961 2.721 20 0 GFADMP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000632869490 566072344 /nfs/dbraw/zinc/07/23/44/566072344.db2.gz MIIQNAMNBOZSFN-SNVBAGLBSA-N 2 1 392.322 2.892 20 0 GFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000737502012 598561943 /nfs/dbraw/zinc/56/19/43/598561943.db2.gz YMYBBPOOPUXXNR-UHFFFAOYSA-N 2 1 389.463 2.740 20 0 GFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809556 599420565 /nfs/dbraw/zinc/42/05/65/599420565.db2.gz OZQKJKBWBKCFNA-IBGZPJMESA-N 2 1 392.507 2.877 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826182454 607527212 /nfs/dbraw/zinc/52/72/12/607527212.db2.gz KGQYAFJGMAMYCG-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000826182454 607527214 /nfs/dbraw/zinc/52/72/14/607527214.db2.gz KGQYAFJGMAMYCG-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCN(C(=O)[O-])CC1 ZINC000828465517 604238315 /nfs/dbraw/zinc/23/83/15/604238315.db2.gz INMBBMSYEAIQSD-UHFFFAOYSA-N 2 1 380.577 2.505 20 0 GFADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCN(C(=O)[O-])CC1 ZINC000828465517 604238318 /nfs/dbraw/zinc/23/83/18/604238318.db2.gz INMBBMSYEAIQSD-UHFFFAOYSA-N 2 1 380.577 2.505 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCC([NH2+]CCOc3ccccc3)CC2)[nH+]1 ZINC000822191028 606126725 /nfs/dbraw/zinc/12/67/25/606126725.db2.gz DZAIKWISYILGCM-UHFFFAOYSA-N 2 1 393.495 2.516 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]4[C@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195645 607030798 /nfs/dbraw/zinc/03/07/98/607030798.db2.gz ZDKOPALDKYNNPH-QAPCUYQASA-N 2 1 377.496 2.952 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2c1 ZINC000822195645 607030800 /nfs/dbraw/zinc/03/08/00/607030800.db2.gz ZDKOPALDKYNNPH-QAPCUYQASA-N 2 1 377.496 2.952 20 0 GFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825966115 608526560 /nfs/dbraw/zinc/52/65/60/608526560.db2.gz OMUGBTHTGQUKMS-UHFFFAOYSA-N 2 1 392.507 2.973 20 0 GFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC000817916521 660211873 /nfs/dbraw/zinc/21/18/73/660211873.db2.gz GYGALLBORQVFSG-CABCVRRESA-N 2 1 380.432 2.609 20 0 GFADMP COc1cc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966565 660212763 /nfs/dbraw/zinc/21/27/63/660212763.db2.gz QCMPYPFADBQQGO-PXAZEXFGSA-N 2 1 376.469 2.732 20 0 GFADMP COc1cc([C@@H](C)[NH2+][C@H](CN)C2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000817980419 660212780 /nfs/dbraw/zinc/21/27/80/660212780.db2.gz ASXBRJKVABYGCO-BXUZGUMPSA-N 2 1 376.469 2.860 20 0 GFADMP COCC[N@@H+](C)CCC[NH2+]C[C@](C)(O)c1ccc(Br)cc1Cl ZINC000818954189 660237917 /nfs/dbraw/zinc/23/79/17/660237917.db2.gz RJRIZXAQTUIXIT-INIZCTEOSA-N 2 1 393.753 2.868 20 0 GFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nc(Br)cs1 ZINC000834566180 660825106 /nfs/dbraw/zinc/82/51/06/660825106.db2.gz FWEBAGBKXVCFCS-GFCCVEGCSA-N 2 1 375.380 2.830 20 0 GFADMP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000178673364 655307798 /nfs/dbraw/zinc/30/77/98/655307798.db2.gz TUBQYBDUZMZGOX-BBRMVZONSA-N 2 1 380.330 2.751 20 0 GFADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000178673350 655307853 /nfs/dbraw/zinc/30/78/53/655307853.db2.gz TUBQYBDUZMZGOX-CJNGLKHVSA-N 2 1 380.330 2.751 20 0 GFADMP C[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCSc2ccc(Br)cc21 ZINC000262006737 655443409 /nfs/dbraw/zinc/44/34/09/655443409.db2.gz FCWWGEZCILESAI-OAHLLOKOSA-N 2 1 398.370 2.740 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1Br ZINC000755832629 655889580 /nfs/dbraw/zinc/88/95/80/655889580.db2.gz OOCSRUIKZWDAAV-OAHLLOKOSA-N 2 1 397.361 2.641 20 0 GFADMP Cc1nn(Cc2ccccc2Cl)c(Cl)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000841106568 661233380 /nfs/dbraw/zinc/23/33/80/661233380.db2.gz CUVZQVWRFLLPMZ-UHFFFAOYSA-N 2 1 383.323 2.832 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2c(cccc2Br)[nH]1 ZINC000855346110 661987093 /nfs/dbraw/zinc/98/70/93/661987093.db2.gz ORPDCUXTGQHVTG-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000876930927 662868392 /nfs/dbraw/zinc/86/83/92/662868392.db2.gz HHDUCDFVAQNGOR-GFCCVEGCSA-N 2 1 375.742 2.613 20 0 GFADMP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000877357367 662874357 /nfs/dbraw/zinc/87/43/57/662874357.db2.gz SCNCVJUIDGBHRY-DVYJOKAKSA-N 2 1 384.229 2.850 20 0 GFADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ncc(Br)cc1O ZINC000892735701 663383378 /nfs/dbraw/zinc/38/33/78/663383378.db2.gz MTKRNLGIMPTURO-UHFFFAOYSA-N 2 1 380.286 2.780 20 0 GFADMP COc1sc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1Br ZINC000904392612 663832307 /nfs/dbraw/zinc/83/23/07/663832307.db2.gz VMENXARNNMODDG-LLVKDONJSA-N 2 1 375.332 2.849 20 0 GFADMP Cc1[nH+]c2c(n1CCO)CC[C@@H]([NH2+]C[C@H](O)c1ccc(Cl)c(Cl)c1)C2 ZINC000905372335 663868263 /nfs/dbraw/zinc/86/82/63/663868263.db2.gz JXBFGXREQGPXBX-ACJLOTCBSA-N 2 1 384.307 2.671 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@H]1C(C)C ZINC000922392174 664598889 /nfs/dbraw/zinc/59/88/89/664598889.db2.gz BYTTVAMGUIYDEX-TVFCKZIOSA-N 2 1 382.346 2.804 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@@H]1C(C)C ZINC000922392177 664598929 /nfs/dbraw/zinc/59/89/29/664598929.db2.gz BYTTVAMGUIYDEX-ZJPYXAASSA-N 2 1 382.346 2.804 20 0 GFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288474 664627582 /nfs/dbraw/zinc/62/75/82/664627582.db2.gz KEOKWXQLVJLAMI-SGMGOOAPSA-N 2 1 391.737 2.901 20 0 GFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923371588 664629074 /nfs/dbraw/zinc/62/90/74/664629074.db2.gz ZFQJITYYNQOIPI-BXUZGUMPSA-N 2 1 379.726 2.805 20 0 GFADMP C[C@@H]1C[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496923 664631323 /nfs/dbraw/zinc/63/13/23/664631323.db2.gz KHQVWGGENKUMBL-TZMCWYRMSA-N 2 1 379.302 2.840 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)CC[C@@H]1C[NH3+] ZINC000923496923 664631324 /nfs/dbraw/zinc/63/13/24/664631324.db2.gz KHQVWGGENKUMBL-TZMCWYRMSA-N 2 1 379.302 2.840 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500491 664631351 /nfs/dbraw/zinc/63/13/51/664631351.db2.gz RLOPHSRDTSOWAY-IJEWVQPXSA-N 2 1 382.346 2.713 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924965445 664664490 /nfs/dbraw/zinc/66/44/90/664664490.db2.gz IHSSCADVXYITIY-KRWDZBQOSA-N 2 1 381.362 2.839 20 0 GFADMP O=C(Nc1cc(Cl)c(Cl)cn1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000926095879 664681588 /nfs/dbraw/zinc/68/15/88/664681588.db2.gz FNEKMULZKHKDQX-BETUJISGSA-N 2 1 384.311 2.821 20 0 GFADMP C[N@@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000926297224 664687115 /nfs/dbraw/zinc/68/71/15/664687115.db2.gz DJTMXOMQKJKQQX-OCZCAGDBSA-N 2 1 376.444 2.539 20 0 GFADMP C[N@H+](C[C@@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922144 677673314 /nfs/dbraw/zinc/67/33/14/677673314.db2.gz OSBWJYWWVBGTCD-LJQANCHMSA-N 2 1 397.357 2.885 20 0 GFADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922144 677673315 /nfs/dbraw/zinc/67/33/15/677673315.db2.gz OSBWJYWWVBGTCD-LJQANCHMSA-N 2 1 397.357 2.885 20 0 GFADMP C[NH+](C[C@@H](O)C[N@H+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922144 677673316 /nfs/dbraw/zinc/67/33/16/677673316.db2.gz OSBWJYWWVBGTCD-LJQANCHMSA-N 2 1 397.357 2.885 20 0 GFADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1cccc(Br)c1)C1CCOCC1)C1CC1 ZINC000578922144 677673317 /nfs/dbraw/zinc/67/33/17/677673317.db2.gz OSBWJYWWVBGTCD-LJQANCHMSA-N 2 1 397.357 2.885 20 0 GFADMP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ncccc1C[NH+]1CCCC1)C2 ZINC001164815220 720198320 /nfs/dbraw/zinc/19/83/20/720198320.db2.gz XDQHSKWZBPZHGI-JTHBVZDNSA-N 2 1 384.568 2.862 20 0 GFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@H]3[C@@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164721694 720361372 /nfs/dbraw/zinc/36/13/72/720361372.db2.gz DARYETJQVZBVEJ-OALUTQOASA-N 2 1 398.942 2.845 20 0 GFADMP Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899557 721514373 /nfs/dbraw/zinc/51/43/73/721514373.db2.gz KVHBNNOMFQLBDH-QUCCMNQESA-N 2 1 397.498 2.866 20 0 GFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)c1ccccc1 ZINC000359959943 209207680 /nfs/dbraw/zinc/20/76/80/209207680.db2.gz NJIXACOBQDWRAB-NRFANRHFSA-N 2 1 386.584 2.556 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150820445 551402112 /nfs/dbraw/zinc/40/21/12/551402112.db2.gz BGNCHRNWXNPYKX-NVXWUHKLSA-N 2 1 383.330 2.607 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150820445 551402114 /nfs/dbraw/zinc/40/21/14/551402114.db2.gz BGNCHRNWXNPYKX-NVXWUHKLSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccc(Br)cc2)C2CC2)CC1 ZINC000180091440 552212858 /nfs/dbraw/zinc/21/28/58/552212858.db2.gz QVJCBDQUNCTJJX-SFHVURJKSA-N 2 1 380.330 2.654 20 0 GFADMP [NH3+][C@H]1CC[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000237891555 553083217 /nfs/dbraw/zinc/08/32/17/553083217.db2.gz JPNYNXHIRSKNPS-HOCLYGCPSA-N 2 1 380.330 2.657 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246128389 553102703 /nfs/dbraw/zinc/10/27/03/553102703.db2.gz BGNCHRNWXNPYKX-RDJZCZTQSA-N 2 1 383.330 2.607 20 0 GFADMP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246128389 553102707 /nfs/dbraw/zinc/10/27/07/553102707.db2.gz BGNCHRNWXNPYKX-RDJZCZTQSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000247460084 553122712 /nfs/dbraw/zinc/12/27/12/553122712.db2.gz QSQNEQOSYWHZCH-GXTWGEPZSA-N 2 1 391.737 2.726 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000247460084 553122714 /nfs/dbraw/zinc/12/27/14/553122714.db2.gz QSQNEQOSYWHZCH-GXTWGEPZSA-N 2 1 391.737 2.726 20 0 GFADMP Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)ccc1Br ZINC000261607072 553153984 /nfs/dbraw/zinc/15/39/84/553153984.db2.gz CWKCNXHNYVTBLH-WMZOPIPTSA-N 2 1 394.357 2.838 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000261864218 553161367 /nfs/dbraw/zinc/16/13/67/553161367.db2.gz KQMOYLCJGMTQCA-CSFVBSKPSA-N 2 1 380.330 2.686 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccc(Br)cc1 ZINC000261864218 553161368 /nfs/dbraw/zinc/16/13/68/553161368.db2.gz KQMOYLCJGMTQCA-CSFVBSKPSA-N 2 1 380.330 2.686 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000262040519 553164600 /nfs/dbraw/zinc/16/46/00/553164600.db2.gz YGXKRAMEKSXBLI-FHLIZLRMSA-N 2 1 394.357 2.845 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@@H]21 ZINC000262040519 553164601 /nfs/dbraw/zinc/16/46/01/553164601.db2.gz YGXKRAMEKSXBLI-FHLIZLRMSA-N 2 1 394.357 2.845 20 0 GFADMP FC(F)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262083987 553165170 /nfs/dbraw/zinc/16/51/70/553165170.db2.gz FSTAVAZADCEPGL-CYBMUJFWSA-N 2 1 390.272 2.530 20 0 GFADMP FC(F)Oc1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1Br ZINC000262083987 553165173 /nfs/dbraw/zinc/16/51/73/553165173.db2.gz FSTAVAZADCEPGL-CYBMUJFWSA-N 2 1 390.272 2.530 20 0 GFADMP C[N@H+](CCn1cc(Br)cn1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420967936 563291948 /nfs/dbraw/zinc/29/19/48/563291948.db2.gz UXZIGMQOTFCONF-UHFFFAOYSA-N 2 1 393.329 2.610 20 0 GFADMP C[N@@H+](CCn1cc(Br)cn1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420967936 563291952 /nfs/dbraw/zinc/29/19/52/563291952.db2.gz UXZIGMQOTFCONF-UHFFFAOYSA-N 2 1 393.329 2.610 20 0 GFADMP O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3cc[nH+]c4cc(Cl)ccc43)CC2)C1 ZINC000373796382 563351314 /nfs/dbraw/zinc/35/13/14/563351314.db2.gz UJCCGVSPMSQDPG-OAHLLOKOSA-N 2 1 379.913 2.634 20 0 GFADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1c[nH+]ccc1N ZINC000423167192 563357613 /nfs/dbraw/zinc/35/76/13/563357613.db2.gz DSJMEFVTNHKVEU-YPMHNXCESA-N 2 1 382.277 2.898 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000429373083 563515578 /nfs/dbraw/zinc/51/55/78/563515578.db2.gz QEXFSYPKYDIYAH-SFHVURJKSA-N 2 1 394.357 2.826 20 0 GFADMP Cc1cc(Br)ccc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000395161366 563531140 /nfs/dbraw/zinc/53/11/40/563531140.db2.gz UGXXHCXKQISJBT-QAPCUYQASA-N 2 1 394.357 2.838 20 0 GFADMP Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000363640211 563729339 /nfs/dbraw/zinc/72/93/39/563729339.db2.gz VXZVJFFHNNOJGE-UHFFFAOYSA-N 2 1 385.599 2.531 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753343 563751915 /nfs/dbraw/zinc/75/19/15/563751915.db2.gz MAIIGZZKJMSBHZ-CXAGYDPISA-N 2 1 398.320 2.922 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000366220274 563802093 /nfs/dbraw/zinc/80/20/93/563802093.db2.gz UJTCHIRNSGUNLK-KBRIMQKVSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366220274 563802097 /nfs/dbraw/zinc/80/20/97/563802097.db2.gz UJTCHIRNSGUNLK-KBRIMQKVSA-N 2 1 396.329 2.619 20 0 GFADMP Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000366288045 563803967 /nfs/dbraw/zinc/80/39/67/563803967.db2.gz IOCDIICOWICXKJ-CQSZACIVSA-N 2 1 380.330 2.656 20 0 GFADMP Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000366288045 563803971 /nfs/dbraw/zinc/80/39/71/563803971.db2.gz IOCDIICOWICXKJ-CQSZACIVSA-N 2 1 380.330 2.656 20 0 GFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556122 563882785 /nfs/dbraw/zinc/88/27/85/563882785.db2.gz FBSXEROLLYAINV-LALPHHSUSA-N 2 1 378.460 2.927 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556122 563882787 /nfs/dbraw/zinc/88/27/87/563882787.db2.gz FBSXEROLLYAINV-LALPHHSUSA-N 2 1 378.460 2.927 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1oc(Br)cc1C ZINC000505808083 564191050 /nfs/dbraw/zinc/19/10/50/564191050.db2.gz UZBWXTHHZFPCBH-AWEZNQCLSA-N 2 1 386.334 2.839 20 0 GFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683855 564195660 /nfs/dbraw/zinc/19/56/60/564195660.db2.gz OCSNFWJKCYRKCQ-XHSDSOJGSA-N 2 1 385.321 2.956 20 0 GFADMP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000564086045 564219481 /nfs/dbraw/zinc/21/94/81/564219481.db2.gz WQLDIUUPKWDGSD-JLZZUVOBSA-N 2 1 396.329 2.604 20 0 GFADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)COc1ccc(Br)cc1 ZINC000565476808 564282991 /nfs/dbraw/zinc/28/29/91/564282991.db2.gz POGOYPCIVASKRL-JCYILVPMSA-N 2 1 383.330 2.795 20 0 GFADMP Brc1cccc(Cc2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)c1 ZINC000567735327 564386665 /nfs/dbraw/zinc/38/66/65/564386665.db2.gz FOQLRIUJPHFVDW-GASCZTMLSA-N 2 1 391.313 2.854 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc3c(c(Br)c2)OCO3)CC1 ZINC000567871208 564393848 /nfs/dbraw/zinc/39/38/48/564393848.db2.gz ZQSJOPUCRKTSEB-ZBFHGGJFSA-N 2 1 383.286 2.506 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000570162274 564494424 /nfs/dbraw/zinc/49/44/24/564494424.db2.gz IKCNLLUTLQEIEZ-HUHSQHJXSA-N 2 1 394.357 2.855 20 0 GFADMP C[NH+](C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279933 564509355 /nfs/dbraw/zinc/50/93/55/564509355.db2.gz ZCNKKMDUFDJORI-FUHWJXTLSA-N 2 1 384.977 2.679 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2conc2C(C)(C)[NH3+])cc1Br ZINC000517391985 564532801 /nfs/dbraw/zinc/53/28/01/564532801.db2.gz YQUGBJCBVUQLES-UHFFFAOYSA-N 2 1 381.274 2.945 20 0 GFADMP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000571323203 564546724 /nfs/dbraw/zinc/54/67/24/564546724.db2.gz UHMSNXBSDFNLBY-OAHLLOKOSA-N 2 1 399.377 2.591 20 0 GFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1OC ZINC000571443473 564552051 /nfs/dbraw/zinc/55/20/51/564552051.db2.gz PYCSLOFXVDLRJR-AWEZNQCLSA-N 2 1 399.329 2.654 20 0 GFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Br)c1OC ZINC000571443473 564552055 /nfs/dbraw/zinc/55/20/55/564552055.db2.gz PYCSLOFXVDLRJR-AWEZNQCLSA-N 2 1 399.329 2.654 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000552275874 564684701 /nfs/dbraw/zinc/68/47/01/564684701.db2.gz CQLLNIGEPABDRU-FSDCSDTHSA-N 2 1 383.330 2.651 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)cc(Br)c1 ZINC000528337677 564778350 /nfs/dbraw/zinc/77/83/50/564778350.db2.gz SFCSJLQUGNOXLS-MRXNPFEDSA-N 2 1 398.345 2.643 20 0 GFADMP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC[NH2+]1 ZINC000580895341 564778591 /nfs/dbraw/zinc/77/85/91/564778591.db2.gz RLXXVCCCFBJNGE-SFHVURJKSA-N 2 1 380.330 2.672 20 0 GFADMP COc1c(Br)cccc1C[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000556890024 564845231 /nfs/dbraw/zinc/84/52/31/564845231.db2.gz SRFLRNASDKDQFB-UHFFFAOYSA-N 2 1 398.345 2.540 20 0 GFADMP CN(C)CC[N@@H+](C)CCCN(C)CC(=O)Nc1cc(Cl)ccc1Cl ZINC000582509673 564849459 /nfs/dbraw/zinc/84/94/59/564849459.db2.gz LKPYRNYQKUHENI-UHFFFAOYSA-N 2 1 375.344 2.747 20 0 GFADMP CN(CCCN(C)CC(=O)Nc1cc(Cl)ccc1Cl)CC[NH+](C)C ZINC000582509673 564849462 /nfs/dbraw/zinc/84/94/62/564849462.db2.gz LKPYRNYQKUHENI-UHFFFAOYSA-N 2 1 375.344 2.747 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000463685448 564886975 /nfs/dbraw/zinc/88/69/75/564886975.db2.gz SBERULFVQILBAB-CQSZACIVSA-N 2 1 391.940 2.516 20 0 GFADMP [NH3+]CCCOC1CC[NH+](Cc2cc3c(cc2Br)OCCCO3)CC1 ZINC000584292405 564929750 /nfs/dbraw/zinc/92/97/50/564929750.db2.gz POEYRCILHZHREB-UHFFFAOYSA-N 2 1 399.329 2.940 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@@H](C)C1 ZINC000470180571 565040412 /nfs/dbraw/zinc/04/04/12/565040412.db2.gz PDWRTZGPBCVFKA-YOEHRIQHSA-N 2 1 382.346 2.889 20 0 GFADMP Brc1cnc2c(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)cnn2c1 ZINC000638184590 565187439 /nfs/dbraw/zinc/18/74/39/565187439.db2.gz YSDHNAWZSQETBD-DYVFJYSZSA-N 2 1 390.329 2.941 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505968 565372743 /nfs/dbraw/zinc/37/27/43/565372743.db2.gz WRHNBMVODLPKSI-VHSSKADRSA-N 2 1 392.341 2.924 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505968 565372746 /nfs/dbraw/zinc/37/27/46/565372746.db2.gz WRHNBMVODLPKSI-VHSSKADRSA-N 2 1 392.341 2.924 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1Br ZINC000662534943 565374504 /nfs/dbraw/zinc/37/45/04/565374504.db2.gz HHMHBFJLSATOOI-LLVKDONJSA-N 2 1 392.301 2.563 20 0 GFADMP CC(C)C[NH+]1CCC(NC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662525717 565374626 /nfs/dbraw/zinc/37/46/26/565374626.db2.gz XFEUDPKNMWJDHB-UHFFFAOYSA-N 2 1 386.359 2.964 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)cc1Br ZINC000662796631 565384861 /nfs/dbraw/zinc/38/48/61/565384861.db2.gz PAXIWAKXBSUSES-AWEZNQCLSA-N 2 1 394.235 2.991 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363325 565415105 /nfs/dbraw/zinc/41/51/05/565415105.db2.gz JEXMQVGINZKUDN-GJZGRUSLSA-N 2 1 389.323 2.576 20 0 GFADMP CN1CCN(C(=O)CN[C@@H]2CCCSc3ccc(Br)cc32)CC1 ZINC000663438155 565421817 /nfs/dbraw/zinc/42/18/17/565421817.db2.gz FVBJIPCDSRJNIG-OAHLLOKOSA-N 2 1 398.370 2.740 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccnc(-c2ccc(Br)cc2)n1 ZINC000629571058 565860864 /nfs/dbraw/zinc/86/08/64/565860864.db2.gz GJBWYGPOEUAFNS-UHFFFAOYSA-N 2 1 379.302 2.574 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)c(Br)c2)CC1 ZINC000608117208 566004427 /nfs/dbraw/zinc/00/44/27/566004427.db2.gz VJWMPBHERPIXLM-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP Cc1cc(C)c(-c2nn[nH]n2)c(NCc2ccc(OCCC[NH+](C)C)cc2)[nH+]1 ZINC000737240548 598674347 /nfs/dbraw/zinc/67/43/47/598674347.db2.gz LJLJTJHSEUCUNZ-UHFFFAOYSA-N 2 1 381.484 2.821 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@@H](C)C1 ZINC000825593763 608512528 /nfs/dbraw/zinc/51/25/28/608512528.db2.gz DBOTUYDMMXFZRL-NDXORKPFSA-N 2 1 398.555 2.971 20 0 GFADMP COCC[N@@H+](C)CCC[NH2+]C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC000818954190 660237910 /nfs/dbraw/zinc/23/79/10/660237910.db2.gz RJRIZXAQTUIXIT-MRXNPFEDSA-N 2 1 393.753 2.868 20 0 GFADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(I)c1OC ZINC000063319231 654852058 /nfs/dbraw/zinc/85/20/58/654852058.db2.gz QEZOFTKCJPZOGT-LLVKDONJSA-N 2 1 392.281 2.738 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000103500531 655073956 /nfs/dbraw/zinc/07/39/56/655073956.db2.gz PJOBDYJMYLJHEI-HNNXBMFYSA-N 2 1 384.307 2.899 20 0 GFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000155691548 655086592 /nfs/dbraw/zinc/08/65/92/655086592.db2.gz CHPCDLGWAKICHP-XJKSGUPXSA-N 2 1 398.345 2.783 20 0 GFADMP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]cc2Br)c1 ZINC000274832510 655203725 /nfs/dbraw/zinc/20/37/25/655203725.db2.gz SUBMRAIUDIXXFE-UHFFFAOYSA-N 2 1 377.286 2.748 20 0 GFADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)ccc1S(=O)(=O)C(F)F ZINC000178413478 655303267 /nfs/dbraw/zinc/30/32/67/655303267.db2.gz DYCSSOWOZQYPTD-CYBMUJFWSA-N 2 1 376.469 2.828 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261931941 655443061 /nfs/dbraw/zinc/44/30/61/655443061.db2.gz LQAMIZNTLOSLKX-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261931941 655443062 /nfs/dbraw/zinc/44/30/62/655443062.db2.gz LQAMIZNTLOSLKX-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)C1 ZINC000579857751 655505093 /nfs/dbraw/zinc/50/50/93/655505093.db2.gz HFWMDFBIGHZTCG-CQSZACIVSA-N 2 1 397.361 2.727 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624552 655599342 /nfs/dbraw/zinc/59/93/42/655599342.db2.gz QYGIPTUKCKPFBD-KRWDZBQOSA-N 2 1 384.659 2.687 20 0 GFADMP Ic1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841088123 661231820 /nfs/dbraw/zinc/23/18/20/661231820.db2.gz YDAVPOMYHVJTNV-UHFFFAOYSA-N 2 1 399.320 2.597 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(Br)ccc1C ZINC000786863563 657476478 /nfs/dbraw/zinc/47/64/78/657476478.db2.gz GIHDYCFMYATEDU-HNNXBMFYSA-N 2 1 397.361 2.641 20 0 GFADMP O=C1[C@@H]([N@H+]2CCC3(C2)CC[NH2+]CC3)CCN1c1cccc(Br)c1 ZINC000843364554 661378857 /nfs/dbraw/zinc/37/88/57/661378857.db2.gz HHWQAYIJRCWHFL-INIZCTEOSA-N 2 1 378.314 2.630 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900945 661448412 /nfs/dbraw/zinc/44/84/12/661448412.db2.gz BZRQBXIQIJGSDY-FMKPAKJESA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900945 661448414 /nfs/dbraw/zinc/44/84/14/661448414.db2.gz BZRQBXIQIJGSDY-FMKPAKJESA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900948 661448424 /nfs/dbraw/zinc/44/84/24/661448424.db2.gz BZRQBXIQIJGSDY-IIAWOOMASA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900948 661448426 /nfs/dbraw/zinc/44/84/26/661448426.db2.gz BZRQBXIQIJGSDY-IIAWOOMASA-N 2 1 393.329 2.815 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)Oc1ccc(Br)cc1 ZINC000849088011 661691581 /nfs/dbraw/zinc/69/15/81/661691581.db2.gz NGGFZPOZNVOQDB-DZGCQCFKSA-N 2 1 383.334 2.815 20 0 GFADMP O=C(CC[NH2+]CC1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000870907209 662707777 /nfs/dbraw/zinc/70/77/77/662707777.db2.gz IKZQFOAKMZXAKT-UHFFFAOYSA-N 2 1 394.357 2.919 20 0 GFADMP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872148039 662756691 /nfs/dbraw/zinc/75/66/91/662756691.db2.gz HFEFTDFDZCQNOZ-WDEREUQCSA-N 2 1 394.235 2.847 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872148039 662756693 /nfs/dbraw/zinc/75/66/93/662756693.db2.gz HFEFTDFDZCQNOZ-WDEREUQCSA-N 2 1 394.235 2.847 20 0 GFADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc(Cl)ccc1Br ZINC000877405163 662875629 /nfs/dbraw/zinc/87/56/29/662875629.db2.gz JEUFEEOPQVYMHK-GFCCVEGCSA-N 2 1 375.742 2.613 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287400 662893154 /nfs/dbraw/zinc/89/31/54/662893154.db2.gz AYPGDCVHJSLMPN-VSZNYVQBSA-N 2 1 383.330 2.666 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883377306 663054263 /nfs/dbraw/zinc/05/42/63/663054263.db2.gz DQCQBMFTMBGSSZ-VYDXJSESSA-N 2 1 378.314 2.919 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000883377306 663054264 /nfs/dbraw/zinc/05/42/64/663054264.db2.gz DQCQBMFTMBGSSZ-VYDXJSESSA-N 2 1 378.314 2.919 20 0 GFADMP CC(=O)Nc1cc(Br)ccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000892002896 663358284 /nfs/dbraw/zinc/35/82/84/663358284.db2.gz CFKUACBSPYUWJG-UHFFFAOYSA-N 2 1 398.345 2.950 20 0 GFADMP CC(C)([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000903902919 663810698 /nfs/dbraw/zinc/81/06/98/663810698.db2.gz PRKAYEKJFMJTBA-CYBMUJFWSA-N 2 1 378.318 2.990 20 0 GFADMP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389650 664598515 /nfs/dbraw/zinc/59/85/15/664598515.db2.gz IWNZNCHJSVRWEB-SIXLDLHFSA-N 2 1 386.309 2.553 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ncc(Br)cc1F)C2 ZINC000922389650 664598516 /nfs/dbraw/zinc/59/85/16/664598516.db2.gz IWNZNCHJSVRWEB-SIXLDLHFSA-N 2 1 386.309 2.553 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000923423932 664630178 /nfs/dbraw/zinc/63/01/78/664630178.db2.gz CUHMVZILWBKTDL-USWWRNFRSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@@H]1C(F)(F)F ZINC000923423932 664630180 /nfs/dbraw/zinc/63/01/80/664630180.db2.gz CUHMVZILWBKTDL-USWWRNFRSA-N 2 1 387.229 2.802 20 0 GFADMP Cc1ccc(Br)cc1NC(=O)CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925598832 664673428 /nfs/dbraw/zinc/67/34/28/664673428.db2.gz MSYXIGGHJASBEM-BAAZUTBUSA-N 2 1 378.314 2.672 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(n3cc(Br)cn3)CC2)[C@@H](C)C1 ZINC000927008119 664702193 /nfs/dbraw/zinc/70/21/93/664702193.db2.gz NBRORGKMAFRTLW-RDJZCZTQSA-N 2 1 399.377 2.861 20 0 GFADMP C[NH+](C)Cc1ccc(NC(=O)COC2CC[NH+](C)CC2)cc1Br ZINC000935573720 664971132 /nfs/dbraw/zinc/97/11/32/664971132.db2.gz XPVMZRXPTAXART-UHFFFAOYSA-N 2 1 384.318 2.560 20 0 GFADMP [NH3+][C@@H]1[C@H]2CN(c3nc(C[NH+]4CCCCC4)nc4sc5c(c43)CCCC5)C[C@H]21 ZINC001164440719 718986335 /nfs/dbraw/zinc/98/63/35/718986335.db2.gz RGQQHFHVOCBMES-QWHZDKJVSA-N 2 1 383.565 2.949 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)n1 ZINC001164673189 719443804 /nfs/dbraw/zinc/44/38/04/719443804.db2.gz STRVFGMHRVVJBD-HOTGVXAUSA-N 2 1 389.569 2.669 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)n1 ZINC001164673189 719443807 /nfs/dbraw/zinc/44/38/07/719443807.db2.gz STRVFGMHRVVJBD-HOTGVXAUSA-N 2 1 389.569 2.669 20 0 GFADMP CSc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(SC)n1 ZINC001164680287 719652175 /nfs/dbraw/zinc/65/21/75/719652175.db2.gz DYJRTLPCPOXBGD-UHFFFAOYSA-N 2 1 378.571 2.592 20 0 GFADMP CSc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(SC)n1 ZINC001164680287 719652179 /nfs/dbraw/zinc/65/21/79/719652179.db2.gz DYJRTLPCPOXBGD-UHFFFAOYSA-N 2 1 378.571 2.592 20 0 GFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1cc(OC)cc[nH+]1)CC2 ZINC001164711523 720096223 /nfs/dbraw/zinc/09/62/23/720096223.db2.gz QGWMDPUYRVXZMV-LJQANCHMSA-N 2 1 382.508 2.993 20 0 GFADMP COc1cc2c[nH+]c(N3Cc4nccn4C[C@H](C[NH+](C)C)C3)cc2cc1OC ZINC001164735180 720526962 /nfs/dbraw/zinc/52/69/62/720526962.db2.gz VTGCEKAZARKQCA-HNNXBMFYSA-N 2 1 381.480 2.647 20 0 GFADMP COc1cc[nH+]c(N2CCC[C@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777670 721334518 /nfs/dbraw/zinc/33/45/18/721334518.db2.gz PDBHPOXNUKDBGY-NRFANRHFSA-N 2 1 386.496 2.814 20 0 GFADMP COc1cc[nH+]c(N2CCC[C@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777670 721334524 /nfs/dbraw/zinc/33/45/24/721334524.db2.gz PDBHPOXNUKDBGY-NRFANRHFSA-N 2 1 386.496 2.814 20 0 GFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@@H]21 ZINC001165024914 721813699 /nfs/dbraw/zinc/81/36/99/721813699.db2.gz LGSISWKMCGFVRW-BPQIPLTHSA-N 2 1 393.491 2.544 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@@H]21 ZINC001165024914 721813701 /nfs/dbraw/zinc/81/37/01/721813701.db2.gz LGSISWKMCGFVRW-BPQIPLTHSA-N 2 1 393.491 2.544 20 0 GFADMP Clc1nc2c(c(N3CCC4(CC[N@@H+](Cc5cccnc5)C4)CC3)n1)CC[NH2+]C2 ZINC001164953838 722013744 /nfs/dbraw/zinc/01/37/44/722013744.db2.gz GXINZDBBVDGEIT-UHFFFAOYSA-N 2 1 398.942 2.663 20 0 GFADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCCOc2ccc3ccccc3c2)CC1 ZINC000359997047 209211414 /nfs/dbraw/zinc/21/14/14/209211414.db2.gz IOHWNAZYEFLCPZ-UHFFFAOYSA-N 2 1 384.520 2.768 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110102035 551202709 /nfs/dbraw/zinc/20/27/09/551202709.db2.gz NIHYCOCWEMMRMA-OAHLLOKOSA-N 2 1 391.940 2.516 20 0 GFADMP O=C(NCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450153 551631729 /nfs/dbraw/zinc/63/17/29/551631729.db2.gz AMFIEPLZTPHHJU-DLBZAZTESA-N 2 1 380.330 2.785 20 0 GFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@H](C)C1 ZINC000190000695 552485136 /nfs/dbraw/zinc/48/51/36/552485136.db2.gz VCNSHXPPZJCDJH-ZBFHGGJFSA-N 2 1 387.977 2.744 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@H](C)C1 ZINC000190000695 552485138 /nfs/dbraw/zinc/48/51/38/552485138.db2.gz VCNSHXPPZJCDJH-ZBFHGGJFSA-N 2 1 387.977 2.744 20 0 GFADMP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCCC1 ZINC000237907049 553084189 /nfs/dbraw/zinc/08/41/89/553084189.db2.gz ILHFPOYLVBSBCF-UHFFFAOYSA-N 2 1 380.330 2.801 20 0 GFADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CCSc2cc(Cl)ccc2Cl)C1 ZINC000261653348 553155088 /nfs/dbraw/zinc/15/50/88/553155088.db2.gz FQEODZXWPZZHID-LBPRGKRZSA-N 2 1 376.353 2.872 20 0 GFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1Br ZINC000261775761 553159259 /nfs/dbraw/zinc/15/92/59/553159259.db2.gz XKYIOGPPJDUPSV-WMZOPIPTSA-N 2 1 394.357 2.838 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261970165 553163615 /nfs/dbraw/zinc/16/36/15/553163615.db2.gz YWQXSCBPFVYYCR-WMLDXEAASA-N 2 1 380.330 2.529 20 0 GFADMP C[C@@H](C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])c1cccc(Br)c1 ZINC000262034357 553164700 /nfs/dbraw/zinc/16/47/00/553164700.db2.gz OJFRIODNRLYNDG-YOEHRIQHSA-N 2 1 382.346 2.872 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427099638 563459737 /nfs/dbraw/zinc/45/97/37/563459737.db2.gz IJNOOZGUVCDMHW-CZUORRHYSA-N 2 1 386.277 2.744 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161696 563357963 /nfs/dbraw/zinc/35/79/63/563357963.db2.gz OCKQVIVGUOYHPS-KEYYUXOJSA-N 2 1 385.346 2.729 20 0 GFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425404648 563420499 /nfs/dbraw/zinc/42/04/99/563420499.db2.gz JZGRNXJSHJZSNT-UHFFFAOYSA-N 2 1 387.615 2.942 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)s2)CC1 ZINC000425404648 563420502 /nfs/dbraw/zinc/42/05/02/563420502.db2.gz JZGRNXJSHJZSNT-UHFFFAOYSA-N 2 1 387.615 2.942 20 0 GFADMP Cc1cc(CC(C)(C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)ccc1Br ZINC000429233596 563512241 /nfs/dbraw/zinc/51/22/41/563512241.db2.gz DZGANZYWODDVCL-UHFFFAOYSA-N 2 1 396.373 2.832 20 0 GFADMP C[C@@H](c1ccc(Br)cc1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430637940 563546685 /nfs/dbraw/zinc/54/66/85/563546685.db2.gz DSVKLVSPPXVDHO-HOCLYGCPSA-N 2 1 380.330 2.654 20 0 GFADMP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cc1Cl ZINC000332456767 563599660 /nfs/dbraw/zinc/59/96/60/563599660.db2.gz HMVHVEBXEKWQLT-UHFFFAOYSA-N 2 1 385.961 2.732 20 0 GFADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201648 563623804 /nfs/dbraw/zinc/62/38/04/563623804.db2.gz XYOHGCIPWPDACA-DOTOQJQBSA-N 2 1 393.329 2.815 20 0 GFADMP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000333856331 563643688 /nfs/dbraw/zinc/64/36/88/563643688.db2.gz OSUVMGJZCKULGW-CJNGLKHVSA-N 2 1 384.307 2.632 20 0 GFADMP O=C(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)Nc1ccc(Cl)c(Cl)c1 ZINC000333856331 563643693 /nfs/dbraw/zinc/64/36/93/563643693.db2.gz OSUVMGJZCKULGW-CJNGLKHVSA-N 2 1 384.307 2.632 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289473941 563675187 /nfs/dbraw/zinc/67/51/87/563675187.db2.gz JIBNAHCJGRTPRA-ZDUSSCGKSA-N 2 1 389.301 2.961 20 0 GFADMP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000289760658 563685946 /nfs/dbraw/zinc/68/59/46/563685946.db2.gz JWQWPEJBPFFEHA-UHFFFAOYSA-N 2 1 398.345 2.856 20 0 GFADMP [NH3+]C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417561328 563883331 /nfs/dbraw/zinc/88/33/31/563883331.db2.gz AWCOYPAFMCXZNW-AWEZNQCLSA-N 2 1 385.339 2.948 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3c2cccc3Br)CC1 ZINC000538101499 564182548 /nfs/dbraw/zinc/18/25/48/564182548.db2.gz SQPHXEOHGGRSEF-GOSISDBHSA-N 2 1 394.357 2.969 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1Br ZINC000449826286 564204951 /nfs/dbraw/zinc/20/49/51/564204951.db2.gz RNLNVUMWORVKNK-ZDUSSCGKSA-N 2 1 388.375 2.999 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(Cl)ccc1C ZINC000508075391 564253098 /nfs/dbraw/zinc/25/30/98/564253098.db2.gz INCUEIMKCTVPKJ-KRWDZBQOSA-N 2 1 387.977 2.685 20 0 GFADMP C[C@H]1CC[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000565545675 564285508 /nfs/dbraw/zinc/28/55/08/564285508.db2.gz WXBYMFPCOUPDRC-KBXCAEBGSA-N 2 1 394.357 2.918 20 0 GFADMP C[C@H]1CC[NH2+][C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000565545682 564285587 /nfs/dbraw/zinc/28/55/87/564285587.db2.gz WXBYMFPCOUPDRC-KSSFIOAISA-N 2 1 394.357 2.918 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCc3ccc(Br)cc32)CC1 ZINC000510693740 564344301 /nfs/dbraw/zinc/34/43/01/564344301.db2.gz CPCXMIPICRUAQK-GOSISDBHSA-N 2 1 394.357 2.969 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)Cc2ccc(Br)cc2)CC1 ZINC000514074547 564445969 /nfs/dbraw/zinc/44/59/69/564445969.db2.gz QADNHSSSDQQDKD-UHFFFAOYSA-N 2 1 382.346 2.524 20 0 GFADMP CC[NH2+]CCCNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000517225348 564528402 /nfs/dbraw/zinc/52/84/02/564528402.db2.gz DMOCHYNSDKBNEJ-UHFFFAOYSA-N 2 1 397.361 2.712 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1Br ZINC000520507594 564606264 /nfs/dbraw/zinc/60/62/64/564606264.db2.gz IDDGJWNGSWGKNX-KRWDZBQOSA-N 2 1 396.373 2.866 20 0 GFADMP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550434166 564623943 /nfs/dbraw/zinc/62/39/43/564623943.db2.gz PCABNJTZVXHBKA-GOSISDBHSA-N 2 1 387.977 2.518 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000550434166 564623946 /nfs/dbraw/zinc/62/39/46/564623946.db2.gz PCABNJTZVXHBKA-GOSISDBHSA-N 2 1 387.977 2.518 20 0 GFADMP Brc1ccccc1-c1cnc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000581946842 564823469 /nfs/dbraw/zinc/82/34/69/564823469.db2.gz FBGDEGJTLGPBMW-CQSZACIVSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1ccccc1-c1cnc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000581946842 564823472 /nfs/dbraw/zinc/82/34/72/564823472.db2.gz FBGDEGJTLGPBMW-CQSZACIVSA-N 2 1 391.313 2.584 20 0 GFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225927 564881072 /nfs/dbraw/zinc/88/10/72/564881072.db2.gz GYYOMRXPWFGNIZ-AEFFLSMTSA-N 2 1 378.314 2.964 20 0 GFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4cc(Br)ccc4[nH]c32)C1 ZINC000583225927 564881076 /nfs/dbraw/zinc/88/10/76/564881076.db2.gz GYYOMRXPWFGNIZ-AEFFLSMTSA-N 2 1 378.314 2.964 20 0 GFADMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312059 564929716 /nfs/dbraw/zinc/92/97/16/564929716.db2.gz NUWZJPRQEWOIRE-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312059 564929720 /nfs/dbraw/zinc/92/97/20/564929720.db2.gz NUWZJPRQEWOIRE-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312059 564929724 /nfs/dbraw/zinc/92/97/24/564929724.db2.gz NUWZJPRQEWOIRE-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312059 564929728 /nfs/dbraw/zinc/92/97/28/564929728.db2.gz NUWZJPRQEWOIRE-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000584349438 565076969 /nfs/dbraw/zinc/07/69/69/565076969.db2.gz VBZITOXPZLVCOO-GUYCJALGSA-N 2 1 380.330 2.528 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCc1ccc(Br)cc1 ZINC000617505572 565242328 /nfs/dbraw/zinc/24/23/28/565242328.db2.gz INGRISZKJGNIPD-HNNXBMFYSA-N 2 1 384.362 2.770 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCc1ccc(Br)cc1 ZINC000617505572 565242330 /nfs/dbraw/zinc/24/23/30/565242330.db2.gz INGRISZKJGNIPD-HNNXBMFYSA-N 2 1 384.362 2.770 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000617503782 565242972 /nfs/dbraw/zinc/24/29/72/565242972.db2.gz YYHFOAQUSGQPJQ-ZDUSSCGKSA-N 2 1 376.328 2.760 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1ccc(Cl)cc1Cl ZINC000617503782 565242977 /nfs/dbraw/zinc/24/29/77/565242977.db2.gz YYHFOAQUSGQPJQ-ZDUSSCGKSA-N 2 1 376.328 2.760 20 0 GFADMP Cc1ccc(CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000617506917 565244664 /nfs/dbraw/zinc/24/46/64/565244664.db2.gz CFQUGIFPRZNKCM-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP Cc1ccc(CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000617506917 565244670 /nfs/dbraw/zinc/24/46/70/565244670.db2.gz CFQUGIFPRZNKCM-HNNXBMFYSA-N 2 1 384.362 2.688 20 0 GFADMP COc1cc(Br)c(OCC[N@@H+](C)CCC[NH3+])cc1Br ZINC000592473624 565278816 /nfs/dbraw/zinc/27/88/16/565278816.db2.gz IYWNBPIPSCJMCL-UHFFFAOYSA-N 2 1 396.123 2.880 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)c1ccccc1Br ZINC000662504119 565372846 /nfs/dbraw/zinc/37/28/46/565372846.db2.gz QGWFYFDERXWAGV-KRWDZBQOSA-N 2 1 380.330 2.926 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1Br ZINC000662523351 565375087 /nfs/dbraw/zinc/37/50/87/565375087.db2.gz PWQPZVXDMVBIES-ZQIUZPCESA-N 2 1 380.330 2.687 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662698560 565381911 /nfs/dbraw/zinc/38/19/11/565381911.db2.gz SBXLIQAAVNQMEM-LLVKDONJSA-N 2 1 384.343 2.814 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004131 565391747 /nfs/dbraw/zinc/39/17/47/565391747.db2.gz PNZQMMDOBGHQID-RHSMWYFYSA-N 2 1 380.330 2.687 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1ccccc1Br ZINC000663004131 565391752 /nfs/dbraw/zinc/39/17/52/565391752.db2.gz PNZQMMDOBGHQID-RHSMWYFYSA-N 2 1 380.330 2.687 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000643083070 565421033 /nfs/dbraw/zinc/42/10/33/565421033.db2.gz QABIMLNVDYDQMR-GOEBONIOSA-N 2 1 385.961 2.578 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632305 565486741 /nfs/dbraw/zinc/48/67/41/565486741.db2.gz WIYPOGKDEVDGBV-HUUCEWRRSA-N 2 1 391.339 2.824 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000665638927 565506799 /nfs/dbraw/zinc/50/67/99/565506799.db2.gz HACHEWOVTMDRGS-LBPRGKRZSA-N 2 1 382.559 2.660 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1nnc(-c2ccsc2)s1 ZINC000665638927 565506804 /nfs/dbraw/zinc/50/68/04/565506804.db2.gz HACHEWOVTMDRGS-LBPRGKRZSA-N 2 1 382.559 2.660 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(F)cncc1Br ZINC000668160280 565629527 /nfs/dbraw/zinc/62/95/27/565629527.db2.gz XVZRMHFKBUPASG-CQSZACIVSA-N 2 1 387.341 2.831 20 0 GFADMP C[NH2+]CCOCC[N@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000629570865 565859531 /nfs/dbraw/zinc/85/95/31/565859531.db2.gz GKNNOFZQACXSDF-KRWDZBQOSA-N 2 1 388.339 2.825 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)CC(=O)N1CCC[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000629570865 565859540 /nfs/dbraw/zinc/85/95/40/565859540.db2.gz GKNNOFZQACXSDF-KRWDZBQOSA-N 2 1 388.339 2.825 20 0 GFADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631042983 565934795 /nfs/dbraw/zinc/93/47/95/565934795.db2.gz YUXLCRXDNVYFBJ-LBPRGKRZSA-N 2 1 375.742 2.613 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699928 566082791 /nfs/dbraw/zinc/08/27/91/566082791.db2.gz HZXBZAXGBSXXJD-CABCVRRESA-N 2 1 389.323 2.576 20 0 GFADMP Cc1[nH+]c2ccc(Br)cc2c(N2CC[N@H+]3C[C@H](O)C[C@H]3C2)c1C ZINC000656219389 566114165 /nfs/dbraw/zinc/11/41/65/566114165.db2.gz WBPIWVMQNZCMFS-LSDHHAIUSA-N 2 1 376.298 2.869 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195646 607030923 /nfs/dbraw/zinc/03/09/23/607030923.db2.gz ZDKOPALDKYNNPH-YJBOKZPZSA-N 2 1 377.496 2.952 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000822195646 607030925 /nfs/dbraw/zinc/03/09/25/607030925.db2.gz ZDKOPALDKYNNPH-YJBOKZPZSA-N 2 1 377.496 2.952 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330826 608449842 /nfs/dbraw/zinc/44/98/42/608449842.db2.gz JLILXATVVOKGPS-UHFFFAOYSA-N 2 1 381.484 2.695 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826330842 608450148 /nfs/dbraw/zinc/45/01/48/608450148.db2.gz KHKHUFRSVURHKU-UHFFFAOYSA-N 2 1 381.484 2.695 20 0 GFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 ZINC000826269123 609232849 /nfs/dbraw/zinc/23/28/49/609232849.db2.gz AVTJKYRIIYVLIE-KSSFIOAISA-N 2 1 378.484 2.593 20 0 GFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000822617517 660349948 /nfs/dbraw/zinc/34/99/48/660349948.db2.gz UKERNTUXZLBGFL-MRXNPFEDSA-N 2 1 376.372 2.837 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000060348623 654827966 /nfs/dbraw/zinc/82/79/66/654827966.db2.gz VDQJFLSPXQWFDB-AWEZNQCLSA-N 2 1 391.940 2.516 20 0 GFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972953 654839056 /nfs/dbraw/zinc/83/90/56/654839056.db2.gz LXLYDVXFQHJWNH-OCCSQVGLSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000127972953 654839059 /nfs/dbraw/zinc/83/90/59/654839059.db2.gz LXLYDVXFQHJWNH-OCCSQVGLSA-N 2 1 386.309 2.826 20 0 GFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193829 655105482 /nfs/dbraw/zinc/10/54/82/655105482.db2.gz YKHZRBQWCYWDPI-QWHCGFSZSA-N 2 1 376.469 2.684 20 0 GFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000158193829 655105483 /nfs/dbraw/zinc/10/54/83/655105483.db2.gz YKHZRBQWCYWDPI-QWHCGFSZSA-N 2 1 376.469 2.684 20 0 GFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000112374300 655190538 /nfs/dbraw/zinc/19/05/38/655190538.db2.gz LLGFBGIOSHTUSH-CQSZACIVSA-N 2 1 392.345 2.565 20 0 GFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000214692121 655421745 /nfs/dbraw/zinc/42/17/45/655421745.db2.gz OTFWFXXCJSLFTQ-KSZLIROESA-N 2 1 391.309 2.793 20 0 GFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774990795 656582178 /nfs/dbraw/zinc/58/21/78/656582178.db2.gz DGXYWWGYEIYRKL-LBPRGKRZSA-N 2 1 383.359 2.784 20 0 GFADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccnc(Cl)c2Cl)cc1 ZINC000811486783 660010286 /nfs/dbraw/zinc/01/02/86/660010286.db2.gz NPHHBGHQFSKRAA-UHFFFAOYSA-N 2 1 381.307 2.970 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900954 661448326 /nfs/dbraw/zinc/44/83/26/661448326.db2.gz BZRQBXIQIJGSDY-SQWLQELKSA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900954 661448328 /nfs/dbraw/zinc/44/83/28/661448328.db2.gz BZRQBXIQIJGSDY-SQWLQELKSA-N 2 1 393.329 2.815 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1cccc(Br)c1 ZINC000849098181 661691906 /nfs/dbraw/zinc/69/19/06/661691906.db2.gz FZQQOJDHJPVXSK-UKRRQHHQSA-N 2 1 383.334 2.815 20 0 GFADMP [NH3+]CCOc1cccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)c1 ZINC000851630481 661826724 /nfs/dbraw/zinc/82/67/24/661826724.db2.gz HXTOPVAXDSZORD-UHFFFAOYSA-N 2 1 382.283 2.704 20 0 GFADMP Cc1cc(Br)ccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549185 662336208 /nfs/dbraw/zinc/33/62/08/662336208.db2.gz BYADFESAKGHZRD-SJORKVTESA-N 2 1 394.313 2.515 20 0 GFADMP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000877341455 662874005 /nfs/dbraw/zinc/87/40/05/662874005.db2.gz XQKXTSKQXKWLKR-GFCCVEGCSA-N 2 1 392.322 2.558 20 0 GFADMP Oc1ccc(Br)c(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903980123 663814892 /nfs/dbraw/zinc/81/48/92/663814892.db2.gz IQKPZZPTLNVFSE-IYBDPMFKSA-N 2 1 380.330 2.555 20 0 GFADMP COc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1Br ZINC000903980225 663814948 /nfs/dbraw/zinc/81/49/48/663814948.db2.gz KREBLELPDPFMRV-CALCHBBNSA-N 2 1 394.357 2.858 20 0 GFADMP C[C@H]1C[C@H](C[N@@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469021 663835299 /nfs/dbraw/zinc/83/52/99/663835299.db2.gz HZZCNUDPYJVFHK-VHSXEESVSA-N 2 1 381.240 2.868 20 0 GFADMP C[C@H]1C[C@H](C[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC[NH2+]1 ZINC000904469021 663835301 /nfs/dbraw/zinc/83/53/01/663835301.db2.gz HZZCNUDPYJVFHK-VHSXEESVSA-N 2 1 381.240 2.868 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390042 664598558 /nfs/dbraw/zinc/59/85/58/664598558.db2.gz ZRLIXLYDEZEITB-TVFCKZIOSA-N 2 1 383.330 2.724 20 0 GFADMP C[N@@H+](C[C@@H](O)COc1ccc(Cl)cc1Br)C1CC[NH2+]CC1 ZINC000923279576 664627330 /nfs/dbraw/zinc/62/73/30/664627330.db2.gz QIIZLNSGICHNET-CYBMUJFWSA-N 2 1 377.710 2.526 20 0 GFADMP Cc1cc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)nn1 ZINC001164679487 719641857 /nfs/dbraw/zinc/64/18/57/719641857.db2.gz CHOIXNYVMKVVMZ-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP Cc1cc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)nn1 ZINC001164679487 719641864 /nfs/dbraw/zinc/64/18/64/719641864.db2.gz CHOIXNYVMKVVMZ-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP CCCSc1ncnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164685324 719651477 /nfs/dbraw/zinc/65/14/77/719651477.db2.gz ZFVCGBFPFFPFHZ-UHFFFAOYSA-N 2 1 390.557 2.659 20 0 GFADMP CCCSc1ncnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c1OC ZINC001164685324 719651483 /nfs/dbraw/zinc/65/14/83/719651483.db2.gz ZFVCGBFPFFPFHZ-UHFFFAOYSA-N 2 1 390.557 2.659 20 0 GFADMP CC[N@H+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[NH+]3CC(=O)NC)CC2)nc1 ZINC001164690083 719752692 /nfs/dbraw/zinc/75/26/92/719752692.db2.gz SCZMIHLVQLDBMA-HXUWFJFHSA-N 2 1 399.583 2.809 20 0 GFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164690083 719752704 /nfs/dbraw/zinc/75/27/04/719752704.db2.gz SCZMIHLVQLDBMA-HXUWFJFHSA-N 2 1 399.583 2.809 20 0 GFADMP CC[NH+]1CCCC[C@@H]1c1ccc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc1 ZINC001164690083 719752713 /nfs/dbraw/zinc/75/27/13/719752713.db2.gz SCZMIHLVQLDBMA-HXUWFJFHSA-N 2 1 399.583 2.809 20 0 GFADMP COCc1nn(-c2ccc3c(n2)CC[N@H+](Cc2ccccc2)C3)c2c1C[NH2+]C2 ZINC001164712344 720078780 /nfs/dbraw/zinc/07/87/80/720078780.db2.gz OYLVIWZMSJHXRW-UHFFFAOYSA-N 2 1 375.476 2.575 20 0 GFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC4(C3)CC[N@@H+](CC3CC3)C4)C2)cc1 ZINC001164773447 721285749 /nfs/dbraw/zinc/28/57/49/721285749.db2.gz PMQRJRJLWDZEOZ-UHFFFAOYSA-N 2 1 389.547 2.957 20 0 GFADMP c1ccc(C[NH+]2CCc3c(ncnc3N3CC4(C3)CC[N@H+](CC3CC3)C4)C2)cc1 ZINC001164773447 721285759 /nfs/dbraw/zinc/28/57/59/721285759.db2.gz PMQRJRJLWDZEOZ-UHFFFAOYSA-N 2 1 389.547 2.957 20 0 GFADMP c1ccc(C[N@H+]2CCc3c(ncnc3N3CC4(C3)CC[NH+](CC3CC3)C4)C2)cc1 ZINC001164773447 721285768 /nfs/dbraw/zinc/28/57/68/721285768.db2.gz PMQRJRJLWDZEOZ-UHFFFAOYSA-N 2 1 389.547 2.957 20 0 GFADMP c1ccc(C[N@@H+]2CCc3c(ncnc3N3CC4(C3)CC[NH+](CC3CC3)C4)C2)cc1 ZINC001164773447 721285774 /nfs/dbraw/zinc/28/57/74/721285774.db2.gz PMQRJRJLWDZEOZ-UHFFFAOYSA-N 2 1 389.547 2.957 20 0 GFADMP C[N@@H+](Cc1cccnc1)[C@@H]1CN(c2cc(N3CCCC3)cc[nH+]2)[C@H]2CCCO[C@@H]12 ZINC001164798221 721567251 /nfs/dbraw/zinc/56/72/51/721567251.db2.gz AZUFHDNORWZSFY-QZNHQXDQSA-N 2 1 393.535 2.945 20 0 GFADMP Fc1cccc(Br)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414972622 563755252 /nfs/dbraw/zinc/75/52/52/563755252.db2.gz MLWFWAYOOKMLAT-ZDUSSCGKSA-N 2 1 384.215 2.514 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152682068 551437957 /nfs/dbraw/zinc/43/79/57/551437957.db2.gz DPHFXADZFAPWNS-CKEIUWERSA-N 2 1 382.346 2.887 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCOc1cc(F)cc(Br)c1 ZINC000189292816 552468221 /nfs/dbraw/zinc/46/82/21/552468221.db2.gz GMBDHFMESRDSIZ-UHFFFAOYSA-N 2 1 388.325 2.536 20 0 GFADMP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(Br)o2)cc1 ZINC000191131384 552519560 /nfs/dbraw/zinc/51/95/60/552519560.db2.gz GUBDRFSUYGWUCB-UHFFFAOYSA-N 2 1 380.286 2.623 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000193474325 552994558 /nfs/dbraw/zinc/99/45/58/552994558.db2.gz MJKUXDQOEUTHCY-HNNXBMFYSA-N 2 1 395.345 2.981 20 0 GFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CSC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236881697 553072894 /nfs/dbraw/zinc/07/28/94/553072894.db2.gz CAVLTGHCKXWIES-LSDHHAIUSA-N 2 1 375.460 2.867 20 0 GFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000247479673 553122933 /nfs/dbraw/zinc/12/29/33/553122933.db2.gz JZGZCPIISCCYOW-DOTOQJQBSA-N 2 1 385.346 2.853 20 0 GFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000247479673 553122935 /nfs/dbraw/zinc/12/29/35/553122935.db2.gz JZGZCPIISCCYOW-DOTOQJQBSA-N 2 1 385.346 2.853 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261665682 553155861 /nfs/dbraw/zinc/15/58/61/553155861.db2.gz LCWDXDOFNMDYEW-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000261665682 553155865 /nfs/dbraw/zinc/15/58/65/553155865.db2.gz LCWDXDOFNMDYEW-DYVFJYSZSA-N 2 1 398.320 2.668 20 0 GFADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000261931391 553162717 /nfs/dbraw/zinc/16/27/17/553162717.db2.gz CUOCVCWHGKSOSK-CYBMUJFWSA-N 2 1 375.847 2.761 20 0 GFADMP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccc(OC(F)F)c(Cl)c1 ZINC000261931391 553162719 /nfs/dbraw/zinc/16/27/19/553162719.db2.gz CUOCVCWHGKSOSK-CYBMUJFWSA-N 2 1 375.847 2.761 20 0 GFADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542975 563217342 /nfs/dbraw/zinc/21/73/42/563217342.db2.gz ZIPSXSGXCHDNDG-UKRRQHHQSA-N 2 1 382.917 2.500 20 0 GFADMP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cc1 ZINC000277711335 563222048 /nfs/dbraw/zinc/22/20/48/563222048.db2.gz MRMVYIZIRQWGMC-AWEZNQCLSA-N 2 1 390.329 2.842 20 0 GFADMP CN(C)c1ncc(C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)n1C ZINC000419725747 563248240 /nfs/dbraw/zinc/24/82/40/563248240.db2.gz JBTSBPYXMSVYET-CQSZACIVSA-N 2 1 376.810 2.982 20 0 GFADMP Ic1cccc(OCCC[NH+]2CCC3(CC[NH2+]3)CC2)c1 ZINC000422561891 563343530 /nfs/dbraw/zinc/34/35/30/563343530.db2.gz OAWBQKCBYYLCRY-UHFFFAOYSA-N 2 1 386.277 2.888 20 0 GFADMP C[C@@H]([NH2+]CCC(=O)N(C)Cc1ccccc1Br)c1c[nH+]ccc1N ZINC000422903558 563350429 /nfs/dbraw/zinc/35/04/29/563350429.db2.gz FQOZCVXXFNMAMO-CYBMUJFWSA-N 2 1 391.313 2.956 20 0 GFADMP CC(C)N1CCc2nc(CN3CCN(C4=NC[C@@H](C)S4)CC3)sc2C1 ZINC000374957685 563386682 /nfs/dbraw/zinc/38/66/82/563386682.db2.gz XMRHPNGNDUGSGA-CQSZACIVSA-N 2 1 379.599 2.519 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)Cc1ccccc1Br ZINC000428549509 563495521 /nfs/dbraw/zinc/49/55/21/563495521.db2.gz PXZXUIJKRCTPQY-CQSZACIVSA-N 2 1 378.314 2.851 20 0 GFADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000414809716 563753719 /nfs/dbraw/zinc/75/37/19/563753719.db2.gz MSQPAUWWSQJFBV-UHFFFAOYSA-N 2 1 392.281 2.916 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930897 563754338 /nfs/dbraw/zinc/75/43/38/563754338.db2.gz BLCLRBZLTPPLGS-XJKSGUPXSA-N 2 1 399.329 2.787 20 0 GFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(I)cc2)CC1 ZINC000449112852 563906923 /nfs/dbraw/zinc/90/69/23/563906923.db2.gz TXNNWLFPDQOFNG-UHFFFAOYSA-N 2 1 388.293 2.882 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1C ZINC000508084012 564252654 /nfs/dbraw/zinc/25/26/54/564252654.db2.gz WTMZNBNHLBHXFN-QGZVFWFLSA-N 2 1 387.977 2.685 20 0 GFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370280 564277559 /nfs/dbraw/zinc/27/75/59/564277559.db2.gz PFRSRKXGSBAERB-MSOLQXFVSA-N 2 1 385.346 2.819 20 0 GFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370280 564277564 /nfs/dbraw/zinc/27/75/64/564277564.db2.gz PFRSRKXGSBAERB-MSOLQXFVSA-N 2 1 385.346 2.819 20 0 GFADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)CC12CCOCC2 ZINC000567588635 564378224 /nfs/dbraw/zinc/37/82/24/564378224.db2.gz DIOBCHDLUWDCMB-HNNXBMFYSA-N 2 1 381.314 2.571 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)CC12CCOCC2 ZINC000567588635 564378228 /nfs/dbraw/zinc/37/82/28/564378228.db2.gz DIOBCHDLUWDCMB-HNNXBMFYSA-N 2 1 381.314 2.571 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Br)cc3c2OCC3)CC12CCOCC2 ZINC000567588636 564378476 /nfs/dbraw/zinc/37/84/76/564378476.db2.gz DIOBCHDLUWDCMB-OAHLLOKOSA-N 2 1 381.314 2.571 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Br)cc3c2OCC3)CC12CCOCC2 ZINC000567588636 564378482 /nfs/dbraw/zinc/37/84/82/564378482.db2.gz DIOBCHDLUWDCMB-OAHLLOKOSA-N 2 1 381.314 2.571 20 0 GFADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000479295876 564435739 /nfs/dbraw/zinc/43/57/39/564435739.db2.gz XUGGWEGEPSCDKG-GOEBONIOSA-N 2 1 382.346 2.557 20 0 GFADMP O=C(CC[NH2+]C1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000569987985 564486588 /nfs/dbraw/zinc/48/65/88/564486588.db2.gz INTLWPOSCYHLHE-UHFFFAOYSA-N 2 1 380.330 2.672 20 0 GFADMP O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000573325168 564632816 /nfs/dbraw/zinc/63/28/16/564632816.db2.gz WDOVPMDFOVFHEF-QGZVFWFLSA-N 2 1 385.339 2.692 20 0 GFADMP O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000573325168 564632819 /nfs/dbraw/zinc/63/28/19/564632819.db2.gz WDOVPMDFOVFHEF-QGZVFWFLSA-N 2 1 385.339 2.692 20 0 GFADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)Nc3ccc(Br)cc3)CC2)C1 ZINC000573467742 564639789 /nfs/dbraw/zinc/63/97/89/564639789.db2.gz VRUFAQQAUGEWPG-RDJZCZTQSA-N 2 1 396.329 2.606 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088665 564676435 /nfs/dbraw/zinc/67/64/35/564676435.db2.gz OYMTUZTZXVZBNZ-BZPMIXESSA-N 2 1 394.368 2.590 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2ccc(I)cc2)CC1 ZINC000552828340 564702535 /nfs/dbraw/zinc/70/25/35/564702535.db2.gz QSPCHRIXQWBYNK-UHFFFAOYSA-N 2 1 388.293 2.834 20 0 GFADMP O=C(NCCC[NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Br)c1 ZINC000459392577 564742634 /nfs/dbraw/zinc/74/26/34/564742634.db2.gz DELJKKAZHSHESM-UHFFFAOYSA-N 2 1 380.330 2.785 20 0 GFADMP C[C@@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490699967 564780407 /nfs/dbraw/zinc/78/04/07/564780407.db2.gz OMWHIOVQYYGIMW-VQIMIIECSA-N 2 1 396.373 2.786 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000556076276 564812354 /nfs/dbraw/zinc/81/23/54/564812354.db2.gz LWZQTFAFDWHKHQ-AAEUAGOBSA-N 2 1 386.359 2.675 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000556076276 564812357 /nfs/dbraw/zinc/81/23/57/564812357.db2.gz LWZQTFAFDWHKHQ-AAEUAGOBSA-N 2 1 386.359 2.675 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ncc(Br)cc1F ZINC000529566152 564843210 /nfs/dbraw/zinc/84/32/10/564843210.db2.gz AUSPNBSTKQOGIA-OAHLLOKOSA-N 2 1 387.341 2.831 20 0 GFADMP CC[C@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870732 565135039 /nfs/dbraw/zinc/13/50/39/565135039.db2.gz FFXCDGRJLHEWMC-FUHWJXTLSA-N 2 1 396.373 2.947 20 0 GFADMP [NH3+][C@@H](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)Cc1ccccc1 ZINC000638883276 565216024 /nfs/dbraw/zinc/21/60/24/565216024.db2.gz ZLORBECOINBCEQ-LBPRGKRZSA-N 2 1 394.338 2.804 20 0 GFADMP Brc1cnc2c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cnn2c1 ZINC000639336268 565240405 /nfs/dbraw/zinc/24/04/05/565240405.db2.gz AUAYGESIUKJWOP-CQSZACIVSA-N 2 1 378.318 2.703 20 0 GFADMP Brc1cnc2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cnn2c1 ZINC000639336268 565240410 /nfs/dbraw/zinc/24/04/10/565240410.db2.gz AUAYGESIUKJWOP-CQSZACIVSA-N 2 1 378.318 2.703 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251914 565358266 /nfs/dbraw/zinc/35/82/66/565358266.db2.gz INPAFRGQOXCYIP-JKSUJKDBSA-N 2 1 384.307 2.917 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251914 565358269 /nfs/dbraw/zinc/35/82/69/565358269.db2.gz INPAFRGQOXCYIP-JKSUJKDBSA-N 2 1 384.307 2.917 20 0 GFADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662419872 565367659 /nfs/dbraw/zinc/36/76/59/565367659.db2.gz ADANPYRZDWHPGB-NSHDSACASA-N 2 1 386.359 2.964 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662419872 565367663 /nfs/dbraw/zinc/36/76/63/565367663.db2.gz ADANPYRZDWHPGB-NSHDSACASA-N 2 1 386.359 2.964 20 0 GFADMP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662579093 565378093 /nfs/dbraw/zinc/37/80/93/565378093.db2.gz ZDADSODZVPTARI-HZPDHXFCSA-N 2 1 380.330 2.686 20 0 GFADMP [NH3+][C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1Br ZINC000662577542 565378243 /nfs/dbraw/zinc/37/82/43/565378243.db2.gz JXHPHLNBBOGFCZ-IAOVAPTHSA-N 2 1 392.272 2.541 20 0 GFADMP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Nc1cccc(Br)c1 ZINC000663363334 565415333 /nfs/dbraw/zinc/41/53/33/565415333.db2.gz JPDXWSPEBCLJSR-KRWDZBQOSA-N 2 1 396.329 2.621 20 0 GFADMP CC[C@H]([NH2+][C@@H]1CC[NH2+]C2(CCC2)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000643547471 565435685 /nfs/dbraw/zinc/43/56/85/565435685.db2.gz FVXVKCLJCYNOKM-ZBFHGGJFSA-N 2 1 385.961 2.964 20 0 GFADMP COc1cc2[nH+]ccc(NCC[NH+]3CCC(OC)CC3)c2cc1Br ZINC000644873681 565500552 /nfs/dbraw/zinc/50/05/52/565500552.db2.gz NPJZZRFXGXHIHS-UHFFFAOYSA-N 2 1 394.313 2.951 20 0 GFADMP CC[N@@H+](C)C[C@H]1CCN([C@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214702 565606871 /nfs/dbraw/zinc/60/68/71/565606871.db2.gz NFEUQKGYEKCEGK-DYVFJYSZSA-N 2 1 380.330 2.976 20 0 GFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(Br)cc32)cc1 ZINC000647803208 565678740 /nfs/dbraw/zinc/67/87/40/565678740.db2.gz MGKDGSGXZRADML-MRXNPFEDSA-N 2 1 395.322 2.916 20 0 GFADMP COc1cc(Br)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1O ZINC000650707362 565832537 /nfs/dbraw/zinc/83/25/37/565832537.db2.gz DQHRPTAXRZFISI-DXCKQFNASA-N 2 1 399.329 2.882 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705669 565833081 /nfs/dbraw/zinc/83/30/81/565833081.db2.gz PNTHWDYUORVKIX-SQWLQELKSA-N 2 1 397.313 2.896 20 0 GFADMP O[C@@H](COc1ccc(Cl)c(Cl)c1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000675509763 565906920 /nfs/dbraw/zinc/90/69/20/565906920.db2.gz BHQHTVVKYXDQSZ-OAHLLOKOSA-N 2 1 382.291 2.950 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346633 565922827 /nfs/dbraw/zinc/92/28/27/565922827.db2.gz BVUMQKAWTZKKPD-OFQRWUPVSA-N 2 1 385.961 2.578 20 0 GFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 ZINC000826269122 609233195 /nfs/dbraw/zinc/23/31/95/609233195.db2.gz AVTJKYRIIYVLIE-KDOFPFPSSA-N 2 1 378.484 2.593 20 0 GFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)cc3F)C2)nc(C)[nH+]1 ZINC000826269156 609348595 /nfs/dbraw/zinc/34/85/95/609348595.db2.gz BWJAVALZQFGPMR-XJKSGUPXSA-N 2 1 396.474 2.732 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061327 660244951 /nfs/dbraw/zinc/24/49/51/660244951.db2.gz KTDXFSVVISTFJC-QZTJIDSGSA-N 2 1 383.330 2.716 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CC1(Cl)Cl ZINC000838673322 661053410 /nfs/dbraw/zinc/05/34/10/661053410.db2.gz XETDSAIAZBARJO-HOCLYGCPSA-N 2 1 379.376 2.628 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cccc(F)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325233174 655384555 /nfs/dbraw/zinc/38/45/55/655384555.db2.gz FONHCNXMFBPLTE-CJNGLKHVSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cccc(F)c2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000325233174 655384557 /nfs/dbraw/zinc/38/45/57/655384557.db2.gz FONHCNXMFBPLTE-CJNGLKHVSA-N 2 1 398.320 2.668 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3occc3Br)CC2)CC1 ZINC000365920499 655396830 /nfs/dbraw/zinc/39/68/30/655396830.db2.gz LHHKPPDJPKJIHO-UHFFFAOYSA-N 2 1 398.345 2.968 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000576726788 655451726 /nfs/dbraw/zinc/45/17/26/655451726.db2.gz CDXWQNJZIRTEJA-KRWDZBQOSA-N 2 1 382.346 2.728 20 0 GFADMP O=C1[C@H]([N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834968 655504552 /nfs/dbraw/zinc/50/45/52/655504552.db2.gz MYSXTGFXVUWQBB-RLFYNMQTSA-N 2 1 392.341 2.876 20 0 GFADMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000734842519 655635279 /nfs/dbraw/zinc/63/52/79/655635279.db2.gz OEKOBFPCDSBYAQ-INIZCTEOSA-N 2 1 381.977 2.776 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845411213 661469522 /nfs/dbraw/zinc/46/95/22/661469522.db2.gz QEIVMLBYVMCTAD-BPQIPLTHSA-N 2 1 376.948 2.749 20 0 GFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cn(C)nc3Br)CC2)oc1C ZINC000858134324 662100355 /nfs/dbraw/zinc/10/03/55/662100355.db2.gz PPVQVBGRTCMGMN-UHFFFAOYSA-N 2 1 396.333 2.789 20 0 GFADMP C[NH2+][C@H](C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)c1cccc(Cl)c1Cl ZINC000877357369 662874346 /nfs/dbraw/zinc/87/43/46/662874346.db2.gz SCNCVJUIDGBHRY-JQEORGNBSA-N 2 1 384.229 2.850 20 0 GFADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000878651170 662901841 /nfs/dbraw/zinc/90/18/41/662901841.db2.gz VVKGKXTWOZXPLK-MRXNPFEDSA-N 2 1 394.357 2.524 20 0 GFADMP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422561 663070507 /nfs/dbraw/zinc/07/05/07/663070507.db2.gz ZUVCCCMQUOBCKW-WMLDXEAASA-N 2 1 380.330 2.687 20 0 GFADMP O=C(CC[N@H+]1CC[NH2+]CCC12CCOCC2)Nc1cccc(Br)c1 ZINC000903817607 663807457 /nfs/dbraw/zinc/80/74/57/663807457.db2.gz AKFFTYKWYAKTGX-UHFFFAOYSA-N 2 1 396.329 2.622 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC[C@@H]1[NH3+] ZINC000923289632 664627576 /nfs/dbraw/zinc/62/75/76/664627576.db2.gz RFOZCLJGTJFJJG-QKCSRTOESA-N 2 1 377.710 2.511 20 0 GFADMP [NH3+]C[C@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371657 664629078 /nfs/dbraw/zinc/62/90/78/664629078.db2.gz CXBKMMZEDOJSSY-RDJZCZTQSA-N 2 1 389.309 2.825 20 0 GFADMP CC[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925841819 664675718 /nfs/dbraw/zinc/67/57/18/664675718.db2.gz UBRAIBUQWILZRN-CGTJXYLNSA-N 2 1 385.961 2.821 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1(C)C ZINC000926358363 664688600 /nfs/dbraw/zinc/68/86/00/664688600.db2.gz XSAJCWVWIMFFKP-MRXNPFEDSA-N 2 1 381.362 2.837 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)nc1 ZINC001164426061 718919134 /nfs/dbraw/zinc/91/91/34/718919134.db2.gz WDTNGDFXFCFIMB-IFMALSPDSA-N 2 1 388.556 2.604 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@H]3C[NH2+]C[C@H]3C[C@H]2C(=O)OCC)nc1 ZINC001164618177 719019209 /nfs/dbraw/zinc/01/92/09/719019209.db2.gz QLWRDAHHKRTVEH-ZRNYENFQSA-N 2 1 386.540 2.748 20 0 GFADMP CCOC(=O)c1cnc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)c1 ZINC001164682900 719623180 /nfs/dbraw/zinc/62/31/80/719623180.db2.gz PRPDOWSHNHVJJA-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP CCOC(=O)c1cnc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)c(Cl)c1 ZINC001164682900 719623185 /nfs/dbraw/zinc/62/31/85/719623185.db2.gz PRPDOWSHNHVJJA-UHFFFAOYSA-N 2 1 391.903 2.583 20 0 GFADMP COc1cc2ccc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164681272 719626588 /nfs/dbraw/zinc/62/65/88/719626588.db2.gz FRLIYRZEROSPQY-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP COc1cc2ccc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)nc2cc1OC ZINC001164681272 719626595 /nfs/dbraw/zinc/62/65/95/719626595.db2.gz FRLIYRZEROSPQY-UHFFFAOYSA-N 2 1 395.507 2.924 20 0 GFADMP CC[N@H+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[NH+]3CC(=O)NC)CC2)nc1 ZINC001164690082 719753321 /nfs/dbraw/zinc/75/33/21/719753321.db2.gz SCZMIHLVQLDBMA-FQEVSTJZSA-N 2 1 399.583 2.809 20 0 GFADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[N@@H+]3CC(=O)NC)CC2)nc1 ZINC001164690082 719753330 /nfs/dbraw/zinc/75/33/30/719753330.db2.gz SCZMIHLVQLDBMA-FQEVSTJZSA-N 2 1 399.583 2.809 20 0 GFADMP CC[NH+]1CCCC[C@H]1c1ccc(N2CCC3(CCC[N@H+]3CC(=O)NC)CC2)nc1 ZINC001164690082 719753340 /nfs/dbraw/zinc/75/33/40/719753340.db2.gz SCZMIHLVQLDBMA-FQEVSTJZSA-N 2 1 399.583 2.809 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164761680 721095797 /nfs/dbraw/zinc/09/57/97/721095797.db2.gz CMWGITVRYRYXSB-RTBURBONSA-N 2 1 377.492 2.935 20 0 GFADMP COc1ccc2c(cc[nH+]c2N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164761680 721095799 /nfs/dbraw/zinc/09/57/99/721095799.db2.gz CMWGITVRYRYXSB-RTBURBONSA-N 2 1 377.492 2.935 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164889510 721417095 /nfs/dbraw/zinc/41/70/95/721417095.db2.gz RIFPLFJKBSJFFH-AVRDEDQJSA-N 2 1 383.540 2.637 20 0 GFADMP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc(-n5ccnc5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164903095 721561042 /nfs/dbraw/zinc/56/10/42/721561042.db2.gz AIECJTZBVNOACL-UYAOXDASSA-N 2 1 379.439 2.748 20 0 GFADMP Cc1cnc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)nc1C1C[NH2+]C1 ZINC001165023949 721832523 /nfs/dbraw/zinc/83/25/23/721832523.db2.gz IWEDEHBJGPLGAB-YYWHXJBOSA-N 2 1 392.551 2.604 20 0 GFADMP c1cc(C[N@H+]2C[C@H]3C[C@@H](C2)N(c2ccc(OCC4CC[NH2+]CC4)cn2)C3)co1 ZINC001164929614 721901932 /nfs/dbraw/zinc/90/19/32/721901932.db2.gz GRVLTVGECIESJC-UXHICEINSA-N 2 1 382.508 2.764 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@H]23)nc1)C1CC1 ZINC001164958021 722051410 /nfs/dbraw/zinc/05/14/10/722051410.db2.gz AKWVNUUWJHTXMA-NOXFTYBFSA-N 2 1 393.535 2.976 20 0 GFADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)cc(Br)c1 ZINC000181686847 552265229 /nfs/dbraw/zinc/26/52/29/552265229.db2.gz QSGWZTUVCDVCLI-MRXNPFEDSA-N 2 1 386.309 2.793 20 0 GFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ncc(Br)cc1F ZINC000187164466 552408234 /nfs/dbraw/zinc/40/82/34/552408234.db2.gz NQGSSSMDWPXYHB-CYBMUJFWSA-N 2 1 387.341 2.907 20 0 GFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000188699555 552452931 /nfs/dbraw/zinc/45/29/31/552452931.db2.gz IGYZBDJYCNAMHL-HNNXBMFYSA-N 2 1 382.346 2.717 20 0 GFADMP CC(C)C[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000236707243 553071005 /nfs/dbraw/zinc/07/10/05/553071005.db2.gz MVYMJPDINOUNTR-QGZVFWFLSA-N 2 1 382.346 2.903 20 0 GFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311055 553121011 /nfs/dbraw/zinc/12/10/11/553121011.db2.gz QYCUQKVFTLFISL-GDBMZVCRSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311055 553121014 /nfs/dbraw/zinc/12/10/14/553121014.db2.gz QYCUQKVFTLFISL-GDBMZVCRSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000247311055 553121016 /nfs/dbraw/zinc/12/10/16/553121016.db2.gz QYCUQKVFTLFISL-GDBMZVCRSA-N 2 1 395.345 2.979 20 0 GFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249489860 553143788 /nfs/dbraw/zinc/14/37/88/553143788.db2.gz VCNSHXPPZJCDJH-HOCLYGCPSA-N 2 1 387.977 2.744 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@@H](C)C1 ZINC000249489860 553143791 /nfs/dbraw/zinc/14/37/91/553143791.db2.gz VCNSHXPPZJCDJH-HOCLYGCPSA-N 2 1 387.977 2.744 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261636381 553154796 /nfs/dbraw/zinc/15/47/96/553154796.db2.gz HWNFNJQKQSMNBY-RHSMWYFYSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(F)c(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261636381 553154798 /nfs/dbraw/zinc/15/47/98/553154798.db2.gz HWNFNJQKQSMNBY-RHSMWYFYSA-N 2 1 398.320 2.668 20 0 GFADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542973 563216125 /nfs/dbraw/zinc/21/61/25/563216125.db2.gz ZIPSXSGXCHDNDG-DZGCQCFKSA-N 2 1 382.917 2.500 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1Br)C2 ZINC000371491682 563279127 /nfs/dbraw/zinc/27/91/27/563279127.db2.gz UPSDBVKSSPDAFM-STQMWFEESA-N 2 1 377.286 2.886 20 0 GFADMP C[C@H](N[C@@H]1CC[N@@H+](CCN2CCOCC2)C1)c1ccccc1Br ZINC000372783436 563317571 /nfs/dbraw/zinc/31/75/71/563317571.db2.gz KGNNNYLCHWJWNY-JKSUJKDBSA-N 2 1 382.346 2.506 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423163416 563357683 /nfs/dbraw/zinc/35/76/83/563357683.db2.gz RDDSFOQHFQRKGR-QWHCGFSZSA-N 2 1 394.313 2.767 20 0 GFADMP C[C@@H]1CC2(C[N@H+]1CC(=O)N(C)Cc1ccccc1Br)CC[NH2+]CC2 ZINC000424291358 563375748 /nfs/dbraw/zinc/37/57/48/563375748.db2.gz NQCUKCZVVUUAAG-OAHLLOKOSA-N 2 1 394.357 2.872 20 0 GFADMP O=C(C[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000427289798 563464544 /nfs/dbraw/zinc/46/45/44/563464544.db2.gz WQBBMZMAKRTDPQ-HNNXBMFYSA-N 2 1 380.330 2.529 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898359 563490029 /nfs/dbraw/zinc/49/00/29/563490029.db2.gz BQWFSBOHTWCFFG-RBUKOAKNSA-N 2 1 396.373 2.583 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000377898359 563490032 /nfs/dbraw/zinc/49/00/32/563490032.db2.gz BQWFSBOHTWCFFG-RBUKOAKNSA-N 2 1 396.373 2.583 20 0 GFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078309 563619528 /nfs/dbraw/zinc/61/95/28/563619528.db2.gz AGRLGWGQQKJSNG-QAPCUYQASA-N 2 1 397.313 2.896 20 0 GFADMP CN1CC[NH+](CC2CC[NH+](Cc3cc(O)ccc3Br)CC2)CC1 ZINC000289460522 563675228 /nfs/dbraw/zinc/67/52/28/563675228.db2.gz OKIRYICENWSCGH-UHFFFAOYSA-N 2 1 382.346 2.614 20 0 GFADMP CCC[N@H+](Cc1ccccc1Br)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414736115 563751921 /nfs/dbraw/zinc/75/19/21/563751921.db2.gz CSYQVXXHRSYAFE-HNNXBMFYSA-N 2 1 382.346 2.858 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2c2cc(F)cc(Br)c2)C1 ZINC000414753344 563752118 /nfs/dbraw/zinc/75/21/18/563752118.db2.gz MAIIGZZKJMSBHZ-DYVFJYSZSA-N 2 1 398.320 2.922 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1cccc(Br)c1 ZINC000415102692 563759365 /nfs/dbraw/zinc/75/93/65/563759365.db2.gz CQVXYRGAKRXPLF-DYVFJYSZSA-N 2 1 378.318 2.940 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062703 563790252 /nfs/dbraw/zinc/79/02/52/563790252.db2.gz VCRMDSDVKBWMCT-HUUCEWRRSA-N 2 1 382.346 2.857 20 0 GFADMP C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999112 563894286 /nfs/dbraw/zinc/89/42/86/563894286.db2.gz UMJFPHLAHDGTQZ-KRWDZBQOSA-N 2 1 385.339 2.961 20 0 GFADMP C[C@@H](COc1ccc(Cl)c(Cl)c1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000449134139 563906746 /nfs/dbraw/zinc/90/67/46/563906746.db2.gz HDJUKBHCQGDBRH-KBPBESRZSA-N 2 1 388.339 2.938 20 0 GFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000567605305 564379376 /nfs/dbraw/zinc/37/93/76/564379376.db2.gz MXVKLBJWZOOGEN-RDJZCZTQSA-N 2 1 385.346 2.756 20 0 GFADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894678 564395388 /nfs/dbraw/zinc/39/53/88/564395388.db2.gz NLQWBBWUJOYTMI-STQMWFEESA-N 2 1 384.293 2.848 20 0 GFADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000567894678 564395391 /nfs/dbraw/zinc/39/53/91/564395391.db2.gz NLQWBBWUJOYTMI-STQMWFEESA-N 2 1 384.293 2.848 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccc(Br)cc2)CC1 ZINC000516207089 564496812 /nfs/dbraw/zinc/49/68/12/564496812.db2.gz RKEFWAUEUFHEDV-UHFFFAOYSA-N 2 1 389.297 2.777 20 0 GFADMP N[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647990 564507706 /nfs/dbraw/zinc/50/77/06/564507706.db2.gz HBYPZRLHDNHKBQ-NVXWUHKLSA-N 2 1 378.929 2.967 20 0 GFADMP N[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1)c1cscn1 ZINC000516647990 564507710 /nfs/dbraw/zinc/50/77/10/564507710.db2.gz HBYPZRLHDNHKBQ-NVXWUHKLSA-N 2 1 378.929 2.967 20 0 GFADMP CC[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665786 564518705 /nfs/dbraw/zinc/51/87/05/564518705.db2.gz DJNPDPTZQCEIOI-ZLIFDBKOSA-N 2 1 385.961 2.772 20 0 GFADMP CC[C@H](N[C@H]1C[N@H+](C2CC2)C[C@@H]1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000481665786 564518710 /nfs/dbraw/zinc/51/87/10/564518710.db2.gz DJNPDPTZQCEIOI-ZLIFDBKOSA-N 2 1 385.961 2.772 20 0 GFADMP CC(C)[N@@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@@H]1C ZINC000456374784 564603887 /nfs/dbraw/zinc/60/38/87/564603887.db2.gz QOBRQTZKBUUDEZ-AWEZNQCLSA-N 2 1 397.361 2.868 20 0 GFADMP CC(C)[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456374784 564603891 /nfs/dbraw/zinc/60/38/91/564603891.db2.gz QOBRQTZKBUUDEZ-AWEZNQCLSA-N 2 1 397.361 2.868 20 0 GFADMP CC(C)[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456374784 564603892 /nfs/dbraw/zinc/60/38/92/564603892.db2.gz QOBRQTZKBUUDEZ-AWEZNQCLSA-N 2 1 397.361 2.868 20 0 GFADMP [NH3+]CCCOC1CC[NH+]([C@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000520584228 564608213 /nfs/dbraw/zinc/60/82/13/564608213.db2.gz HTMJTXJMNPJIJP-KRWDZBQOSA-N 2 1 386.323 2.929 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816217 564655051 /nfs/dbraw/zinc/65/50/51/564655051.db2.gz YWCWBYCUTYYMKA-HOCLYGCPSA-N 2 1 399.329 2.882 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccccc1Br ZINC000523392053 564665664 /nfs/dbraw/zinc/66/56/64/564665664.db2.gz JBFPCWGAQJKSRX-OAHLLOKOSA-N 2 1 382.346 2.937 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552226031 564682951 /nfs/dbraw/zinc/68/29/51/564682951.db2.gz USVBXYNWXASQNG-IXDOHACOSA-N 2 1 380.330 2.641 20 0 GFADMP CCN1CC[NH+]([C@H]2CCN(Cc3cc(Br)cc(F)c3F)C2)CC1 ZINC000575752904 564702758 /nfs/dbraw/zinc/70/27/58/564702758.db2.gz QLHXFFCXFKPTFK-HNNXBMFYSA-N 2 1 388.300 2.939 20 0 GFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)[C@H](C)C1 ZINC000490404407 564769877 /nfs/dbraw/zinc/76/98/77/564769877.db2.gz RFMFIHCZGUOHPW-NVXWUHKLSA-N 2 1 387.366 2.762 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1c(F)cccc1Cl ZINC000463685447 564887254 /nfs/dbraw/zinc/88/72/54/564887254.db2.gz SBERULFVQILBAB-AWEZNQCLSA-N 2 1 391.940 2.516 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(Br)cc1 ZINC000499505776 564929882 /nfs/dbraw/zinc/92/98/82/564929882.db2.gz CWAYEUBIHAKGCR-QGZVFWFLSA-N 2 1 382.346 2.937 20 0 GFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000638670832 565206550 /nfs/dbraw/zinc/20/65/50/565206550.db2.gz LQAZUZRYUIFPGT-CRAIPNDOSA-N 2 1 379.551 2.568 20 0 GFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)[C@@H]1c1cccs1 ZINC000638670832 565206555 /nfs/dbraw/zinc/20/65/55/565206555.db2.gz LQAZUZRYUIFPGT-CRAIPNDOSA-N 2 1 379.551 2.568 20 0 GFADMP CC[N@@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H](C)C1 ZINC000659260839 565208810 /nfs/dbraw/zinc/20/88/10/565208810.db2.gz QSEGRGBDNJEVLF-JQWIXIFHSA-N 2 1 386.359 2.916 20 0 GFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H](C)C1 ZINC000659260839 565208814 /nfs/dbraw/zinc/20/88/14/565208814.db2.gz QSEGRGBDNJEVLF-JQWIXIFHSA-N 2 1 386.359 2.916 20 0 GFADMP Cn1ccnc1[C@H]1CC[N@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128033 565254742 /nfs/dbraw/zinc/25/47/42/565254742.db2.gz HWXZJDMJRHRIKT-NSHDSACASA-N 2 1 388.269 2.731 20 0 GFADMP Cn1ccnc1[C@H]1CC[N@@H+](CC(=O)c2c[nH]c3ncc(Br)cc23)C1 ZINC000660128033 565254745 /nfs/dbraw/zinc/25/47/45/565254745.db2.gz HWXZJDMJRHRIKT-NSHDSACASA-N 2 1 388.269 2.731 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320811 565360334 /nfs/dbraw/zinc/36/03/34/565360334.db2.gz WPYKNWULKNWQRH-JKSUJKDBSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Cl)CCO1 ZINC000662320811 565360337 /nfs/dbraw/zinc/36/03/37/565360337.db2.gz WPYKNWULKNWQRH-JKSUJKDBSA-N 2 1 391.339 2.776 20 0 GFADMP N[C@H](C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341498 565361993 /nfs/dbraw/zinc/36/19/93/565361993.db2.gz QMHLJBYGWKXWFA-QAPCUYQASA-N 2 1 388.309 2.840 20 0 GFADMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccccc1Br ZINC000662341498 565362002 /nfs/dbraw/zinc/36/20/02/565362002.db2.gz QMHLJBYGWKXWFA-QAPCUYQASA-N 2 1 388.309 2.840 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1Br ZINC000662590435 565378167 /nfs/dbraw/zinc/37/81/67/565378167.db2.gz MKRHMFMDXIIROC-RHSMWYFYSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000671099094 565751552 /nfs/dbraw/zinc/75/15/52/565751552.db2.gz ODUAOFFRFANIEN-XHSDSOJGSA-N 2 1 384.362 2.957 20 0 GFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(Br)c1O ZINC000650708166 565833168 /nfs/dbraw/zinc/83/31/68/565833168.db2.gz UQUJKPWKQURIMA-BJJXKVORSA-N 2 1 399.329 2.882 20 0 GFADMP Cc1cc(Br)cc(C)c1NC(=O)CCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000679816805 566053470 /nfs/dbraw/zinc/05/34/70/566053470.db2.gz YQWOUYHKZZRDFJ-GASCZTMLSA-N 2 1 380.330 2.936 20 0 GFADMP CN(C(=O)c1cccc(Br)c1F)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000683243747 566190410 /nfs/dbraw/zinc/19/04/10/566190410.db2.gz HHEPJTRTFZGXAY-CQSZACIVSA-N 2 1 398.320 2.829 20 0 GFADMP CN(C(=O)c1cccc(Br)c1F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683243747 566190413 /nfs/dbraw/zinc/19/04/13/566190413.db2.gz HHEPJTRTFZGXAY-CQSZACIVSA-N 2 1 398.320 2.829 20 0 GFADMP c1sc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cc1-c1nn[nH]n1 ZINC000826521734 608135931 /nfs/dbraw/zinc/13/59/31/608135931.db2.gz XATKJRQNQINBET-KFKAGJAMSA-N 2 1 380.521 2.928 20 0 GFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccc(-c4nn[nH]n4)c(F)c3)CC2)nc(C)[nH+]1 ZINC000826269255 609149129 /nfs/dbraw/zinc/14/91/29/609149129.db2.gz GFKLILLAOZUMGJ-ZDUSSCGKSA-N 2 1 396.474 2.732 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CCO2 ZINC000830631075 660667907 /nfs/dbraw/zinc/66/79/07/660667907.db2.gz VNMWFXSNWTWWLF-OAHLLOKOSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H](O)COc1cc(Cl)ccc1Cl)CCO2 ZINC000830631075 660667910 /nfs/dbraw/zinc/66/79/10/660667910.db2.gz VNMWFXSNWTWWLF-OAHLLOKOSA-N 2 1 389.323 2.530 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000057816874 654810627 /nfs/dbraw/zinc/81/06/27/654810627.db2.gz IAQPHBOKYNSDDR-QGZVFWFLSA-N 2 1 380.627 2.909 20 0 GFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cc(Br)ccc1O ZINC000155691465 655086520 /nfs/dbraw/zinc/08/65/20/655086520.db2.gz CHPCDLGWAKICHP-BBRMVZONSA-N 2 1 398.345 2.783 20 0 GFADMP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000274734969 655199249 /nfs/dbraw/zinc/19/92/49/655199249.db2.gz BNDYBSMLVMUECE-IAGOWNOFSA-N 2 1 383.330 2.925 20 0 GFADMP Brc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(N2CCOCC2)c1 ZINC000261964911 655443234 /nfs/dbraw/zinc/44/32/34/655443234.db2.gz HROBFINRFFHAOM-UHFFFAOYSA-N 2 1 394.357 2.861 20 0 GFADMP [NH3+]C1(CC(=O)NCc2ncc(Cl)s2)CC[NH+](Cc2ccccc2)CC1 ZINC000719421797 655524380 /nfs/dbraw/zinc/52/43/80/655524380.db2.gz LLVLASGNEUOUHT-UHFFFAOYSA-N 2 1 378.929 2.796 20 0 GFADMP [NH3+]CCCCCC[N@@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000846218021 661538880 /nfs/dbraw/zinc/53/88/80/661538880.db2.gz KMFNYTGCXQIILB-UHFFFAOYSA-N 2 1 379.979 2.617 20 0 GFADMP [NH3+]CCCCCC[N@H+]1CCCN(S(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000846218021 661538881 /nfs/dbraw/zinc/53/88/81/661538881.db2.gz KMFNYTGCXQIILB-UHFFFAOYSA-N 2 1 379.979 2.617 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856950364 662054425 /nfs/dbraw/zinc/05/44/25/662054425.db2.gz ZGUIYYIBDGZNSZ-LSDHHAIUSA-N 2 1 379.376 2.628 20 0 GFADMP C[NH+](C)Cc1ccc(C[N@@H+](C)Cc2ccc(S(N)(=O)=O)c(Cl)c2)cc1 ZINC000877525318 662878047 /nfs/dbraw/zinc/87/80/47/662878047.db2.gz YXNRCDZTAROIMU-UHFFFAOYSA-N 2 1 381.929 2.681 20 0 GFADMP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000891682215 663346989 /nfs/dbraw/zinc/34/69/89/663346989.db2.gz SKSLJZJONKMUKV-BBRMVZONSA-N 2 1 395.345 2.545 20 0 GFADMP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496603 663785758 /nfs/dbraw/zinc/78/57/58/663785758.db2.gz VKILWPMTMAUWFM-IJEWVQPXSA-N 2 1 382.346 2.713 20 0 GFADMP FC(F)(F)c1nc(Br)c2n1CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903831361 663807694 /nfs/dbraw/zinc/80/76/94/663807694.db2.gz ITDVMWWIRGHDIL-JTQLQIEISA-N 2 1 381.240 2.870 20 0 GFADMP FC(F)(F)c1nc(Br)c2n1CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000903831361 663807695 /nfs/dbraw/zinc/80/76/95/663807695.db2.gz ITDVMWWIRGHDIL-JTQLQIEISA-N 2 1 381.240 2.870 20 0 GFADMP CC(C)([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1Br ZINC000903902921 663810717 /nfs/dbraw/zinc/81/07/17/663810717.db2.gz PRKAYEKJFMJTBA-ZDUSSCGKSA-N 2 1 378.318 2.990 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391233 664598499 /nfs/dbraw/zinc/59/84/99/664598499.db2.gz VBZKQTBJGJGNDL-UNIGVISCSA-N 2 1 388.375 2.783 20 0 GFADMP Cc1nc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)sc1Br ZINC000922391233 664598500 /nfs/dbraw/zinc/59/85/00/664598500.db2.gz VBZKQTBJGJGNDL-UNIGVISCSA-N 2 1 388.375 2.783 20 0 GFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923371590 664629097 /nfs/dbraw/zinc/62/90/97/664629097.db2.gz ZFQJITYYNQOIPI-RISCZKNCSA-N 2 1 379.726 2.805 20 0 GFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000923393823 664629421 /nfs/dbraw/zinc/62/94/21/664629421.db2.gz YQADRDXDAMVZMG-KGYLQXTDSA-N 2 1 377.710 2.654 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000923423935 664630218 /nfs/dbraw/zinc/63/02/18/664630218.db2.gz CUHMVZILWBKTDL-YUSALJHKSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000923423935 664630220 /nfs/dbraw/zinc/63/02/20/664630220.db2.gz CUHMVZILWBKTDL-YUSALJHKSA-N 2 1 387.229 2.802 20 0 GFADMP Cc1ccc(Br)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)n1 ZINC000930527207 664772320 /nfs/dbraw/zinc/77/23/20/664772320.db2.gz WOPQDQVKSIJFEQ-UHFFFAOYSA-N 2 1 390.285 2.552 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@H]3C[NH2+]C[C@@H]3C[C@H]2C(=O)OCC)nc1 ZINC001164618174 719019099 /nfs/dbraw/zinc/01/90/99/719019099.db2.gz QLWRDAHHKRTVEH-YRPNKDGESA-N 2 1 386.540 2.748 20 0 GFADMP Clc1nc2c(c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]C2 ZINC001164628640 719062564 /nfs/dbraw/zinc/06/25/64/719062564.db2.gz SZZWFHIJQHDZCB-LPHOPBHVSA-N 2 1 383.927 2.877 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cncc(OCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164682315 719609251 /nfs/dbraw/zinc/60/92/51/719609251.db2.gz CHXSZUTZBUKNBB-UHFFFAOYSA-N 2 1 392.507 2.727 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cncc(OCc3ccccc3)n2)c2c1CC[NH2+]C2 ZINC001164682315 719609258 /nfs/dbraw/zinc/60/92/58/719609258.db2.gz CHXSZUTZBUKNBB-UHFFFAOYSA-N 2 1 392.507 2.727 20 0 GFADMP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(NC4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164837146 720505705 /nfs/dbraw/zinc/50/57/05/720505705.db2.gz NWKRNQJJMXTSNX-WDSOQIARSA-N 2 1 381.528 2.625 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(NC4CC4)cc[nH+]3)CC[C@@H]21 ZINC001164837146 720505706 /nfs/dbraw/zinc/50/57/06/720505706.db2.gz NWKRNQJJMXTSNX-WDSOQIARSA-N 2 1 381.528 2.625 20 0 GFADMP Cc1cnc(N2CCC(F)(F)[C@@]3(CC[N@@H+](Cc4ccccn4)C3)C2)c(C[NH3+])c1 ZINC001164908359 721718549 /nfs/dbraw/zinc/71/85/49/721718549.db2.gz XGBBIDYJCWRXDH-HXUWFJFHSA-N 2 1 387.478 2.981 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)[nH+]1 ZINC001164947738 721974865 /nfs/dbraw/zinc/97/48/65/721974865.db2.gz RUTNKCJXLDZUHL-UHFFFAOYSA-N 2 1 389.503 2.842 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)[nH+]1 ZINC001164947738 721974869 /nfs/dbraw/zinc/97/48/69/721974869.db2.gz RUTNKCJXLDZUHL-UHFFFAOYSA-N 2 1 389.503 2.842 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)cc1Cl ZINC000110102038 551202444 /nfs/dbraw/zinc/20/24/44/551202444.db2.gz NIHYCOCWEMMRMA-HNNXBMFYSA-N 2 1 391.940 2.516 20 0 GFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@@H+]1C ZINC000181459002 552257762 /nfs/dbraw/zinc/25/77/62/552257762.db2.gz OSAXTBYUFPHKPT-YOEHRIQHSA-N 2 1 382.346 2.858 20 0 GFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)cc2N2CCOCC2)CC[N@H+]1C ZINC000181459002 552257765 /nfs/dbraw/zinc/25/77/65/552257765.db2.gz OSAXTBYUFPHKPT-YOEHRIQHSA-N 2 1 382.346 2.858 20 0 GFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533434 552259919 /nfs/dbraw/zinc/25/99/19/552259919.db2.gz LSRJVPZLAVIAAK-NVXWUHKLSA-N 2 1 385.599 2.659 20 0 GFADMP Brc1ccc(-c2nnc(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491335 553108812 /nfs/dbraw/zinc/10/88/12/553108812.db2.gz RYAZPIJVOGQNLM-GJZGRUSLSA-N 2 1 376.302 2.951 20 0 GFADMP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000261745087 553157848 /nfs/dbraw/zinc/15/78/48/553157848.db2.gz MDGLQRZAJFLXDT-HBUWYVDXSA-N 2 1 382.346 2.860 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261755488 553158185 /nfs/dbraw/zinc/15/81/85/553158185.db2.gz CMCDNTRFSAIDMQ-GXTWGEPZSA-N 2 1 375.460 2.847 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)s2)C1)[C@H]1CCC[NH2+]1 ZINC000261755488 553158188 /nfs/dbraw/zinc/15/81/88/553158188.db2.gz CMCDNTRFSAIDMQ-GXTWGEPZSA-N 2 1 375.460 2.847 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2sccc2Br)C1)[C@@H]1CCC[NH2+]1 ZINC000262103684 553166046 /nfs/dbraw/zinc/16/60/46/553166046.db2.gz JCYDFNBEKZGKPM-JSGCOSHPSA-N 2 1 386.359 2.591 20 0 GFADMP O=S1(=O)CC[C@H]([NH2+]C2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C1 ZINC000373797062 563351251 /nfs/dbraw/zinc/35/12/51/563351251.db2.gz ZAKQHGSWNIWIEI-HNNXBMFYSA-N 2 1 379.913 2.634 20 0 GFADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)c1c[nH+]ccc1N ZINC000423156085 563356699 /nfs/dbraw/zinc/35/66/99/563356699.db2.gz MBACUEDMAPNBKK-NEPJUHHUSA-N 2 1 382.277 2.898 20 0 GFADMP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(Br)c1)c1c[nH+]ccc1N ZINC000423156084 563357136 /nfs/dbraw/zinc/35/71/36/563357136.db2.gz LZXMQYMSUJFAGW-YPMHNXCESA-N 2 1 382.277 2.898 20 0 GFADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280878281 563358894 /nfs/dbraw/zinc/35/88/94/563358894.db2.gz OFBGMWNYTJKUOQ-INIZCTEOSA-N 2 1 384.933 2.884 20 0 GFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ncc(Br)cc1F ZINC000423499908 563361480 /nfs/dbraw/zinc/36/14/80/563361480.db2.gz BQGOTLFXSJUYQW-LRVUVFPRSA-N 2 1 385.325 2.850 20 0 GFADMP CC(C)N1CCc2nc(CN3CCN(C4=NC[C@H](C)S4)CC3)sc2C1 ZINC000374957684 563386610 /nfs/dbraw/zinc/38/66/10/563386610.db2.gz XMRHPNGNDUGSGA-AWEZNQCLSA-N 2 1 379.599 2.519 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)c2cc1Br ZINC000425230560 563413348 /nfs/dbraw/zinc/41/33/48/563413348.db2.gz CIWOORVGYCLJHH-OLZOCXBDSA-N 2 1 394.313 2.897 20 0 GFADMP C[C@@H](NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccc(Br)cc1 ZINC000391804615 563525470 /nfs/dbraw/zinc/52/54/70/563525470.db2.gz VJERENNGDPLPMV-BMFZPTHFSA-N 2 1 380.330 2.558 20 0 GFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430559951 563544931 /nfs/dbraw/zinc/54/49/31/563544931.db2.gz UVAKNZFLNZNAGW-DZKIICNBSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)Cc2ccc(Br)cc2)C1 ZINC000430559951 563544933 /nfs/dbraw/zinc/54/49/33/563544933.db2.gz UVAKNZFLNZNAGW-DZKIICNBSA-N 2 1 382.346 2.855 20 0 GFADMP O=C([C@H]1CCC[N@H+](CCOc2cc(Cl)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000430607366 563546822 /nfs/dbraw/zinc/54/68/22/563546822.db2.gz YKNOYRQHUNXEKK-AWEZNQCLSA-N 2 1 386.323 2.516 20 0 GFADMP COC(=O)[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[N@H+](C)C1 ZINC000413495733 563694663 /nfs/dbraw/zinc/69/46/63/563694663.db2.gz JQQDXRZEVOSQID-GFCCVEGCSA-N 2 1 378.270 2.538 20 0 GFADMP COC(=O)[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[N@@H+](C)C1 ZINC000413495733 563694667 /nfs/dbraw/zinc/69/46/67/563694667.db2.gz JQQDXRZEVOSQID-GFCCVEGCSA-N 2 1 378.270 2.538 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2cccc(Br)c2)C1 ZINC000414673668 563749175 /nfs/dbraw/zinc/74/91/75/563749175.db2.gz JEYBQTYFFMRHQT-RHSMWYFYSA-N 2 1 380.330 2.783 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676048 563750450 /nfs/dbraw/zinc/75/04/50/563750450.db2.gz HCZFKPBIFZINBX-KUHUBIRLSA-N 2 1 375.563 2.954 20 0 GFADMP C[N@H+](Cc1ccc(Br)cc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414739948 563751665 /nfs/dbraw/zinc/75/16/65/563751665.db2.gz CLYSKVMGXSVKMT-GFCCVEGCSA-N 2 1 388.737 2.732 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741676 563751866 /nfs/dbraw/zinc/75/18/66/563751866.db2.gz FMEVWRSVOYKDEA-UKRRQHHQSA-N 2 1 386.323 2.644 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)s2)C1 ZINC000414753376 563752185 /nfs/dbraw/zinc/75/21/85/563752185.db2.gz DMFBZGPDYLUHLW-CHWSQXEVSA-N 2 1 386.359 2.845 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367221572 563836138 /nfs/dbraw/zinc/83/61/38/563836138.db2.gz NCTZRZKCEKQUJP-QGZVFWFLSA-N 2 1 396.373 2.928 20 0 GFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCOc3ccccc3Br)C2)CC1 ZINC000367221572 563836141 /nfs/dbraw/zinc/83/61/41/563836141.db2.gz NCTZRZKCEKQUJP-QGZVFWFLSA-N 2 1 396.373 2.928 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136663 563907254 /nfs/dbraw/zinc/90/72/54/563907254.db2.gz VTOLOEMQKOQPJO-BLLLJJGKSA-N 2 1 398.320 2.753 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136663 563907255 /nfs/dbraw/zinc/90/72/55/563907255.db2.gz VTOLOEMQKOQPJO-BLLLJJGKSA-N 2 1 398.320 2.753 20 0 GFADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCCSc2ccccc2Cl)CC1 ZINC000539198365 564213182 /nfs/dbraw/zinc/21/31/82/564213182.db2.gz JDXRHRDDGVEDMD-UHFFFAOYSA-N 2 1 384.973 2.981 20 0 GFADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000566004934 564305952 /nfs/dbraw/zinc/30/59/52/564305952.db2.gz KKHACNZXCSAQKU-CYBMUJFWSA-N 2 1 388.693 2.637 20 0 GFADMP [NH3+]CCc1nc(C(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cs1 ZINC000567968193 564398617 /nfs/dbraw/zinc/39/86/17/564398617.db2.gz KZFPRSXUUOXWSJ-MRXNPFEDSA-N 2 1 378.929 2.865 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000513967260 564444032 /nfs/dbraw/zinc/44/40/32/564444032.db2.gz HCFQFHLPTIISJU-UHFFFAOYSA-N 2 1 380.330 2.578 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2cccc(Br)c2)C2CC2)CC1 ZINC000513967260 564444036 /nfs/dbraw/zinc/44/40/36/564444036.db2.gz HCFQFHLPTIISJU-UHFFFAOYSA-N 2 1 380.330 2.578 20 0 GFADMP Cc1cc(Br)oc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000515576337 564482971 /nfs/dbraw/zinc/48/29/71/564482971.db2.gz UJXYFFOMRWSMSR-UHFFFAOYSA-N 2 1 379.258 2.750 20 0 GFADMP C[N@@H+](CCn1cc(Cl)cn1)[C@H]1CCCN(CCn2cc(Cl)cn2)CC1 ZINC000459375621 564740966 /nfs/dbraw/zinc/74/09/66/564740966.db2.gz NGSHHJBBRNLRCS-KRWDZBQOSA-N 2 1 385.343 2.873 20 0 GFADMP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527639658 564753298 /nfs/dbraw/zinc/75/32/98/564753298.db2.gz HQKGLCFDJRANMV-LBPRGKRZSA-N 2 1 375.742 2.613 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000582355366 564842514 /nfs/dbraw/zinc/84/25/14/564842514.db2.gz IASHRHYMRSIXAC-XJKSGUPXSA-N 2 1 382.302 2.620 20 0 GFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1Br ZINC000531959294 564924716 /nfs/dbraw/zinc/92/47/16/564924716.db2.gz JNOOPSDXIIMSOR-DZGCQCFKSA-N 2 1 398.345 2.696 20 0 GFADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312055 564929820 /nfs/dbraw/zinc/92/98/20/564929820.db2.gz NUWZJPRQEWOIRE-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312055 564929822 /nfs/dbraw/zinc/92/98/22/564929822.db2.gz NUWZJPRQEWOIRE-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312055 564929827 /nfs/dbraw/zinc/92/98/27/564929827.db2.gz NUWZJPRQEWOIRE-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312055 564929831 /nfs/dbraw/zinc/92/98/31/564929831.db2.gz NUWZJPRQEWOIRE-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000469861221 565030522 /nfs/dbraw/zinc/03/05/22/565030522.db2.gz ITDZBTWQTADUAN-UHFFFAOYSA-N 2 1 385.302 2.550 20 0 GFADMP O=C([C@H]1CCC[N@@H+](Cc2cnc(-c3cccs3)s2)C1)N1CC[NH2+]CC1 ZINC000469995486 565034978 /nfs/dbraw/zinc/03/49/78/565034978.db2.gz AZVUVLKYEDHQQV-AWEZNQCLSA-N 2 1 376.551 2.515 20 0 GFADMP C[NH+](C)CC1(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000636035732 565087040 /nfs/dbraw/zinc/08/70/40/565087040.db2.gz UXDFKHPLGBNGDF-UHFFFAOYSA-N 2 1 394.357 2.872 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)Cc2ccccc2Br)CC1 ZINC000591012257 565213189 /nfs/dbraw/zinc/21/31/89/565213189.db2.gz UVIALCKNGVXDFK-UHFFFAOYSA-N 2 1 389.297 2.777 20 0 GFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000639176686 565229842 /nfs/dbraw/zinc/22/98/42/565229842.db2.gz JALUWRAMUFLNCD-AWEZNQCLSA-N 2 1 378.318 2.656 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319419 565360192 /nfs/dbraw/zinc/36/01/92/565360192.db2.gz MUTCZCQLPNZJJH-ZBFHGGJFSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)c(Cl)c2)CCO1 ZINC000662319419 565360194 /nfs/dbraw/zinc/36/01/94/565360194.db2.gz MUTCZCQLPNZJJH-ZBFHGGJFSA-N 2 1 391.339 2.776 20 0 GFADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662484367 565371606 /nfs/dbraw/zinc/37/16/06/565371606.db2.gz ADBMWNDBRPLSKC-GFCCVEGCSA-N 2 1 398.370 2.918 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662484367 565371610 /nfs/dbraw/zinc/37/16/10/565371610.db2.gz ADBMWNDBRPLSKC-GFCCVEGCSA-N 2 1 398.370 2.918 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1)c1ccccc1Br ZINC000662587012 565377965 /nfs/dbraw/zinc/37/79/65/565377965.db2.gz UERRJCNODDCIFZ-PBHICJAKSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000665637219 565506309 /nfs/dbraw/zinc/50/63/09/565506309.db2.gz YECWZHGVJAJAPN-HNNXBMFYSA-N 2 1 399.377 2.863 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)N(C)Cc1ccc(Br)cc1 ZINC000665637219 565506312 /nfs/dbraw/zinc/50/63/12/565506312.db2.gz YECWZHGVJAJAPN-HNNXBMFYSA-N 2 1 399.377 2.863 20 0 GFADMP C[N@H+]1CC[C@]2(CCN([C@H]3CCc4cc(Br)ccc4NC3=O)C2)C1 ZINC000625446880 565631576 /nfs/dbraw/zinc/63/15/76/565631576.db2.gz WHUOKSOEGDEOGB-WMZOPIPTSA-N 2 1 378.314 2.730 20 0 GFADMP Cc1cccc(CC(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)c1Br ZINC000625561048 565638743 /nfs/dbraw/zinc/63/87/43/565638743.db2.gz RNIGVBSHIYUWJS-UHFFFAOYSA-N 2 1 396.373 2.784 20 0 GFADMP Cc1cccc(CC(=O)N(C)CCN(C)C2CC[NH+](C)CC2)c1Br ZINC000625561048 565638748 /nfs/dbraw/zinc/63/87/48/565638748.db2.gz RNIGVBSHIYUWJS-UHFFFAOYSA-N 2 1 396.373 2.784 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705961 565832485 /nfs/dbraw/zinc/83/24/85/565832485.db2.gz BCUZVLDMNJRXBN-BJJXKVORSA-N 2 1 397.313 2.896 20 0 GFADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629569315 565859672 /nfs/dbraw/zinc/85/96/72/565859672.db2.gz ZOOYQLKCFBUTSD-LLVKDONJSA-N 2 1 381.826 2.854 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629569315 565859675 /nfs/dbraw/zinc/85/96/75/565859675.db2.gz ZOOYQLKCFBUTSD-LLVKDONJSA-N 2 1 381.826 2.854 20 0 GFADMP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000632869489 566072400 /nfs/dbraw/zinc/07/24/00/566072400.db2.gz MIIQNAMNBOZSFN-JTQLQIEISA-N 2 1 392.322 2.892 20 0 GFADMP CC[N@@H+](CCOc1ccccc1-c1nn[nH]n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736541749 598509500 /nfs/dbraw/zinc/50/95/00/598509500.db2.gz JLTZCVAGFVRWNH-UHFFFAOYSA-N 2 1 380.496 2.829 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825860571 608698381 /nfs/dbraw/zinc/69/83/81/608698381.db2.gz RWESNNWFBKOCNC-SFHVURJKSA-N 2 1 392.507 2.829 20 0 GFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000825860571 608698385 /nfs/dbraw/zinc/69/83/85/608698385.db2.gz RWESNNWFBKOCNC-SFHVURJKSA-N 2 1 392.507 2.829 20 0 GFADMP CC[NH+]1CCC([N@@H+]2CCCN(Cn3nc(CSC)oc3=S)CC2)CC1 ZINC000817372014 660192261 /nfs/dbraw/zinc/19/22/61/660192261.db2.gz DQSZQZYADCXKAG-UHFFFAOYSA-N 2 1 385.603 2.518 20 0 GFADMP CC[NH+]1CCC([N@H+]2CCCN(Cn3nc(CSC)oc3=S)CC2)CC1 ZINC000817372014 660192263 /nfs/dbraw/zinc/19/22/63/660192263.db2.gz DQSZQZYADCXKAG-UHFFFAOYSA-N 2 1 385.603 2.518 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CCO2 ZINC000830631074 660667773 /nfs/dbraw/zinc/66/77/73/660667773.db2.gz VNMWFXSNWTWWLF-HNNXBMFYSA-N 2 1 389.323 2.530 20 0 GFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H](O)COc1cc(Cl)ccc1Cl)CCO2 ZINC000830631074 660667774 /nfs/dbraw/zinc/66/77/74/660667774.db2.gz VNMWFXSNWTWWLF-HNNXBMFYSA-N 2 1 389.323 2.530 20 0 GFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nc(Br)cs1 ZINC000834566181 660825081 /nfs/dbraw/zinc/82/50/81/660825081.db2.gz FWEBAGBKXVCFCS-LBPRGKRZSA-N 2 1 375.380 2.830 20 0 GFADMP COCCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000268881029 654990089 /nfs/dbraw/zinc/99/00/89/654990089.db2.gz XSTSUGZDHZATGR-ROUUACIJSA-N 2 1 385.346 2.963 20 0 GFADMP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000755776864 655888812 /nfs/dbraw/zinc/88/88/12/655888812.db2.gz DFIDEQUBKGUKBD-HNNXBMFYSA-N 2 1 377.583 2.840 20 0 GFADMP C[NH+]1CCC([C@H]2CC[N@@H+](CN3C(=S)N=NC3Cc3cccs3)C2)CC1 ZINC000755776864 655888813 /nfs/dbraw/zinc/88/88/13/655888813.db2.gz DFIDEQUBKGUKBD-HNNXBMFYSA-N 2 1 377.583 2.840 20 0 GFADMP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000760485558 655982277 /nfs/dbraw/zinc/98/22/77/655982277.db2.gz INLVDNPGDLBYNQ-SJLPKXTDSA-N 2 1 380.627 2.937 20 0 GFADMP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000760485556 655982309 /nfs/dbraw/zinc/98/23/09/655982309.db2.gz INLVDNPGDLBYNQ-AEFFLSMTSA-N 2 1 380.627 2.937 20 0 GFADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Br)c(F)c2F)C1 ZINC000863465290 662334031 /nfs/dbraw/zinc/33/40/31/662334031.db2.gz AGSQMDXCEWJWCS-GFCCVEGCSA-N 2 1 392.244 2.835 20 0 GFADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ccc(Br)c(F)c2F)C1 ZINC000863465290 662334033 /nfs/dbraw/zinc/33/40/33/662334033.db2.gz AGSQMDXCEWJWCS-GFCCVEGCSA-N 2 1 392.244 2.835 20 0 GFADMP C[C@@H](c1ccc(Br)cc1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550159 662336295 /nfs/dbraw/zinc/33/62/95/662336295.db2.gz ZQHZDXJCWXOBIB-VUCTXSBTSA-N 2 1 394.313 2.767 20 0 GFADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)COc1ccccc1Br ZINC000903125683 663775137 /nfs/dbraw/zinc/77/51/37/663775137.db2.gz NPOSVCVPVGKHSV-YQAQFAQXSA-N 2 1 395.341 2.936 20 0 GFADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCc2ccc(Br)cc2)cnn1C ZINC000903890312 663810098 /nfs/dbraw/zinc/81/00/98/663810098.db2.gz BXXVOAWVHOHNOC-MRXNPFEDSA-N 2 1 379.346 2.783 20 0 GFADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000911855081 664258880 /nfs/dbraw/zinc/25/88/80/664258880.db2.gz HBHSKXWBVPPCKD-GTNSWQLSSA-N 2 1 392.297 2.794 20 0 GFADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cc2)CC1 ZINC000922116306 664586357 /nfs/dbraw/zinc/58/63/57/664586357.db2.gz RDGQECVIIVNIIM-UHFFFAOYSA-N 2 1 379.302 2.935 20 0 GFADMP O[C@H](COc1cc(F)cc(Br)c1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000923280300 664627289 /nfs/dbraw/zinc/62/72/89/664627289.db2.gz GROFXVHPFSEOHQ-INIZCTEOSA-N 2 1 387.293 2.544 20 0 GFADMP [NH3+]CC[C@H]1CC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923479464 664631111 /nfs/dbraw/zinc/63/11/11/664631111.db2.gz PKDJMUZCXVZFBI-WCQYABFASA-N 2 1 377.710 2.513 20 0 GFADMP C[N@H+]1CC[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442235 664795074 /nfs/dbraw/zinc/79/50/74/664795074.db2.gz ZGEZNOXZWZJCTA-KEYYUXOJSA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442235 664795077 /nfs/dbraw/zinc/79/50/77/664795077.db2.gz ZGEZNOXZWZJCTA-KEYYUXOJSA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1CC[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@@H]2C1 ZINC000931442235 664795080 /nfs/dbraw/zinc/79/50/80/664795080.db2.gz ZGEZNOXZWZJCTA-KEYYUXOJSA-N 2 1 378.314 2.586 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)CC[C@@H]21 ZINC001164841474 720627678 /nfs/dbraw/zinc/62/76/78/720627678.db2.gz SFSBNPDVJMDCJX-GIVPXCGWSA-N 2 1 391.523 2.842 20 0 GFADMP COCC[N@@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@H]2C1 ZINC001164859548 720858912 /nfs/dbraw/zinc/85/89/12/720858912.db2.gz UHNVTHDMNKITEG-PXNSSMCTSA-N 2 1 399.539 2.720 20 0 GFADMP COCC[N@H+]1CCO[C@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@H]2C1 ZINC001164859548 720858914 /nfs/dbraw/zinc/85/89/14/720858914.db2.gz UHNVTHDMNKITEG-PXNSSMCTSA-N 2 1 399.539 2.720 20 0 GFADMP COc1cc[nH+]c(N2CCC[C@@]3(C2)COCC[N@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777672 721334135 /nfs/dbraw/zinc/33/41/35/721334135.db2.gz PDBHPOXNUKDBGY-OAQYLSRUSA-N 2 1 386.496 2.814 20 0 GFADMP COc1cc[nH+]c(N2CCC[C@@]3(C2)COCC[N@@H+](Cc2c(C)noc2C)C3)c1 ZINC001164777672 721334138 /nfs/dbraw/zinc/33/41/38/721334138.db2.gz PDBHPOXNUKDBGY-OAQYLSRUSA-N 2 1 386.496 2.814 20 0 GFADMP Brc1ccccc1OCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000093545829 551195244 /nfs/dbraw/zinc/19/52/44/551195244.db2.gz VEAUDXQXZAALIW-UHFFFAOYSA-N 2 1 383.330 2.872 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000152682166 551437965 /nfs/dbraw/zinc/43/79/65/551437965.db2.gz DPHFXADZFAPWNS-JKIFEVAISA-N 2 1 382.346 2.887 20 0 GFADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000155187801 551493874 /nfs/dbraw/zinc/49/38/74/551493874.db2.gz HMMCEQZAEWZPRA-KRWDZBQOSA-N 2 1 379.595 2.920 20 0 GFADMP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000155187801 551493875 /nfs/dbraw/zinc/49/38/75/551493875.db2.gz HMMCEQZAEWZPRA-KRWDZBQOSA-N 2 1 379.595 2.920 20 0 GFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174213520 552102188 /nfs/dbraw/zinc/10/21/88/552102188.db2.gz JZGZCPIISCCYOW-RDJZCZTQSA-N 2 1 385.346 2.853 20 0 GFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000174213520 552102190 /nfs/dbraw/zinc/10/21/90/552102190.db2.gz JZGZCPIISCCYOW-RDJZCZTQSA-N 2 1 385.346 2.853 20 0 GFADMP COc1c(Br)cccc1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000187207266 552409247 /nfs/dbraw/zinc/40/92/47/552409247.db2.gz KKIPRRFNHVABRM-UHFFFAOYSA-N 2 1 384.362 2.821 20 0 GFADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000369542976 563217459 /nfs/dbraw/zinc/21/74/59/563217459.db2.gz ZIPSXSGXCHDNDG-ZFWWWQNUSA-N 2 1 382.917 2.500 20 0 GFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](O)c2ccccc2Br)CC1 ZINC000295248425 563238621 /nfs/dbraw/zinc/23/86/21/563238621.db2.gz FMBKTMYELCKPRS-IBGZPJMESA-N 2 1 398.389 2.830 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccoc3Br)CC2)CC1 ZINC000373102573 563328547 /nfs/dbraw/zinc/32/85/47/563328547.db2.gz AVFYRFIOTGPYMO-UHFFFAOYSA-N 2 1 398.345 2.968 20 0 GFADMP C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)c1c[nH+]ccc1N ZINC000423167190 563357902 /nfs/dbraw/zinc/35/79/02/563357902.db2.gz DSJMEFVTNHKVEU-DGCLKSJQSA-N 2 1 382.277 2.898 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)C[C@@H]3C)c2cc1Br ZINC000425269374 563416062 /nfs/dbraw/zinc/41/60/62/563416062.db2.gz RBMOOXCCMGHZBR-LBPRGKRZSA-N 2 1 380.286 2.509 20 0 GFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000414370690 563729716 /nfs/dbraw/zinc/72/97/16/563729716.db2.gz VRHWPSUVPRFPHW-WBVHZDCISA-N 2 1 387.977 2.978 20 0 GFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(S(=O)(=O)c3cccs3)CC2)C1 ZINC000363787097 563732965 /nfs/dbraw/zinc/73/29/65/563732965.db2.gz VYBMRDIQNSWENN-MRXNPFEDSA-N 2 1 385.599 2.611 20 0 GFADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670028 563749419 /nfs/dbraw/zinc/74/94/19/563749419.db2.gz CNDITHTURLUVMB-MRXNPFEDSA-N 2 1 382.346 2.857 20 0 GFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccc(Br)cn3)C2)CC[NH2+]1 ZINC000414743353 563751872 /nfs/dbraw/zinc/75/18/72/563751872.db2.gz IQSJTOUBJJXBKJ-KFWWJZLASA-N 2 1 395.345 2.883 20 0 GFADMP C[C@@H]1c2cccc(Br)c2CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741790 563751876 /nfs/dbraw/zinc/75/18/76/563751876.db2.gz FSFFAFCOJNMEHJ-KGLIPLIRSA-N 2 1 380.330 2.566 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757174 563751936 /nfs/dbraw/zinc/75/19/36/563751936.db2.gz SASHIJBEORLQSN-GUYCJALGSA-N 2 1 398.320 2.922 20 0 GFADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759594 563752500 /nfs/dbraw/zinc/75/25/00/563752500.db2.gz FHUNRUYHZVZTGA-ZIAGYGMSSA-N 2 1 378.318 2.850 20 0 GFADMP COC[C@@]1(C[NH2+][C@@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939665 563754394 /nfs/dbraw/zinc/75/43/94/563754394.db2.gz GSAKEIOCVSVYKK-GUYCJALGSA-N 2 1 384.318 2.524 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414908928 563754632 /nfs/dbraw/zinc/75/46/32/563754632.db2.gz SEDRZOWXHFALMM-OAHLLOKOSA-N 2 1 399.329 2.931 20 0 GFADMP FC(F)(F)[C@@H](C[NH2+]Cc1csc(-c2ccsc2)n1)N1CC[NH2+]CC1 ZINC000414983920 563756165 /nfs/dbraw/zinc/75/61/65/563756165.db2.gz LVCVRNHTXGOSLQ-CYBMUJFWSA-N 2 1 376.473 2.797 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@@H]1c1cccs1 ZINC000416017226 563802613 /nfs/dbraw/zinc/80/26/13/563802613.db2.gz XXDVFPUVLFZAHW-MRVWCRGKSA-N 2 1 378.464 2.710 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCn1cc(Br)cn1 ZINC000367886433 563858471 /nfs/dbraw/zinc/85/84/71/563858471.db2.gz OPEPUTLTXSOYKS-OIISXLGYSA-N 2 1 385.350 2.515 20 0 GFADMP [NH3+]C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)C1 ZINC000417561330 563883372 /nfs/dbraw/zinc/88/33/72/563883372.db2.gz AWCOYPAFMCXZNW-CQSZACIVSA-N 2 1 385.339 2.948 20 0 GFADMP [NH3+][C@H](CNC(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1CC1 ZINC000417565657 563883488 /nfs/dbraw/zinc/88/34/88/563883488.db2.gz HEDUPFJCCKJCAC-QGZVFWFLSA-N 2 1 385.339 2.994 20 0 GFADMP CC(C)[C@@H]([NH3+])CNC(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000417885136 563890864 /nfs/dbraw/zinc/89/08/64/563890864.db2.gz ISFXBLXNPHYYKG-KRWDZBQOSA-N 2 1 397.361 2.696 20 0 GFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136665 563907273 /nfs/dbraw/zinc/90/72/73/563907273.db2.gz VTOLOEMQKOQPJO-MLGOLLRUSA-N 2 1 398.320 2.753 20 0 GFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000449136665 563907274 /nfs/dbraw/zinc/90/72/74/563907274.db2.gz VTOLOEMQKOQPJO-MLGOLLRUSA-N 2 1 398.320 2.753 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2ccc(OC)c(Br)c2)[C@H](C)C1 ZINC000449597164 564191043 /nfs/dbraw/zinc/19/10/43/564191043.db2.gz DFMAITUSRKIQTN-HFTRVMKXSA-N 2 1 399.373 2.929 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Br ZINC000449604688 564192117 /nfs/dbraw/zinc/19/21/17/564192117.db2.gz XYCMIYLPPJTABC-GVDBMIGSSA-N 2 1 397.357 2.825 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000508082859 564252740 /nfs/dbraw/zinc/25/27/40/564252740.db2.gz UQCOAPMGPJBOKT-INIZCTEOSA-N 2 1 387.977 2.685 20 0 GFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370283 564277623 /nfs/dbraw/zinc/27/76/23/564277623.db2.gz PFRSRKXGSBAERB-ZWKOTPCHSA-N 2 1 385.346 2.819 20 0 GFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(Br)cc1)C1CCC1 ZINC000565370283 564277626 /nfs/dbraw/zinc/27/76/26/564277626.db2.gz PFRSRKXGSBAERB-ZWKOTPCHSA-N 2 1 385.346 2.819 20 0 GFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000567605304 564379413 /nfs/dbraw/zinc/37/94/13/564379413.db2.gz MXVKLBJWZOOGEN-NVXWUHKLSA-N 2 1 385.346 2.756 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H](CO)Cc2ccccc2Br)s1 ZINC000511783003 564382299 /nfs/dbraw/zinc/38/22/99/564382299.db2.gz ANPYFZFYTXCGED-ZDUSSCGKSA-N 2 1 398.370 2.908 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000453380725 564456272 /nfs/dbraw/zinc/45/62/72/564456272.db2.gz RDWGMGHHZMZKJM-AHEZYBDSSA-N 2 1 399.373 2.927 20 0 GFADMP COc1sc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1Br ZINC000515093232 564469365 /nfs/dbraw/zinc/46/93/65/564469365.db2.gz HHMSGJCVDGAEJO-UHFFFAOYSA-N 2 1 378.380 2.835 20 0 GFADMP [NH3+]Cc1nc(C(=O)N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)cs1 ZINC000518537157 564555931 /nfs/dbraw/zinc/55/59/31/564555931.db2.gz YEZZOZDSQGVDOM-UHFFFAOYSA-N 2 1 378.929 2.993 20 0 GFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703850 564587591 /nfs/dbraw/zinc/58/75/91/564587591.db2.gz LCJZPQJUVHIRJZ-QZTJIDSGSA-N 2 1 387.362 2.849 20 0 GFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703850 564587594 /nfs/dbraw/zinc/58/75/94/564587594.db2.gz LCJZPQJUVHIRJZ-QZTJIDSGSA-N 2 1 387.362 2.849 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000552088666 564676539 /nfs/dbraw/zinc/67/65/39/564676539.db2.gz OYMTUZTZXVZBNZ-DYEKYZERSA-N 2 1 394.368 2.590 20 0 GFADMP C[N@@H+]1CCCN(CCC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527652560 564753134 /nfs/dbraw/zinc/75/31/34/564753134.db2.gz FSTUNHREEKPNFB-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527652560 564753138 /nfs/dbraw/zinc/75/31/38/564753138.db2.gz FSTUNHREEKPNFB-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484241 564804451 /nfs/dbraw/zinc/80/44/51/564804451.db2.gz YSNNJXJJVIMYJA-CJNGLKHVSA-N 2 1 389.309 2.649 20 0 GFADMP Brc1ccccc1-c1cnc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000581946841 564823943 /nfs/dbraw/zinc/82/39/43/564823943.db2.gz FBGDEGJTLGPBMW-AWEZNQCLSA-N 2 1 391.313 2.584 20 0 GFADMP Brc1ccccc1-c1cnc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000581946841 564823947 /nfs/dbraw/zinc/82/39/47/564823947.db2.gz FBGDEGJTLGPBMW-AWEZNQCLSA-N 2 1 391.313 2.584 20 0 GFADMP Fc1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219936 564873335 /nfs/dbraw/zinc/87/33/35/564873335.db2.gz LLINAJXURNZGET-XFBWCDHKSA-N 2 1 375.257 2.974 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ncc(Br)s1 ZINC000583111058 564876721 /nfs/dbraw/zinc/87/67/21/564876721.db2.gz GABABVPXWFLGLH-ZDUSSCGKSA-N 2 1 375.380 2.754 20 0 GFADMP O=C(CC[N@@H+]1CCC[C@@H]1c1cc(F)cc(Br)c1)N1CC[NH2+]CC1 ZINC000584232790 564926881 /nfs/dbraw/zinc/92/68/81/564926881.db2.gz YAXZIALUUDCBTR-MRXNPFEDSA-N 2 1 384.293 2.547 20 0 GFADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000657870734 565135297 /nfs/dbraw/zinc/13/52/97/565135297.db2.gz FFXCDGRJLHEWMC-WMZOPIPTSA-N 2 1 396.373 2.947 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1cc(Cl)ccc1Cl ZINC000617504178 565242350 /nfs/dbraw/zinc/24/23/50/565242350.db2.gz JEYHQJKOJQGSOM-ZDUSSCGKSA-N 2 1 376.328 2.760 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1cc(Cl)ccc1Cl ZINC000617504178 565242354 /nfs/dbraw/zinc/24/23/54/565242354.db2.gz JEYHQJKOJQGSOM-ZDUSSCGKSA-N 2 1 376.328 2.760 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000617506425 565243940 /nfs/dbraw/zinc/24/39/40/565243940.db2.gz MWVVCNCLZKFNHX-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1c(F)cc(Br)cc1F ZINC000617506425 565243946 /nfs/dbraw/zinc/24/39/46/565243946.db2.gz MWVVCNCLZKFNHX-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264050 565358138 /nfs/dbraw/zinc/35/81/38/565358138.db2.gz POCYCGGUNJLRKR-QAPCUYQASA-N 2 1 394.357 2.649 20 0 GFADMP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000662418155 565366397 /nfs/dbraw/zinc/36/63/97/565366397.db2.gz QKRLANSGXQTQBS-NSHDSACASA-N 2 1 386.359 2.964 20 0 GFADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)COc1cc(F)cc(Br)c1 ZINC000644524071 565480437 /nfs/dbraw/zinc/48/04/37/565480437.db2.gz PGFIUWILHGKPHV-ARFHVFGLSA-N 2 1 387.293 2.544 20 0 GFADMP Cc1ccc(Br)cc1[C@@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000623888614 565534367 /nfs/dbraw/zinc/53/43/67/565534367.db2.gz NHLATHLZDJAWRU-CABCVRRESA-N 2 1 382.346 2.996 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000629546889 565858003 /nfs/dbraw/zinc/85/80/03/565858003.db2.gz YSXJXMQIHJRHAF-SUMWQHHRSA-N 2 1 380.330 2.702 20 0 GFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccc(-c4nn[nH]n4)cc3)C2)nc(C)[nH+]1 ZINC000737272017 599317460 /nfs/dbraw/zinc/31/74/60/599317460.db2.gz OZZLGZKUSOQBAQ-RDTXWAMCSA-N 2 1 378.484 2.593 20 0 GFADMP c1sc(C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cc1-c1nn[nH]n1 ZINC000826521735 608135898 /nfs/dbraw/zinc/13/58/98/608135898.db2.gz XATKJRQNQINBET-SNRMKQJTSA-N 2 1 380.521 2.928 20 0 GFADMP c1cc(-c2nn[nH]n2)sc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000826521747 608135926 /nfs/dbraw/zinc/13/59/26/608135926.db2.gz XOWZYISUVOZTKL-CGTJXYLNSA-N 2 1 380.521 2.928 20 0 GFADMP C[C@H](CC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCCCC1 ZINC000824400523 608136144 /nfs/dbraw/zinc/13/61/44/608136144.db2.gz IZSVNFVNXJJCHQ-MRXNPFEDSA-N 2 1 394.527 2.621 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985574 608280997 /nfs/dbraw/zinc/28/09/97/608280997.db2.gz XNFWVCPFPZXCMN-UTKZUKDTSA-N 2 1 392.507 2.746 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ccc(-c2nn[nH]n2)cc1 ZINC000824985574 608280998 /nfs/dbraw/zinc/28/09/98/608280998.db2.gz XNFWVCPFPZXCMN-UTKZUKDTSA-N 2 1 392.507 2.746 20 0 GFADMP COc1cc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817966566 660212711 /nfs/dbraw/zinc/21/27/11/660212711.db2.gz QCMPYPFADBQQGO-SJCJKPOMSA-N 2 1 376.469 2.732 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818997776 660242675 /nfs/dbraw/zinc/24/26/75/660242675.db2.gz KUQKXRDINROASI-SJORKVTESA-N 2 1 388.339 2.559 20 0 GFADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(Cl)cc1Cl ZINC000818997776 660242676 /nfs/dbraw/zinc/24/26/76/660242676.db2.gz KUQKXRDINROASI-SJORKVTESA-N 2 1 388.339 2.559 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000113512103 655211736 /nfs/dbraw/zinc/21/17/36/655211736.db2.gz QSQNEQOSYWHZCH-OCCSQVGLSA-N 2 1 391.737 2.726 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000113512103 655211741 /nfs/dbraw/zinc/21/17/41/655211741.db2.gz QSQNEQOSYWHZCH-OCCSQVGLSA-N 2 1 391.737 2.726 20 0 GFADMP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000178671407 655307831 /nfs/dbraw/zinc/30/78/31/655307831.db2.gz BCZJCOYREYHBAJ-UONOGXRCSA-N 2 1 388.339 2.903 20 0 GFADMP Cn1nc(Br)cc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000785456078 657366158 /nfs/dbraw/zinc/36/61/58/657366158.db2.gz VYQBFULEXSKHQN-MRXNPFEDSA-N 2 1 377.330 2.837 20 0 GFADMP Cn1nc(Br)cc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000785456078 657366166 /nfs/dbraw/zinc/36/61/66/657366166.db2.gz VYQBFULEXSKHQN-MRXNPFEDSA-N 2 1 377.330 2.837 20 0 GFADMP Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(Br)c1 ZINC000863642218 662342057 /nfs/dbraw/zinc/34/20/57/662342057.db2.gz LCXVDHXNBCWAGY-SJORKVTESA-N 2 1 394.313 2.515 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000865450655 662422220 /nfs/dbraw/zinc/42/22/20/662422220.db2.gz PLMKRYHZBKZAPG-UHFFFAOYSA-N 2 1 375.742 2.615 20 0 GFADMP CC(C)C[N@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000877767906 662883207 /nfs/dbraw/zinc/88/32/07/662883207.db2.gz YNFMVHXDUBARKG-UHFFFAOYSA-N 2 1 387.977 2.787 20 0 GFADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(Br)cc1 ZINC000877993566 662887774 /nfs/dbraw/zinc/88/77/74/662887774.db2.gz QTTUVBFXKPPQMM-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H](O)c1ccc(Br)cc1 ZINC000878287403 662893115 /nfs/dbraw/zinc/89/31/15/662893115.db2.gz AYPGDCVHJSLMPN-ZJPYXAASSA-N 2 1 383.330 2.666 20 0 GFADMP CN1CC[NH+](CC2(C)CC[NH+](Cc3ncccc3Br)CC2)CC1 ZINC000878426819 662896181 /nfs/dbraw/zinc/89/61/81/662896181.db2.gz DXFITZGXRYIACK-UHFFFAOYSA-N 2 1 381.362 2.694 20 0 GFADMP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1)c1ccc(Br)cc1 ZINC000884422562 663070560 /nfs/dbraw/zinc/07/05/60/663070560.db2.gz ZUVCCCMQUOBCKW-YOEHRIQHSA-N 2 1 380.330 2.687 20 0 GFADMP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1cccc(Br)c1 ZINC000903120544 663774603 /nfs/dbraw/zinc/77/46/03/663774603.db2.gz PIAQCTAIQJMHRD-ZNXRZULTSA-N 2 1 392.341 2.926 20 0 GFADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911812314 664256877 /nfs/dbraw/zinc/25/68/77/664256877.db2.gz XCCIBVKPHPFWQX-KRWDZBQOSA-N 2 1 390.281 2.742 20 0 GFADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283914 664627468 /nfs/dbraw/zinc/62/74/68/664627468.db2.gz ZFMUZAUWQGHCRU-TZMCWYRMSA-N 2 1 391.737 2.774 20 0 GFADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283914 664627469 /nfs/dbraw/zinc/62/74/69/664627469.db2.gz ZFMUZAUWQGHCRU-TZMCWYRMSA-N 2 1 391.737 2.774 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000923400289 664629905 /nfs/dbraw/zinc/62/99/05/664629905.db2.gz ABMNAGIVSRSEPO-MCIONIFRSA-N 2 1 380.838 2.847 20 0 GFADMP Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000923400289 664629906 /nfs/dbraw/zinc/62/99/06/664629906.db2.gz ABMNAGIVSRSEPO-MCIONIFRSA-N 2 1 380.838 2.847 20 0 GFADMP CC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000579827056 677673617 /nfs/dbraw/zinc/67/36/17/677673617.db2.gz FDVQFMQFOJBWTI-CQSZACIVSA-N 2 1 391.737 2.916 20 0 GFADMP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817872 720161999 /nfs/dbraw/zinc/16/19/99/720161999.db2.gz QPYMZPDFQHDFJB-KNQAVFIVSA-N 2 1 385.556 2.652 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCCCC3)n1)C2 ZINC001164817872 720162026 /nfs/dbraw/zinc/16/20/26/720162026.db2.gz QPYMZPDFQHDFJB-KNQAVFIVSA-N 2 1 385.556 2.652 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(C[NH+](C)C)ccn3)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164838753 720626485 /nfs/dbraw/zinc/62/64/85/720626485.db2.gz LMKBODYWJGPVFJ-PCCBWWKXSA-N 2 1 382.556 2.718 20 0 GFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@@H]2C1 ZINC001164853570 720863741 /nfs/dbraw/zinc/86/37/41/720863741.db2.gz HNLVWOTVFXUBLC-DYESRHJHSA-N 2 1 385.508 2.725 20 0 GFADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@@H]2C1 ZINC001164853570 720863742 /nfs/dbraw/zinc/86/37/42/720863742.db2.gz HNLVWOTVFXUBLC-DYESRHJHSA-N 2 1 385.508 2.725 20 0 GFADMP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc(N5CCCC5)cc[nH+]4)CC[N@H+]3C2)c1 ZINC001164867271 721114314 /nfs/dbraw/zinc/11/43/14/721114314.db2.gz XPAJIHDJLRQIOX-RTWAWAEBSA-N 2 1 379.508 2.557 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773891 721183259 /nfs/dbraw/zinc/18/32/59/721183259.db2.gz XXPVLMVXNIQODL-QZTJIDSGSA-N 2 1 379.512 2.704 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@H]2CC[N@@H+](Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164773891 721183268 /nfs/dbraw/zinc/18/32/68/721183268.db2.gz XXPVLMVXNIQODL-QZTJIDSGSA-N 2 1 379.512 2.704 20 0 GFADMP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018725 721802768 /nfs/dbraw/zinc/80/27/68/721802768.db2.gz CEPKNSYIUBOJLK-IHPCNDPISA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165018725 721802769 /nfs/dbraw/zinc/80/27/69/721802769.db2.gz CEPKNSYIUBOJLK-IHPCNDPISA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165018725 721802770 /nfs/dbraw/zinc/80/27/70/721802770.db2.gz CEPKNSYIUBOJLK-IHPCNDPISA-N 2 1 380.540 2.983 20 0 GFADMP C[N@@H+](Cc1ccc(N(c2ccccn2)[C@@H]2C[NH2+]C[C@@H]3CCCO[C@@H]23)nc1)C1CC1 ZINC001164958019 722051403 /nfs/dbraw/zinc/05/14/03/722051403.db2.gz AKWVNUUWJHTXMA-JXHRLWIKSA-N 2 1 393.535 2.976 20 0 GFADMP CN(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000152366266 551432054 /nfs/dbraw/zinc/43/20/54/551432054.db2.gz DIODBBJIVGKTHS-UHFFFAOYSA-N 2 1 397.361 2.617 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CC1 ZINC000154818600 551483670 /nfs/dbraw/zinc/48/36/70/551483670.db2.gz WUOOEJUXPQQPAO-AWEZNQCLSA-N 2 1 398.345 2.867 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000166488436 551631774 /nfs/dbraw/zinc/63/17/74/551631774.db2.gz VTAGPQRUJDCCJL-JKSUJKDBSA-N 2 1 385.599 2.538 20 0 GFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCNS(=O)(=O)c3cccs3)CC2)C1 ZINC000181533395 552260069 /nfs/dbraw/zinc/26/00/69/552260069.db2.gz LSRJVPZLAVIAAK-WBVHZDCISA-N 2 1 385.599 2.659 20 0 GFADMP C[C@H]1CSCC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000190462971 552497743 /nfs/dbraw/zinc/49/77/43/552497743.db2.gz CCEDFYHMKNFVQA-MRXNPFEDSA-N 2 1 379.595 2.859 20 0 GFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CSC[NH2+]1)c1ccc(C(F)(F)F)cc1 ZINC000236885796 553072685 /nfs/dbraw/zinc/07/26/85/553072685.db2.gz CAVLTGHCKXWIES-HUUCEWRRSA-N 2 1 375.460 2.867 20 0 GFADMP C[C@@H](O)CC[N@@H+](C)Cc1ccc(Br)cc1C[NH+](C)CC[C@H](C)O ZINC000248846500 553135685 /nfs/dbraw/zinc/13/56/85/553135685.db2.gz AUJKOYUYRVSDBO-CABCVRRESA-N 2 1 387.362 2.855 20 0 GFADMP C[C@@H](O)CC[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)CC[C@H](C)O ZINC000248846500 553135686 /nfs/dbraw/zinc/13/56/86/553135686.db2.gz AUJKOYUYRVSDBO-CABCVRRESA-N 2 1 387.362 2.855 20 0 GFADMP C[C@@H](O)CC[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)CC[C@H](C)O ZINC000248846500 553135689 /nfs/dbraw/zinc/13/56/89/553135689.db2.gz AUJKOYUYRVSDBO-CABCVRRESA-N 2 1 387.362 2.855 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420411286 563263094 /nfs/dbraw/zinc/26/30/94/563263094.db2.gz YPJUDGUJVIQNCM-YJBOKZPZSA-N 2 1 394.357 2.872 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420411286 563263095 /nfs/dbraw/zinc/26/30/95/563263095.db2.gz YPJUDGUJVIQNCM-YJBOKZPZSA-N 2 1 394.357 2.872 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000280052360 563320219 /nfs/dbraw/zinc/32/02/19/563320219.db2.gz JQMGODBXLDDXNO-JTQLQIEISA-N 2 1 391.324 2.887 20 0 GFADMP C[C@@H]([NH2+]CCOc1ccc(I)cc1)c1c[nH+]ccc1N ZINC000423113686 563356082 /nfs/dbraw/zinc/35/60/82/563356082.db2.gz KVVOLMOIVVIFAL-LLVKDONJSA-N 2 1 383.233 2.828 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)c2cc1Br ZINC000425230565 563413557 /nfs/dbraw/zinc/41/35/57/563413557.db2.gz CIWOORVGYCLJHH-STQMWFEESA-N 2 1 394.313 2.897 20 0 GFADMP CCN1CC[NH+]([C@@H]2CCN(Cc3cccc(I)c3)C2)CC1 ZINC000284472261 563476325 /nfs/dbraw/zinc/47/63/25/563476325.db2.gz VXDHJDUUARBILY-QGZVFWFLSA-N 2 1 399.320 2.503 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2c3cccc(Br)c3CC2(C)C)CC1 ZINC000429373082 563515613 /nfs/dbraw/zinc/51/56/13/563515613.db2.gz QEXFSYPKYDIYAH-GOSISDBHSA-N 2 1 394.357 2.826 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000397308392 563531838 /nfs/dbraw/zinc/53/18/38/563531838.db2.gz HVBVPXFEHCIHPD-YXWQFLTLSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C)c1ccc(Br)cc1 ZINC000397308392 563531841 /nfs/dbraw/zinc/53/18/41/563531841.db2.gz HVBVPXFEHCIHPD-YXWQFLTLSA-N 2 1 382.346 2.932 20 0 GFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078306 563619294 /nfs/dbraw/zinc/61/92/94/563619294.db2.gz AGRLGWGQQKJSNG-MAUKXSAKSA-N 2 1 397.313 2.896 20 0 GFADMP C[C@@H](CNC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1)[NH+](C)C ZINC000413588812 563698720 /nfs/dbraw/zinc/69/87/20/563698720.db2.gz GVBUKJSWCQISMT-AWEZNQCLSA-N 2 1 397.361 2.663 20 0 GFADMP CC[C@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743967 563751900 /nfs/dbraw/zinc/75/19/00/563751900.db2.gz NUNAJORTWBHELR-DOTOQJQBSA-N 2 1 396.373 2.899 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000414928628 563754582 /nfs/dbraw/zinc/75/45/82/563754582.db2.gz NALRRBWBVTZVTL-ACJLOTCBSA-N 2 1 394.357 2.950 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000416028497 563803104 /nfs/dbraw/zinc/80/31/04/563803104.db2.gz JZPGPOOADFFOAB-MELADBBJSA-N 2 1 378.826 2.664 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000416028497 563803105 /nfs/dbraw/zinc/80/31/05/563803105.db2.gz JZPGPOOADFFOAB-MELADBBJSA-N 2 1 378.826 2.664 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CSCC(F)(F)F)CC2)CC1 ZINC000367139090 563832629 /nfs/dbraw/zinc/83/26/29/563832629.db2.gz IMDKOZVXNPKQIU-UHFFFAOYSA-N 2 1 381.508 2.594 20 0 GFADMP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)CCC1 ZINC000417882181 563890267 /nfs/dbraw/zinc/89/02/67/563890267.db2.gz FWYNUILXRWAOHA-UHFFFAOYSA-N 2 1 395.345 2.594 20 0 GFADMP [NH3+]C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C1 ZINC000417999689 563894764 /nfs/dbraw/zinc/89/47/64/563894764.db2.gz VDZVWNWHHMVULU-ZDUSSCGKSA-N 2 1 385.339 2.948 20 0 GFADMP Brc1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)c1)OCC2 ZINC000564988714 564260646 /nfs/dbraw/zinc/26/06/46/564260646.db2.gz OQAGSEPXIYSITN-BBWFWOEESA-N 2 1 381.314 2.631 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1cc(S(N)(=O)=O)c(Cl)cc1Cl ZINC000567895598 564395705 /nfs/dbraw/zinc/39/57/05/564395705.db2.gz QIQDLBISUBQQLT-JTQLQIEISA-N 2 1 388.320 2.950 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479067212 564424048 /nfs/dbraw/zinc/42/40/48/564424048.db2.gz VRUNOOMOCGYEDG-QGZVFWFLSA-N 2 1 394.357 2.925 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1Br ZINC000453380733 564456224 /nfs/dbraw/zinc/45/62/24/564456224.db2.gz RDWGMGHHZMZKJM-YQYZPQCESA-N 2 1 399.373 2.927 20 0 GFADMP C[NH+](C)[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279932 564509218 /nfs/dbraw/zinc/50/92/18/564509218.db2.gz ZCNKKMDUFDJORI-AEFFLSMTSA-N 2 1 384.977 2.679 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681752 564561866 /nfs/dbraw/zinc/56/18/66/564561866.db2.gz DDRJEKGUGZZOJI-XIRDDKMYSA-N 2 1 394.357 2.948 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)c(F)c2)CC1 ZINC000520000825 564596143 /nfs/dbraw/zinc/59/61/43/564596143.db2.gz OGNNYJGTBIPRHJ-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP C[N@@H+](Cc1cn(-c2ccccc2Br)nn1)CC1CC[NH+](C)CC1 ZINC000521638462 564632312 /nfs/dbraw/zinc/63/23/12/564632312.db2.gz AXPRFMWEBHPIQV-UHFFFAOYSA-N 2 1 378.318 2.803 20 0 GFADMP C[N@H+](Cc1cn(-c2ccccc2Br)nn1)CC1CC[NH+](C)CC1 ZINC000521638462 564632316 /nfs/dbraw/zinc/63/23/16/564632316.db2.gz AXPRFMWEBHPIQV-UHFFFAOYSA-N 2 1 378.318 2.803 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350470 564743286 /nfs/dbraw/zinc/74/32/86/564743286.db2.gz DNKZYNNWXQQYTM-SQWLQELKSA-N 2 1 377.476 2.736 20 0 GFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685745 564756615 /nfs/dbraw/zinc/75/66/15/564756615.db2.gz BEYLLRRBRKRASV-WBAXXEDZSA-N 2 1 385.321 2.956 20 0 GFADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(F)c(Br)cc1F ZINC000527858912 564763482 /nfs/dbraw/zinc/76/34/82/564763482.db2.gz NASXFWUDMOBVSI-NSHDSACASA-N 2 1 390.272 2.542 20 0 GFADMP Cc1cc(Br)cc2c1[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000493977359 564814900 /nfs/dbraw/zinc/81/49/00/564814900.db2.gz NMHOGJAMTCOUSC-NVXWUHKLSA-N 2 1 394.357 2.922 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c(Br)c1O ZINC000556964139 564848786 /nfs/dbraw/zinc/84/87/86/564848786.db2.gz GEINHKPIZMBWKP-RDTXWAMCSA-N 2 1 399.329 2.882 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1O ZINC000530248123 564873069 /nfs/dbraw/zinc/87/30/69/564873069.db2.gz GNAGVFPLFHHOII-OAHLLOKOSA-N 2 1 399.329 2.754 20 0 GFADMP [NH3+][C@H](CC(F)F)C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000498200904 564891890 /nfs/dbraw/zinc/89/18/90/564891890.db2.gz LBMGUDYNUULMBL-CQSZACIVSA-N 2 1 390.272 2.512 20 0 GFADMP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636066535 565088845 /nfs/dbraw/zinc/08/88/45/565088845.db2.gz VZGJZJZTYDIDTP-AWEZNQCLSA-N 2 1 397.361 2.727 20 0 GFADMP C[C@@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)CN1CC[NH+](C)CC1 ZINC000638553154 565201834 /nfs/dbraw/zinc/20/18/34/565201834.db2.gz RGYPCBIBJDLTFH-ZDUSSCGKSA-N 2 1 381.318 2.563 20 0 GFADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313021 565211695 /nfs/dbraw/zinc/21/16/95/565211695.db2.gz BZXWFSWXYLIBRQ-ZYHUDNBSSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313021 565211697 /nfs/dbraw/zinc/21/16/97/565211697.db2.gz BZXWFSWXYLIBRQ-ZYHUDNBSSA-N 2 1 384.343 2.670 20 0 GFADMP [NH3+]Cc1ccc(CNC(=O)c2sc3c(c2Br)C[NH2+]C3)c(F)c1 ZINC000659329900 565213476 /nfs/dbraw/zinc/21/34/76/565213476.db2.gz YZBCUVYHDDDTGU-UHFFFAOYSA-N 2 1 384.274 2.642 20 0 GFADMP C[NH+]1CCC(n2cc(NC(=O)[C@H]([NH3+])c3ccccc3Br)cn2)CC1 ZINC000638977715 565219644 /nfs/dbraw/zinc/21/96/44/565219644.db2.gz OOKMDUGMCRMQCQ-MRXNPFEDSA-N 2 1 392.301 2.551 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)CCO1 ZINC000662326036 565360144 /nfs/dbraw/zinc/36/01/44/565360144.db2.gz URBVGTNMEKABPW-KRWDZBQOSA-N 2 1 398.345 2.820 20 0 GFADMP [NH3+][C@@H](C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1ccccc1Br ZINC000662684957 565382045 /nfs/dbraw/zinc/38/20/45/565382045.db2.gz MDSDURZHMVPTTD-IAGOWNOFSA-N 2 1 390.281 2.749 20 0 GFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)cc(Br)c1N ZINC000641776145 565398730 /nfs/dbraw/zinc/39/87/30/565398730.db2.gz SYBBSQXVYHUNTJ-UHFFFAOYSA-N 2 1 388.107 2.860 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccsc1Br ZINC000664838407 565481198 /nfs/dbraw/zinc/48/11/98/565481198.db2.gz SZTWCMAKQQVDJY-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)NCc1ccsc1Br ZINC000664838407 565481204 /nfs/dbraw/zinc/48/12/04/565481204.db2.gz SZTWCMAKQQVDJY-LBPRGKRZSA-N 2 1 391.379 2.582 20 0 GFADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)(F)F)c(Br)c2)CCOCC1 ZINC000629654720 565865222 /nfs/dbraw/zinc/86/52/22/565865222.db2.gz PZVQOWCJCODEIV-UHFFFAOYSA-N 2 1 383.208 2.945 20 0 GFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625070 609406774 /nfs/dbraw/zinc/40/67/74/609406774.db2.gz FGFAEZPEAYJFRA-IIBYNOLFSA-N 2 1 392.507 2.674 20 0 GFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625069 609406788 /nfs/dbraw/zinc/40/67/88/609406788.db2.gz FGFAEZPEAYJFRA-IERDGZPVSA-N 2 1 392.507 2.674 20 0 GFADMP C[NH+](C)C/C=C/C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000268718051 654984147 /nfs/dbraw/zinc/98/41/47/654984147.db2.gz NIMUSNFBDGNKAJ-ONEGZZNKSA-N 2 1 380.330 2.648 20 0 GFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cc(Br)ncc1F ZINC000273917391 655164251 /nfs/dbraw/zinc/16/42/51/655164251.db2.gz YYLUEZVKBRAQTF-CYBMUJFWSA-N 2 1 387.341 2.907 20 0 GFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276631834 655281479 /nfs/dbraw/zinc/28/14/79/655281479.db2.gz GKJPXDVSACSYOP-UHFFFAOYSA-N 2 1 379.302 2.580 20 0 GFADMP C[NH+](CCCCO)Cc1cc(Br)ccc1C[N@@H+](C)CCCCO ZINC000277516996 655324246 /nfs/dbraw/zinc/32/42/46/655324246.db2.gz QMHHIGKDPBHCCI-UHFFFAOYSA-N 2 1 387.362 2.858 20 0 GFADMP C[NH+](CCCCO)Cc1ccc(Br)cc1C[N@H+](C)CCCCO ZINC000277516996 655324249 /nfs/dbraw/zinc/32/42/49/655324249.db2.gz QMHHIGKDPBHCCI-UHFFFAOYSA-N 2 1 387.362 2.858 20 0 GFADMP C[NH+](CCCCO)Cc1ccc(Br)cc1C[N@@H+](C)CCCCO ZINC000277516996 655324253 /nfs/dbraw/zinc/32/42/53/655324253.db2.gz QMHHIGKDPBHCCI-UHFFFAOYSA-N 2 1 387.362 2.858 20 0 GFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000579138980 655494566 /nfs/dbraw/zinc/49/45/66/655494566.db2.gz ZIEXNSKPARBCFP-UHFFFAOYSA-N 2 1 398.345 2.603 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000746676412 655766382 /nfs/dbraw/zinc/76/63/82/655766382.db2.gz UVRLHZMAYXVRSY-ROUUACIJSA-N 2 1 385.346 2.915 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](O)c2cccc(Br)c2)C1 ZINC000746676412 655766385 /nfs/dbraw/zinc/76/63/85/655766385.db2.gz UVRLHZMAYXVRSY-ROUUACIJSA-N 2 1 385.346 2.915 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=S)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000840764820 661185230 /nfs/dbraw/zinc/18/52/30/661185230.db2.gz AODZXJVJJJLDPN-AEFFLSMTSA-N 2 1 380.627 2.960 20 0 GFADMP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000762460877 656042696 /nfs/dbraw/zinc/04/26/96/656042696.db2.gz KONLGTWNNVNGJQ-YOEHRIQHSA-N 2 1 386.968 2.888 20 0 GFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc2ccc(Br)cc2s1 ZINC000774990793 656581816 /nfs/dbraw/zinc/58/18/16/656581816.db2.gz DGXYWWGYEIYRKL-GFCCVEGCSA-N 2 1 383.359 2.784 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)Oc1ccc(Br)cc1 ZINC000849088014 661691284 /nfs/dbraw/zinc/69/12/84/661691284.db2.gz NGGFZPOZNVOQDB-UKRRQHHQSA-N 2 1 383.334 2.815 20 0 GFADMP CC[N@@H+](CCC1CC[NH+](CCn2cnc(Br)n2)CC1)CC1CC1 ZINC000851889437 661843658 /nfs/dbraw/zinc/84/36/58/661843658.db2.gz JAQMWDITQDYREH-UHFFFAOYSA-N 2 1 384.366 2.875 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872148037 662756638 /nfs/dbraw/zinc/75/66/38/662756638.db2.gz HFEFTDFDZCQNOZ-MNOVXSKESA-N 2 1 394.235 2.847 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@@H]1C(F)(F)F ZINC000872148037 662756641 /nfs/dbraw/zinc/75/66/41/662756641.db2.gz HFEFTDFDZCQNOZ-MNOVXSKESA-N 2 1 394.235 2.847 20 0 GFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873047438 662797462 /nfs/dbraw/zinc/79/74/62/662797462.db2.gz ULVKSBCGHVDSJJ-AWEZNQCLSA-N 2 1 379.346 2.666 20 0 GFADMP C[NH+]1CCC2(CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)CC1 ZINC000877191670 662872161 /nfs/dbraw/zinc/87/21/61/662872161.db2.gz AUTCJURFKJUSSN-INIZCTEOSA-N 2 1 380.330 2.783 20 0 GFADMP COCC[N@H+](Cc1cnc2ccc(Br)cn12)CC1CC[NH+](C)CC1 ZINC000877665637 662881248 /nfs/dbraw/zinc/88/12/48/662881248.db2.gz ZPYHPWLZCSISJA-UHFFFAOYSA-N 2 1 395.345 2.887 20 0 GFADMP C[NH+]1CCC(C[N@@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC1 ZINC000898068858 663632122 /nfs/dbraw/zinc/63/21/22/663632122.db2.gz SFYCDPNZAJXFNS-UHFFFAOYSA-N 2 1 381.240 2.822 20 0 GFADMP C[NH+]1CCC(C[N@H+]2CCn3c(c(Br)nc3C(F)(F)F)C2)CC1 ZINC000898068858 663632123 /nfs/dbraw/zinc/63/21/23/663632123.db2.gz SFYCDPNZAJXFNS-UHFFFAOYSA-N 2 1 381.240 2.822 20 0 GFADMP COc1c(Br)cccc1CN1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903980747 663814986 /nfs/dbraw/zinc/81/49/86/663814986.db2.gz ZEFINWRUFUSLQX-CALCHBBNSA-N 2 1 394.357 2.858 20 0 GFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3nc(Br)c[nH]3)CC2)oc1C ZINC000921730896 664564892 /nfs/dbraw/zinc/56/48/92/664564892.db2.gz FTALLDBIDAALOH-UHFFFAOYSA-N 2 1 382.306 2.779 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(Br)cn3)C2)[C@H]1C(C)C ZINC000922392173 664598871 /nfs/dbraw/zinc/59/88/71/664598871.db2.gz BYTTVAMGUIYDEX-BRSBDYLESA-N 2 1 382.346 2.804 20 0 GFADMP C[NH2+]C[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283912 664627399 /nfs/dbraw/zinc/62/73/99/664627399.db2.gz ZFMUZAUWQGHCRU-OCCSQVGLSA-N 2 1 391.737 2.774 20 0 GFADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283912 664627400 /nfs/dbraw/zinc/62/74/00/664627400.db2.gz ZFMUZAUWQGHCRU-OCCSQVGLSA-N 2 1 391.737 2.774 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330700 664628468 /nfs/dbraw/zinc/62/84/68/664628468.db2.gz CKBWTASHIXQQHX-CZUORRHYSA-N 2 1 389.721 2.528 20 0 GFADMP O[C@@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000923330700 664628469 /nfs/dbraw/zinc/62/84/69/664628469.db2.gz CKBWTASHIXQQHX-CZUORRHYSA-N 2 1 389.721 2.528 20 0 GFADMP CC1([NH3+])CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Br)CC1 ZINC000923346226 664628704 /nfs/dbraw/zinc/62/87/04/664628704.db2.gz OIVCHYGGIZUPQD-GFCCVEGCSA-N 2 1 377.710 2.655 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2CC[C@@H]3[NH2+]CCO[C@@H]3C2)n1 ZINC001164389899 718824485 /nfs/dbraw/zinc/82/44/85/718824485.db2.gz KRFVFIKWMMYACR-JKSUJKDBSA-N 2 1 389.569 2.717 20 0 GFADMP COc1ccccc1-c1ccc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nn1 ZINC001164679793 719641196 /nfs/dbraw/zinc/64/11/96/719641196.db2.gz NDSKJVUBYNIFDR-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1ccccc1-c1ccc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nn1 ZINC001164679793 719641204 /nfs/dbraw/zinc/64/12/04/719641204.db2.gz NDSKJVUBYNIFDR-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ncnc4c2CC[NH2+]C4)CC3)cs1 ZINC001164691205 719805803 /nfs/dbraw/zinc/80/58/03/719805803.db2.gz FQYWCLIXUCGDNW-UHFFFAOYSA-N 2 1 384.553 2.522 20 0 GFADMP CCN(C)c1cc(C)[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)n1 ZINC001164834440 720505130 /nfs/dbraw/zinc/50/51/30/720505130.db2.gz GMRFXGLBOJTXGJ-SLFFLAALSA-N 2 1 397.571 2.815 20 0 GFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@H]2C1 ZINC001164853571 720863605 /nfs/dbraw/zinc/86/36/05/720863605.db2.gz HNLVWOTVFXUBLC-LAUBAEHRSA-N 2 1 385.508 2.725 20 0 GFADMP COCC[N@H+]1CCO[C@@H]2CN(c3cc(C)c4ccc(OC)cc4[nH+]3)CC[C@H]2C1 ZINC001164853571 720863609 /nfs/dbraw/zinc/86/36/09/720863609.db2.gz HNLVWOTVFXUBLC-LAUBAEHRSA-N 2 1 385.508 2.725 20 0 GFADMP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cccc(N3CCOCC3)[nH+]1)[C@@H]2C ZINC001164858098 720986908 /nfs/dbraw/zinc/98/69/08/720986908.db2.gz GWMLCMPCKOGJCT-QGZVFWFLSA-N 2 1 384.528 2.536 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)[nH+]1 ZINC001164889514 721417257 /nfs/dbraw/zinc/41/72/57/721417257.db2.gz RIFPLFJKBSJFFH-PGRDOPGGSA-N 2 1 383.540 2.637 20 0 GFADMP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018723 721802863 /nfs/dbraw/zinc/80/28/63/721802863.db2.gz CEPKNSYIUBOJLK-DFQSSKMNSA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165018723 721802865 /nfs/dbraw/zinc/80/28/65/721802865.db2.gz CEPKNSYIUBOJLK-DFQSSKMNSA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165018723 721802866 /nfs/dbraw/zinc/80/28/66/721802866.db2.gz CEPKNSYIUBOJLK-DFQSSKMNSA-N 2 1 380.540 2.983 20 0 GFADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)NC[C@H](O)C[NH+](C)C ZINC000154270204 551470861 /nfs/dbraw/zinc/47/08/61/551470861.db2.gz UCHQHMKTQWSRAT-GUYCJALGSA-N 2 1 381.314 2.882 20 0 GFADMP CCS[C@H]1CCCC[N@@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)C1 ZINC000261483496 553153610 /nfs/dbraw/zinc/15/36/10/553153610.db2.gz XXVMTTGHWWSDIC-SFHVURJKSA-N 2 1 381.611 3.000 20 0 GFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@H]21 ZINC000262040514 553164859 /nfs/dbraw/zinc/16/48/59/553164859.db2.gz YGXKRAMEKSXBLI-BMGDILEWSA-N 2 1 394.357 2.845 20 0 GFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Br)cc3N3CCOCC3)C[C@H]21 ZINC000262040514 553164860 /nfs/dbraw/zinc/16/48/60/553164860.db2.gz YGXKRAMEKSXBLI-BMGDILEWSA-N 2 1 394.357 2.845 20 0 GFADMP Cc1ccc(Br)c(C(=O)N(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1 ZINC000370573704 563248980 /nfs/dbraw/zinc/24/89/80/563248980.db2.gz JKABPZPAKLOGGV-MRXNPFEDSA-N 2 1 394.357 2.998 20 0 GFADMP Cc1nn(C)c(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)c1Br ZINC000279022211 563280394 /nfs/dbraw/zinc/28/03/94/563280394.db2.gz AMJQSHHCJOWBPU-UHFFFAOYSA-N 2 1 393.333 2.656 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(Br)cc2F)CC1 ZINC000411733602 563631681 /nfs/dbraw/zinc/63/16/81/563631681.db2.gz WAGZDZASHXKFJH-GFCCVEGCSA-N 2 1 386.309 2.839 20 0 GFADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(I)c1OC ZINC000435375716 563649022 /nfs/dbraw/zinc/64/90/22/563649022.db2.gz NWEWFMJSWDIFCI-UHFFFAOYSA-N 2 1 392.281 2.725 20 0 GFADMP CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435626503 563655552 /nfs/dbraw/zinc/65/55/52/563655552.db2.gz KRHUWSJNZCXSHJ-INIZCTEOSA-N 2 1 382.346 2.872 20 0 GFADMP CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435626503 563655554 /nfs/dbraw/zinc/65/55/54/563655554.db2.gz KRHUWSJNZCXSHJ-INIZCTEOSA-N 2 1 382.346 2.872 20 0 GFADMP CN(CC[NH+](C)C)C(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000413886786 563708896 /nfs/dbraw/zinc/70/88/96/563708896.db2.gz VHGICGZQTKISAJ-UHFFFAOYSA-N 2 1 397.361 2.617 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000366220276 563802067 /nfs/dbraw/zinc/80/20/67/563802067.db2.gz UJTCHIRNSGUNLK-XOKHGSTOSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366220276 563802072 /nfs/dbraw/zinc/80/20/72/563802072.db2.gz UJTCHIRNSGUNLK-XOKHGSTOSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@@H]1CC[NH2+][C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000565545680 564285614 /nfs/dbraw/zinc/28/56/14/564285614.db2.gz WXBYMFPCOUPDRC-KDOFPFPSSA-N 2 1 394.357 2.918 20 0 GFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000542842719 564328867 /nfs/dbraw/zinc/32/88/67/564328867.db2.gz XITGXUGLXUSIHM-DOTOQJQBSA-N 2 1 385.599 2.659 20 0 GFADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000512009009 564389262 /nfs/dbraw/zinc/38/92/62/564389262.db2.gz SBDLTRRVLJIIBI-PWSUYJOCSA-N 2 1 381.826 2.588 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2ccc(Cl)cc2Cl)CCCO1 ZINC000569232107 564454491 /nfs/dbraw/zinc/45/44/91/564454491.db2.gz JYELKKIIMJZPIL-GDBMZVCRSA-N 2 1 391.339 2.824 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Br)c3c(c2)OCCO3)CC1 ZINC000569811225 564479230 /nfs/dbraw/zinc/47/92/30/564479230.db2.gz XNVYRCQPTGSIPO-WBVHZDCISA-N 2 1 397.313 2.549 20 0 GFADMP C[C@H](C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C)[NH+]1CC(C)C1 ZINC000516088043 564493166 /nfs/dbraw/zinc/49/31/66/564493166.db2.gz HTIHCECJLBNANC-CQSZACIVSA-N 2 1 397.361 2.726 20 0 GFADMP COc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(Br)c1 ZINC000571053357 564533677 /nfs/dbraw/zinc/53/36/77/564533677.db2.gz OFZTUCMBSGNGRW-UHFFFAOYSA-N 2 1 384.362 2.916 20 0 GFADMP COc1ccc(CN(C)CCN(C)C2CC[NH+](C)CC2)c(Br)c1 ZINC000571053357 564533681 /nfs/dbraw/zinc/53/36/81/564533681.db2.gz OFZTUCMBSGNGRW-UHFFFAOYSA-N 2 1 384.362 2.916 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(F)cc2Br)CC1 ZINC000522254982 564648177 /nfs/dbraw/zinc/64/81/77/564648177.db2.gz YPOYZXKKPKJLSA-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000552275876 564684262 /nfs/dbraw/zinc/68/42/62/564684262.db2.gz CQLLNIGEPABDRU-NXNVCVFFSA-N 2 1 383.330 2.651 20 0 GFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000575326788 564696944 /nfs/dbraw/zinc/69/69/44/564696944.db2.gz FTVBIABGWQUJHY-INIZCTEOSA-N 2 1 387.362 2.607 20 0 GFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)Cc1ccc(Br)c(C)c1 ZINC000575326788 564696946 /nfs/dbraw/zinc/69/69/46/564696946.db2.gz FTVBIABGWQUJHY-INIZCTEOSA-N 2 1 387.362 2.607 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000462039947 564812677 /nfs/dbraw/zinc/81/26/77/564812677.db2.gz KQBVMJZYJTYLFU-QGZVFWFLSA-N 2 1 382.346 2.728 20 0 GFADMP Brc1cc2c(cc1C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)OCO2 ZINC000530244239 564873021 /nfs/dbraw/zinc/87/30/21/564873021.db2.gz ZUBJOPZWUNMYIU-HNNXBMFYSA-N 2 1 397.313 2.768 20 0 GFADMP Brc1ccc(-c2noc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)s1 ZINC000583143483 564877152 /nfs/dbraw/zinc/87/71/52/564877152.db2.gz MZEZHHPNVFSJJD-PHIMTYICSA-N 2 1 383.315 2.992 20 0 GFADMP C[NH+]1CCN(c2ncc(C[NH2+]CCc3cccc(Cl)c3Cl)cn2)CC1 ZINC000531631646 564915900 /nfs/dbraw/zinc/91/59/00/564915900.db2.gz HSTVAJOCNIYDHP-UHFFFAOYSA-N 2 1 380.323 2.868 20 0 GFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(I)c(C)c2)CC1 ZINC000467382446 564962006 /nfs/dbraw/zinc/96/20/06/564962006.db2.gz OZLHLJPTUUMJDW-UHFFFAOYSA-N 2 1 388.293 2.800 20 0 GFADMP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000563097514 565055283 /nfs/dbraw/zinc/05/52/83/565055283.db2.gz WADUFBMAFUFMHR-SJORKVTESA-N 2 1 386.323 2.580 20 0 GFADMP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000638132306 565186163 /nfs/dbraw/zinc/18/61/63/565186163.db2.gz PVUUSNDHQYFPJJ-INIZCTEOSA-N 2 1 378.314 2.577 20 0 GFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000639176688 565230548 /nfs/dbraw/zinc/23/05/48/565230548.db2.gz JALUWRAMUFLNCD-CQSZACIVSA-N 2 1 378.318 2.656 20 0 GFADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)CC1 ZINC000639763387 565258752 /nfs/dbraw/zinc/25/87/52/565258752.db2.gz QNFTWBXCDOPOLT-MRXNPFEDSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288270 /nfs/dbraw/zinc/28/82/70/565288270.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288272 /nfs/dbraw/zinc/28/82/72/565288272.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288273 /nfs/dbraw/zinc/28/82/73/565288273.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651811 565288275 /nfs/dbraw/zinc/28/82/75/565288275.db2.gz CKQZVEPYZCPRRJ-WMZOPIPTSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CCO1 ZINC000662324427 565360961 /nfs/dbraw/zinc/36/09/61/565360961.db2.gz XSBZQGSJWLNVCY-KRWDZBQOSA-N 2 1 398.345 2.820 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662520889 565373997 /nfs/dbraw/zinc/37/39/97/565373997.db2.gz BBZCZXAEDMDOQT-MNOVXSKESA-N 2 1 384.343 2.576 20 0 GFADMP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662579091 565378479 /nfs/dbraw/zinc/37/84/79/565378479.db2.gz ZDADSODZVPTARI-CVEARBPZSA-N 2 1 380.330 2.686 20 0 GFADMP CC1(C)CC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000662750336 565384592 /nfs/dbraw/zinc/38/45/92/565384592.db2.gz BSYSDTWAARALQC-QGZVFWFLSA-N 2 1 394.357 2.918 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362912 565415378 /nfs/dbraw/zinc/41/53/78/565415378.db2.gz FNFWKPWMVJJSQG-CVEARBPZSA-N 2 1 389.323 2.576 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cc(Br)cnn1 ZINC000663700545 565431331 /nfs/dbraw/zinc/43/13/31/565431331.db2.gz RFORKXINHPYKSI-UHFFFAOYSA-N 2 1 396.377 2.872 20 0 GFADMP COc1cc(C(=O)N(C)CC[N@@H+](C)C2CCN(C)CC2)ccc1Br ZINC000625560722 565638935 /nfs/dbraw/zinc/63/89/35/565638935.db2.gz PHPJVPMGTUZQIF-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP COc1cc(C(=O)N(C)CCN(C)C2CC[NH+](C)CC2)ccc1Br ZINC000625560722 565638938 /nfs/dbraw/zinc/63/89/38/565638938.db2.gz PHPJVPMGTUZQIF-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978393 565686415 /nfs/dbraw/zinc/68/64/15/565686415.db2.gz RIMHFUHOHXYGBZ-UXLLHSPISA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978393 565686419 /nfs/dbraw/zinc/68/64/19/565686419.db2.gz RIMHFUHOHXYGBZ-UXLLHSPISA-N 2 1 380.330 2.687 20 0 GFADMP Cc1cc(Br)cc(C)c1N1CCC[C@H]([NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000671678015 565779783 /nfs/dbraw/zinc/77/97/83/565779783.db2.gz AKIUIVZFEBGDGH-ZOBUZTSGSA-N 2 1 392.341 2.713 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl ZINC000629568008 565859457 /nfs/dbraw/zinc/85/94/57/565859457.db2.gz RIHOMJVVWHYLLE-STQMWFEESA-N 2 1 376.328 2.727 20 0 GFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000604389131 565928671 /nfs/dbraw/zinc/92/86/71/565928671.db2.gz FVFTZWPAOOIPOL-QGZVFWFLSA-N 2 1 382.346 2.540 20 0 GFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3ccc(Br)cc3)CC2)C1 ZINC000604389131 565928674 /nfs/dbraw/zinc/92/86/74/565928674.db2.gz FVFTZWPAOOIPOL-QGZVFWFLSA-N 2 1 382.346 2.540 20 0 GFADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccncc3Br)cc2)C1 ZINC000631172217 565945447 /nfs/dbraw/zinc/94/54/47/565945447.db2.gz JEYUNSNGLMIHGU-KRWDZBQOSA-N 2 1 376.298 2.701 20 0 GFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccncc3Br)cc2)C1 ZINC000631172217 565945450 /nfs/dbraw/zinc/94/54/50/565945450.db2.gz JEYUNSNGLMIHGU-KRWDZBQOSA-N 2 1 376.298 2.701 20 0 GFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265454 598870652 /nfs/dbraw/zinc/87/06/52/598870652.db2.gz AZNSURGMIVRIMY-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265454 598870653 /nfs/dbraw/zinc/87/06/53/598870653.db2.gz AZNSURGMIVRIMY-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265454 598870655 /nfs/dbraw/zinc/87/06/55/598870655.db2.gz AZNSURGMIVRIMY-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2ccccc2-c2nn[nH]n2)C1 ZINC000736265454 598870657 /nfs/dbraw/zinc/87/06/57/598870657.db2.gz AZNSURGMIVRIMY-ROUUACIJSA-N 2 1 384.528 2.832 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3ccccc3-c3nn[nH]n3)c2)C1 ZINC000736858906 598562222 /nfs/dbraw/zinc/56/22/22/598562222.db2.gz VPPLBTBRQNAJJG-SFHVURJKSA-N 2 1 392.507 2.877 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000826182233 607630381 /nfs/dbraw/zinc/63/03/81/607630381.db2.gz FAMREXOIRVPNEB-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000826182233 607630383 /nfs/dbraw/zinc/63/03/83/607630383.db2.gz FAMREXOIRVPNEB-OAHLLOKOSA-N 2 1 379.468 2.513 20 0 GFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)Cc1cccc(-c2nn[nH]n2)c1 ZINC000825966051 608524478 /nfs/dbraw/zinc/52/44/78/608524478.db2.gz LSBVNFDFHZSMJH-UHFFFAOYSA-N 2 1 392.507 2.973 20 0 GFADMP COc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)ccc1S(=O)(=O)C(F)F ZINC000817946590 660212459 /nfs/dbraw/zinc/21/24/59/660212459.db2.gz AEHFENOGIFSADK-OUCADQQQSA-N 2 1 376.469 2.730 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cn2cc(Br)cn2)[C@H](C)C1 ZINC000122285537 654732360 /nfs/dbraw/zinc/73/23/60/654732360.db2.gz RRAOKPACQXSWIC-VYDXJSESSA-N 2 1 387.366 2.761 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc(S(=O)(=O)N3CCCCC3)s2)CC[N@H+]1C ZINC000127071811 654824092 /nfs/dbraw/zinc/82/40/92/654824092.db2.gz JXDNFXDGDNROFQ-CVEARBPZSA-N 2 1 385.599 2.538 20 0 GFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000266911363 654898944 /nfs/dbraw/zinc/89/89/44/654898944.db2.gz JDGUTWGZYBSQOI-UHFFFAOYSA-N 2 1 387.355 2.891 20 0 GFADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000111231210 655166817 /nfs/dbraw/zinc/16/68/17/655166817.db2.gz HJSCKBRBNNNYBI-SFHVURJKSA-N 2 1 396.373 2.930 20 0 GFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000111231210 655166820 /nfs/dbraw/zinc/16/68/20/655166820.db2.gz HJSCKBRBNNNYBI-SFHVURJKSA-N 2 1 396.373 2.930 20 0 GFADMP O[C@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C[NH+]1CCCC1 ZINC000747682223 655781963 /nfs/dbraw/zinc/78/19/63/655781963.db2.gz VMKQHRCGDWVSJK-QGZVFWFLSA-N 2 1 383.330 2.501 20 0 GFADMP COc1ccc(Br)cc1CONC(=[NH2+])[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000779652392 656935627 /nfs/dbraw/zinc/93/56/27/656935627.db2.gz OVXSUSKDTRYCSY-HNNXBMFYSA-N 2 1 386.290 2.565 20 0 GFADMP COc1ccc(Br)cc1CONC(=[NH2+])[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000779652392 656935635 /nfs/dbraw/zinc/93/56/35/656935635.db2.gz OVXSUSKDTRYCSY-HNNXBMFYSA-N 2 1 386.290 2.565 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Cl)c(N)c(Cl)c2)CC1 ZINC000858723864 662120263 /nfs/dbraw/zinc/12/02/63/662120263.db2.gz AAOGZHSPCHDXDL-UHFFFAOYSA-N 2 1 380.279 2.975 20 0 GFADMP C[Si](C)(CC[NH+]1CCO[C@H](CCF)C1)CC[N@H+]1CCO[C@H](CCF)C1 ZINC000859908268 662178609 /nfs/dbraw/zinc/17/86/09/662178609.db2.gz DXDPUAQKSPMAHE-QZTJIDSGSA-N 2 1 378.580 2.816 20 0 GFADMP Cc1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1Br ZINC000863642641 662342018 /nfs/dbraw/zinc/34/20/18/662342018.db2.gz UDQXADWMZWLAET-SJORKVTESA-N 2 1 394.313 2.515 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000872152201 662757020 /nfs/dbraw/zinc/75/70/20/662757020.db2.gz OYYFSJPZKBUTPM-GWCFXTLKSA-N 2 1 394.235 2.847 20 0 GFADMP C[C@H]1C[N@H+](CCc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878323980 662893860 /nfs/dbraw/zinc/89/38/60/662893860.db2.gz FRPSHCDCDGMGKF-QFBILLFUSA-N 2 1 380.374 2.949 20 0 GFADMP C[C@H]1C[N@@H+](CCc2ccccc2Br)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878323980 662893861 /nfs/dbraw/zinc/89/38/61/662893861.db2.gz FRPSHCDCDGMGKF-QFBILLFUSA-N 2 1 380.374 2.949 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229916 663067428 /nfs/dbraw/zinc/06/74/28/663067428.db2.gz DMVVIQXHVPPRDW-WMLDXEAASA-N 2 1 380.330 2.639 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccc(Br)cc1 ZINC000884328501 663069082 /nfs/dbraw/zinc/06/90/82/663069082.db2.gz RHXMCUNAPSMKQE-QGTPRVQTSA-N 2 1 392.341 2.924 20 0 GFADMP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)CC1 ZINC000902466239 663761769 /nfs/dbraw/zinc/76/17/69/663761769.db2.gz KUEYVSAUGUHHSD-BPQIPLTHSA-N 2 1 392.341 2.845 20 0 GFADMP C[C@@H]([NH2+]Cc1cn(C)nc1Br)c1ccc(OCC[NH+](C)C)cc1 ZINC000903188954 663777615 /nfs/dbraw/zinc/77/76/15/663777615.db2.gz KYZAAFGOZQRPPT-CYBMUJFWSA-N 2 1 381.318 2.974 20 0 GFADMP Cc1c(C[C@H](C[NH3+])C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)cnn1C ZINC000903898217 663810570 /nfs/dbraw/zinc/81/05/70/663810570.db2.gz MLWWIGFGPDKKIY-OAHLLOKOSA-N 2 1 385.339 2.647 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1 ZINC000905106210 663853548 /nfs/dbraw/zinc/85/35/48/663853548.db2.gz OGECHJAYQYDWLI-KRWDZBQOSA-N 2 1 388.339 2.559 20 0 GFADMP C[NH+](C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159162 664326843 /nfs/dbraw/zinc/32/68/43/664326843.db2.gz KEQYYYPHLDVYJV-WMZOPIPTSA-N 2 1 388.339 2.559 20 0 GFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000922388429 664598209 /nfs/dbraw/zinc/59/82/09/664598209.db2.gz DWJFCTIHMXREBG-BRSBDYLESA-N 2 1 382.346 2.722 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391377 664598534 /nfs/dbraw/zinc/59/85/34/664598534.db2.gz VRJFIGBMUFPQMI-WCZJQEMASA-N 2 1 382.346 2.722 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391377 664598535 /nfs/dbraw/zinc/59/85/35/664598535.db2.gz VRJFIGBMUFPQMI-WCZJQEMASA-N 2 1 382.346 2.722 20 0 GFADMP CC[N@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cncc(Br)c3)C2)[C@H]1C(C)C ZINC000922395157 664599456 /nfs/dbraw/zinc/59/94/56/664599456.db2.gz UJHGHYZWIVMYOW-TVFCKZIOSA-N 2 1 382.346 2.804 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000923427695 664630209 /nfs/dbraw/zinc/63/02/09/664630209.db2.gz UWZQPJCYYBUZMY-YUSALJHKSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Cl)C[C@H]1C(F)(F)F ZINC000923427695 664630211 /nfs/dbraw/zinc/63/02/11/664630211.db2.gz UWZQPJCYYBUZMY-YUSALJHKSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000923423914 664630213 /nfs/dbraw/zinc/63/02/13/664630213.db2.gz CUHMVZILWBKTDL-ADEWGFFLSA-N 2 1 387.229 2.802 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1C(F)(F)F ZINC000923423914 664630215 /nfs/dbraw/zinc/63/02/15/664630215.db2.gz CUHMVZILWBKTDL-ADEWGFFLSA-N 2 1 387.229 2.802 20 0 GFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1nc(Br)ccc1F ZINC000924958922 664664506 /nfs/dbraw/zinc/66/45/06/664664506.db2.gz NKDLLWNFTQMMOF-CYBMUJFWSA-N 2 1 387.341 2.907 20 0 GFADMP C[NH+](C)CC1(O)CC[NH+](Cc2nnc(-c3ccc(Cl)cc3Cl)o2)CC1 ZINC000931484321 664796191 /nfs/dbraw/zinc/79/61/91/664796191.db2.gz MXDIYBCYWWYGMF-UHFFFAOYSA-N 2 1 385.295 2.932 20 0 GFADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733338 664874831 /nfs/dbraw/zinc/87/48/31/664874831.db2.gz CKTPVVWPAVKOIA-SKDZVZGDSA-N 2 1 378.314 2.586 20 0 GFADMP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733338 664874832 /nfs/dbraw/zinc/87/48/32/664874832.db2.gz CKTPVVWPAVKOIA-SKDZVZGDSA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733338 664874836 /nfs/dbraw/zinc/87/48/36/664874836.db2.gz CKTPVVWPAVKOIA-SKDZVZGDSA-N 2 1 378.314 2.586 20 0 GFADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@]2(C)C1 ZINC000933733338 664874837 /nfs/dbraw/zinc/87/48/37/664874837.db2.gz CKTPVVWPAVKOIA-SKDZVZGDSA-N 2 1 378.314 2.586 20 0 GFADMP COc1ccc(-c2cc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ncn2)cc1 ZINC001164679774 719643375 /nfs/dbraw/zinc/64/33/75/719643375.db2.gz MRKJYUXBGNLIRC-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP COc1ccc(-c2cc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ncn2)cc1 ZINC001164679774 719643376 /nfs/dbraw/zinc/64/33/76/719643376.db2.gz MRKJYUXBGNLIRC-UHFFFAOYSA-N 2 1 392.507 2.824 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834907 720526295 /nfs/dbraw/zinc/52/62/95/720526295.db2.gz IEGFYEOSTJFQIJ-JENIJYKNSA-N 2 1 379.512 2.841 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164834907 720526299 /nfs/dbraw/zinc/52/62/99/720526299.db2.gz IEGFYEOSTJFQIJ-JENIJYKNSA-N 2 1 379.512 2.841 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)c1 ZINC001164739958 720832643 /nfs/dbraw/zinc/83/26/43/720832643.db2.gz BDJBYPGOEBAVOB-IRFCIJBXSA-N 2 1 396.539 2.840 20 0 GFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3cc(N(C)C)cc[nH+]3)C2)C1 ZINC001164779968 721349433 /nfs/dbraw/zinc/34/94/33/721349433.db2.gz XOWPFPLGUNUDEY-JOCHJYFZSA-N 2 1 399.539 2.871 20 0 GFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@H](C)C1 ZINC000190000720 552484793 /nfs/dbraw/zinc/48/47/93/552484793.db2.gz VCNSHXPPZJCDJH-GDBMZVCRSA-N 2 1 387.977 2.744 20 0 GFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(=O)NCc2ccc(Cl)s2)[C@H](C)C1 ZINC000190000720 552484796 /nfs/dbraw/zinc/48/47/96/552484796.db2.gz VCNSHXPPZJCDJH-GDBMZVCRSA-N 2 1 387.977 2.744 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000192820170 552974601 /nfs/dbraw/zinc/97/46/01/552974601.db2.gz HEHCPGDPIYCZBB-MQVJKMGUSA-N 2 1 385.599 2.536 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)c3ccc(Br)o3)CC2)CC1 ZINC000371093023 563265264 /nfs/dbraw/zinc/26/52/64/563265264.db2.gz IENHMCJZJLNYSM-UHFFFAOYSA-N 2 1 398.345 2.968 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372047933 563294325 /nfs/dbraw/zinc/29/43/25/563294325.db2.gz VSDDAZISFBYRGD-TXCZRRACSA-N 2 1 385.350 2.513 20 0 GFADMP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372047933 563294327 /nfs/dbraw/zinc/29/43/27/563294327.db2.gz VSDDAZISFBYRGD-TXCZRRACSA-N 2 1 385.350 2.513 20 0 GFADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423091747 563354629 /nfs/dbraw/zinc/35/46/29/563354629.db2.gz YPRBQYOXIDGXIN-BHYNMZESSA-N 2 1 394.684 2.787 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@@H]3CCC[N@@H+]3CCCO)c2cc1Br ZINC000425266024 563415743 /nfs/dbraw/zinc/41/57/43/563415743.db2.gz GQBFIPVANBBQGE-ZDUSSCGKSA-N 2 1 394.313 2.687 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@@H]3CCC[N@H+]3CCCO)c2cc1Br ZINC000425266024 563415746 /nfs/dbraw/zinc/41/57/46/563415746.db2.gz GQBFIPVANBBQGE-ZDUSSCGKSA-N 2 1 394.313 2.687 20 0 GFADMP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000434881245 563639880 /nfs/dbraw/zinc/63/98/80/563639880.db2.gz TZVSKJSOHRVXPA-ZWKOTPCHSA-N 2 1 381.973 2.906 20 0 GFADMP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)CC1 ZINC000412972315 563677294 /nfs/dbraw/zinc/67/72/94/563677294.db2.gz NUQUKASLEILOJH-UHFFFAOYSA-N 2 1 394.357 2.872 20 0 GFADMP COC(=O)[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@H+](C)C1 ZINC000413495683 563694598 /nfs/dbraw/zinc/69/45/98/563694598.db2.gz JDTIMYLDNRAVTK-GFCCVEGCSA-N 2 1 378.270 2.538 20 0 GFADMP COC(=O)[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[N@@H+](C)C1 ZINC000413495683 563694602 /nfs/dbraw/zinc/69/46/02/563694602.db2.gz JDTIMYLDNRAVTK-GFCCVEGCSA-N 2 1 378.270 2.538 20 0 GFADMP CC[C@@H](C(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C)[NH+](C)C ZINC000413842238 563707423 /nfs/dbraw/zinc/70/74/23/563707423.db2.gz HSQFQDLEKTUDLE-BBRMVZONSA-N 2 1 397.361 2.868 20 0 GFADMP FC(F)(F)[C@@H](C[NH2+]Cc1csc(-c2cccs2)n1)N1CC[NH2+]CC1 ZINC000414965526 563755430 /nfs/dbraw/zinc/75/54/30/563755430.db2.gz DBMRHYXLCUYCJH-CYBMUJFWSA-N 2 1 376.473 2.797 20 0 GFADMP Brc1cc2c(c(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c1)OCC2 ZINC000415058509 563758111 /nfs/dbraw/zinc/75/81/11/563758111.db2.gz TVFKIUOLEBZBKU-UHFFFAOYSA-N 2 1 394.357 2.690 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1(C)C ZINC000442874499 563781907 /nfs/dbraw/zinc/78/19/07/563781907.db2.gz MHOQGPFGGOXROP-SFHVURJKSA-N 2 1 380.374 2.922 20 0 GFADMP CSCc1cnc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000293715583 563822315 /nfs/dbraw/zinc/82/23/15/563822315.db2.gz YCZWVLGKLOLFOL-UHFFFAOYSA-N 2 1 377.583 2.703 20 0 GFADMP CC(=O)N1CCC[N@H+](C[C@H]2CCCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000450780656 564247514 /nfs/dbraw/zinc/24/75/14/564247514.db2.gz YMGHBRXYRONXPM-MRXNPFEDSA-N 2 1 395.345 2.615 20 0 GFADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCCN(c3cc[nH+]cc3Br)C2)CC1 ZINC000450780656 564247517 /nfs/dbraw/zinc/24/75/17/564247517.db2.gz YMGHBRXYRONXPM-MRXNPFEDSA-N 2 1 395.345 2.615 20 0 GFADMP CN1CCc2nc(NC(=O)[C@@](C)(N)c3ccc(Br)cc3)sc2C1 ZINC000564889615 564254568 /nfs/dbraw/zinc/25/45/68/564254568.db2.gz CUTHLGNVPGNIHZ-INIZCTEOSA-N 2 1 395.326 2.706 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(C)c(Cl)s1 ZINC000473917418 564256325 /nfs/dbraw/zinc/25/63/25/564256325.db2.gz XODYOHMDPIBXNJ-AWEZNQCLSA-N 2 1 394.006 2.747 20 0 GFADMP C[NH+](C)Cc1cnc(C[NH2+]C2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)s1 ZINC000513032813 564419125 /nfs/dbraw/zinc/41/91/25/564419125.db2.gz PIBUBCKKWYCAOU-UHFFFAOYSA-N 2 1 381.933 2.581 20 0 GFADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000550787624 564630785 /nfs/dbraw/zinc/63/07/85/564630785.db2.gz LAMRCAUJWXIVPY-INIZCTEOSA-N 2 1 376.298 2.835 20 0 GFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1CNc1cc[nH+]cc1Br ZINC000550787624 564630787 /nfs/dbraw/zinc/63/07/87/564630787.db2.gz LAMRCAUJWXIVPY-INIZCTEOSA-N 2 1 376.298 2.835 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573920304 564659774 /nfs/dbraw/zinc/65/97/74/564659774.db2.gz KRLVUFNYGVXXAE-KGLIPLIRSA-N 2 1 386.277 2.601 20 0 GFADMP Cc1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)ccc1Br ZINC000459674424 564756498 /nfs/dbraw/zinc/75/64/98/564756498.db2.gz ZBDMQMUCZKOYHN-UHFFFAOYSA-N 2 1 390.329 2.589 20 0 GFADMP CN(CCC[N@@H+](C)Cc1nc2ccc(Br)cc2o1)CC[NH+](C)C ZINC000463216815 564872718 /nfs/dbraw/zinc/87/27/18/564872718.db2.gz YFXDOVBIFHBXRS-UHFFFAOYSA-N 2 1 383.334 2.906 20 0 GFADMP O=C(CC[N@@H+]1CCC[C@H]1c1ccc(Br)c(F)c1)N1CC[NH2+]CC1 ZINC000563154066 565057547 /nfs/dbraw/zinc/05/75/47/565057547.db2.gz NSAOETRMXXHOMW-INIZCTEOSA-N 2 1 384.293 2.547 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3cc(Cl)ccc3Cl)nn2)CC1 ZINC000640859420 565332463 /nfs/dbraw/zinc/33/24/63/565332463.db2.gz HSYDAWYSUCLLJN-UHFFFAOYSA-N 2 1 384.311 2.630 20 0 GFADMP C[NH+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662354392 565361539 /nfs/dbraw/zinc/36/15/39/565361539.db2.gz FKYIWJNQXJVZNE-KRWDZBQOSA-N 2 1 376.298 2.827 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505969 565372989 /nfs/dbraw/zinc/37/29/89/565372989.db2.gz WRHNBMVODLPKSI-XWIAVFTESA-N 2 1 392.341 2.924 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1Br ZINC000662505969 565372993 /nfs/dbraw/zinc/37/29/93/565372993.db2.gz WRHNBMVODLPKSI-XWIAVFTESA-N 2 1 392.341 2.924 20 0 GFADMP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662536389 565376324 /nfs/dbraw/zinc/37/63/24/565376324.db2.gz LIJCGZJMRNZJQU-BLLLJJGKSA-N 2 1 376.328 2.727 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364499 565415287 /nfs/dbraw/zinc/41/52/87/565415287.db2.gz ROVBIJDRVPYSBG-CABCVRRESA-N 2 1 389.323 2.576 20 0 GFADMP Brc1ccc(-c2n[nH]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000647791448 565676994 /nfs/dbraw/zinc/67/69/94/565676994.db2.gz DGSUKXZNMSSYFB-GZBFAFLISA-N 2 1 376.302 2.712 20 0 GFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(F)c(I)c1 ZINC000600710263 565745550 /nfs/dbraw/zinc/74/55/50/565745550.db2.gz QYXZHRJKXFCHRS-JTQLQIEISA-N 2 1 378.229 2.589 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706356 565833000 /nfs/dbraw/zinc/83/30/00/565833000.db2.gz JCFWHUYTAUWTAI-FRFSOERESA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)C1 ZINC000650706356 565833004 /nfs/dbraw/zinc/83/30/04/565833004.db2.gz JCFWHUYTAUWTAI-FRFSOERESA-N 2 1 393.329 2.815 20 0 GFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000604388829 565928504 /nfs/dbraw/zinc/92/85/04/565928504.db2.gz FGCSSKYIZOGBNI-QGZVFWFLSA-N 2 1 382.346 2.540 20 0 GFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000604388829 565928508 /nfs/dbraw/zinc/92/85/08/565928508.db2.gz FGCSSKYIZOGBNI-QGZVFWFLSA-N 2 1 382.346 2.540 20 0 GFADMP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631091755 565939765 /nfs/dbraw/zinc/93/97/65/565939765.db2.gz SBZWAIIGBLUCDL-UHFFFAOYSA-N 2 1 376.726 2.822 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCN(c4cc[nH+]cc4)CC3)c2c1 ZINC000737248531 599259664 /nfs/dbraw/zinc/25/96/64/599259664.db2.gz ICEACCUNCZUOPT-UHFFFAOYSA-N 2 1 386.463 2.753 20 0 GFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000822323242 606901182 /nfs/dbraw/zinc/90/11/82/606901182.db2.gz AWVDHOIOTOVQHP-KRWDZBQOSA-N 2 1 393.495 2.773 20 0 GFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)[nH+]1 ZINC000822323242 606901184 /nfs/dbraw/zinc/90/11/84/606901184.db2.gz AWVDHOIOTOVQHP-KRWDZBQOSA-N 2 1 393.495 2.773 20 0 GFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824625073 609407815 /nfs/dbraw/zinc/40/78/15/609407815.db2.gz FGFAEZPEAYJFRA-KKSFZXQISA-N 2 1 392.507 2.674 20 0 GFADMP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000817285447 660188944 /nfs/dbraw/zinc/18/89/44/660188944.db2.gz KQYYNESQCMMANF-UHFFFAOYSA-N 2 1 381.362 2.836 20 0 GFADMP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccnc(Br)c3)CC2)CC1 ZINC000817285447 660188946 /nfs/dbraw/zinc/18/89/46/660188946.db2.gz KQYYNESQCMMANF-UHFFFAOYSA-N 2 1 381.362 2.836 20 0 GFADMP CCOc1nn(CN2CCC[N@@H+](C3CC[NH+](CC)CC3)CC2)c(=S)s1 ZINC000817372618 660192283 /nfs/dbraw/zinc/19/22/83/660192283.db2.gz KWKKVBWHEIYCSI-UHFFFAOYSA-N 2 1 385.603 2.522 20 0 GFADMP CCOc1nn(CN2CCC[N@H+](C3CC[NH+](CC)CC3)CC2)c(=S)s1 ZINC000817372618 660192285 /nfs/dbraw/zinc/19/22/85/660192285.db2.gz KWKKVBWHEIYCSI-UHFFFAOYSA-N 2 1 385.603 2.522 20 0 GFADMP COc1ccc(Br)c(CONC(=[NH2+])[C@@H]2C[N@@H+](C(C)C)CCO2)c1 ZINC000818083373 660215820 /nfs/dbraw/zinc/21/58/20/660215820.db2.gz YALZHHPIAGBSON-HNNXBMFYSA-N 2 1 386.290 2.565 20 0 GFADMP COc1ccc(Br)c(CONC(=[NH2+])[C@@H]2C[N@H+](C(C)C)CCO2)c1 ZINC000818083373 660215821 /nfs/dbraw/zinc/21/58/21/660215821.db2.gz YALZHHPIAGBSON-HNNXBMFYSA-N 2 1 386.290 2.565 20 0 GFADMP C(CC[NH+]1CCS[C@H]2COCC[C@@H]21)CC[N@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000135528829 655019230 /nfs/dbraw/zinc/01/92/30/655019230.db2.gz IIFJSZLWZLEWHD-CADBVGFASA-N 2 1 386.627 2.569 20 0 GFADMP C(CC[NH+]1CCS[C@@H]2COCC[C@@H]21)CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135528829 655019232 /nfs/dbraw/zinc/01/92/32/655019232.db2.gz IIFJSZLWZLEWHD-CADBVGFASA-N 2 1 386.627 2.569 20 0 GFADMP C(CC[NH+]1CCS[C@@H]2COCC[C@@H]21)CC[N@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000135528829 655019237 /nfs/dbraw/zinc/01/92/37/655019237.db2.gz IIFJSZLWZLEWHD-CADBVGFASA-N 2 1 386.627 2.569 20 0 GFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000109754906 655151340 /nfs/dbraw/zinc/15/13/40/655151340.db2.gz KLXWNKLILVOMEE-MOPGFXCFSA-N 2 1 396.373 2.584 20 0 GFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000109754906 655151341 /nfs/dbraw/zinc/15/13/41/655151341.db2.gz KLXWNKLILVOMEE-MOPGFXCFSA-N 2 1 396.373 2.584 20 0 GFADMP C[N@H+](CC1CC[NH+](C)CC1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773301116 656408833 /nfs/dbraw/zinc/40/88/33/656408833.db2.gz FSQDFDWTQZJFMC-UHFFFAOYSA-N 2 1 386.265 2.727 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1c(=O)oc2cc(Br)c(F)cc21 ZINC000773301116 656408841 /nfs/dbraw/zinc/40/88/41/656408841.db2.gz FSQDFDWTQZJFMC-UHFFFAOYSA-N 2 1 386.265 2.727 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F)cc1 ZINC000850518041 661780147 /nfs/dbraw/zinc/78/01/47/661780147.db2.gz BKGMPVURAZSMFH-GFCCVEGCSA-N 2 1 375.416 2.808 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@H]3CC3(Cl)Cl)CC2)CC1 ZINC000857384698 662078502 /nfs/dbraw/zinc/07/85/02/662078502.db2.gz WRDNMAUCBCFFBB-HNNXBMFYSA-N 2 1 376.372 2.883 20 0 GFADMP Cc1c[nH+]cn1CC(=O)N1C[C@H]([NH+](C)C)CCc2cc(Br)ccc21 ZINC000857880282 662093196 /nfs/dbraw/zinc/09/31/96/662093196.db2.gz FNWNQAGTUPWLBK-MRXNPFEDSA-N 2 1 391.313 2.864 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896614 662707262 /nfs/dbraw/zinc/70/72/62/662707262.db2.gz WWBKCWXIWWTUOZ-RHSMWYFYSA-N 2 1 380.330 2.639 20 0 GFADMP [NH3+]C[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Br)cc2)C[C@@H]1C(F)(F)F ZINC000872148954 662756686 /nfs/dbraw/zinc/75/66/86/662756686.db2.gz LTYMRYAIBGNWLF-GWCFXTLKSA-N 2 1 394.235 2.847 20 0 GFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1c(Br)c2ccccc2n1C ZINC000873047441 662797551 /nfs/dbraw/zinc/79/75/51/662797551.db2.gz ULVKSBCGHVDSJJ-CQSZACIVSA-N 2 1 379.346 2.666 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000878445422 662896689 /nfs/dbraw/zinc/89/66/89/662896689.db2.gz GPOOBPROSLOOSE-KBMXLJTQSA-N 2 1 394.313 2.971 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000878445422 662896690 /nfs/dbraw/zinc/89/66/90/662896690.db2.gz GPOOBPROSLOOSE-KBMXLJTQSA-N 2 1 394.313 2.971 20 0 GFADMP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000893317409 663406876 /nfs/dbraw/zinc/40/68/76/663406876.db2.gz GIEQJGQTWCWFBN-UHFFFAOYSA-N 2 1 397.361 2.525 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c(I)cnn1C ZINC000894181075 663447036 /nfs/dbraw/zinc/44/70/36/663447036.db2.gz UKHMWQSCHRBQTH-CYBMUJFWSA-N 2 1 390.313 2.769 20 0 GFADMP FC(F)(F)c1nc(Br)c2n1CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000903831591 663807905 /nfs/dbraw/zinc/80/79/05/663807905.db2.gz KHOBDYVDOMQTAL-UHFFFAOYSA-N 2 1 381.240 2.870 20 0 GFADMP FC(F)(F)c1nc(Br)c2n1CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000903831591 663807906 /nfs/dbraw/zinc/80/79/06/663807906.db2.gz KHOBDYVDOMQTAL-UHFFFAOYSA-N 2 1 381.240 2.870 20 0 GFADMP [NH3+]C[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923280878 664627358 /nfs/dbraw/zinc/62/73/58/664627358.db2.gz LEXRXBWSJPQGOP-WCQYABFASA-N 2 1 377.710 2.513 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H](O)c3cccc(Br)c3)C2)C1 ZINC000923390266 664629408 /nfs/dbraw/zinc/62/94/08/664629408.db2.gz WEPKYGMBWTXNPI-HPBDAGMYSA-N 2 1 383.330 2.701 20 0 GFADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1)C1(Br)CC1 ZINC000924999494 664664935 /nfs/dbraw/zinc/66/49/35/664664935.db2.gz JDFLXSADWZPBQP-PBHICJAKSA-N 2 1 394.357 2.790 20 0 GFADMP CC[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000925841820 664675752 /nfs/dbraw/zinc/67/57/52/664675752.db2.gz UBRAIBUQWILZRN-KBAYOESNSA-N 2 1 385.961 2.821 20 0 GFADMP C[NH+](C)CC1(O)CC[NH+](Cc2coc(-c3ccc(Br)cc3)n2)CC1 ZINC000931483514 664796134 /nfs/dbraw/zinc/79/61/34/664796134.db2.gz CZRNRAKRNUIIAE-UHFFFAOYSA-N 2 1 394.313 2.993 20 0 GFADMP CCC[N@H+]1CCCC[C@@H]1c1ccc(N2[C@H](C(=O)OCC)C[C@H]3C[NH2+]C[C@H]32)nc1 ZINC001164618176 719018901 /nfs/dbraw/zinc/01/89/01/719018901.db2.gz QLWRDAHHKRTVEH-ZGXWSNOMSA-N 2 1 386.540 2.748 20 0 GFADMP [NH3+]C1([C@@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164628782 719117726 /nfs/dbraw/zinc/11/77/26/719117726.db2.gz OCDDALBOTKZSQN-IEBWSBKVSA-N 2 1 381.499 2.548 20 0 GFADMP [NH3+]C1([C@@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164628782 719117730 /nfs/dbraw/zinc/11/77/30/719117730.db2.gz OCDDALBOTKZSQN-IEBWSBKVSA-N 2 1 381.499 2.548 20 0 GFADMP Cc1cc(Cl)nc(C(F)(F)n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164685214 719605790 /nfs/dbraw/zinc/60/57/90/719605790.db2.gz SSNZJWGVZFSDOV-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP Cc1cc(Cl)nc(C(F)(F)n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)n1 ZINC001164685214 719605801 /nfs/dbraw/zinc/60/58/01/719605801.db2.gz SSNZJWGVZFSDOV-UHFFFAOYSA-N 2 1 384.862 2.718 20 0 GFADMP COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(c1[nH+]cc(C)cc1N)CC2 ZINC001164713032 720132812 /nfs/dbraw/zinc/13/28/12/720132812.db2.gz PDXDLWLSBTWGCH-LJQANCHMSA-N 2 1 381.524 2.875 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@H+]3C(C)C)C2)[nH]1 ZINC001164834908 720525851 /nfs/dbraw/zinc/52/58/51/720525851.db2.gz IEGFYEOSTJFQIJ-YQVWRLOYSA-N 2 1 379.512 2.841 20 0 GFADMP Cc1cc2c(nc[nH+]c2N2CC[C@@H]3[C@@H](C[C@H](Cn4cccn4)[N@@H+]3C(C)C)C2)[nH]1 ZINC001164834908 720525856 /nfs/dbraw/zinc/52/58/56/720525856.db2.gz IEGFYEOSTJFQIJ-YQVWRLOYSA-N 2 1 379.512 2.841 20 0 GFADMP CC(C)[N@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3cc(-n4ccnc4)cc[nH+]3)CC[C@@H]21 ZINC001164841476 720628105 /nfs/dbraw/zinc/62/81/05/720628105.db2.gz SFSBNPDVJMDCJX-JBACZVJFSA-N 2 1 391.523 2.842 20 0 GFADMP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740515 720842837 /nfs/dbraw/zinc/84/28/37/720842837.db2.gz CFIGPSDSGOCRPY-DBXWQHBBSA-N 2 1 391.523 2.842 20 0 GFADMP Nc1cc[nH+]c(N2CC[C@]3(C2)C[N@@H+](CC2CC2)C[C@@H]3COCc2cccnc2)c1 ZINC001164754866 720869029 /nfs/dbraw/zinc/86/90/29/720869029.db2.gz UFFUGCXGFFAYMY-NFBKMPQASA-N 2 1 393.535 2.814 20 0 GFADMP c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(C[NH+]5CCCC5)cn4)CC[N@H+]3C2)c1 ZINC001164871000 721138606 /nfs/dbraw/zinc/13/86/06/721138606.db2.gz CVYPUTMJCOAHRT-FGZHOGPDSA-N 2 1 393.535 2.552 20 0 GFADMP COc1cc(N2C[C@@H]3C[N@@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]c2ccccc21 ZINC001164764211 721171887 /nfs/dbraw/zinc/17/18/87/721171887.db2.gz GOURVROWXGVCNF-MSOLQXFVSA-N 2 1 377.492 2.935 20 0 GFADMP COc1cc(N2C[C@@H]3C[N@H+](Cc4cnn(C)c4)CC[C@@H]3C2)[nH+]c2ccccc21 ZINC001164764211 721171892 /nfs/dbraw/zinc/17/18/92/721171892.db2.gz GOURVROWXGVCNF-MSOLQXFVSA-N 2 1 377.492 2.935 20 0 GFADMP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164943696 721969551 /nfs/dbraw/zinc/96/95/51/721969551.db2.gz BWVKGOVYOXSOFS-UHFFFAOYSA-N 2 1 375.476 2.534 20 0 GFADMP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164943696 721969556 /nfs/dbraw/zinc/96/95/56/721969556.db2.gz BWVKGOVYOXSOFS-UHFFFAOYSA-N 2 1 375.476 2.534 20 0 GFADMP COc1cc(N2CCCn3cnc(COCC[NH+](C)C)c3C2)[nH+]c2ccccc21 ZINC001165002174 722255169 /nfs/dbraw/zinc/25/51/69/722255169.db2.gz KVJAUCVESVCKBU-UHFFFAOYSA-N 2 1 395.507 2.928 20 0 GFADMP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000178856277 552177253 /nfs/dbraw/zinc/17/72/53/552177253.db2.gz SWOUVSKGUTYGIO-HNNXBMFYSA-N 2 1 380.330 2.529 20 0 GFADMP CN(CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)S(=O)(=O)c1cccs1 ZINC000181503305 552259050 /nfs/dbraw/zinc/25/90/50/552259050.db2.gz JESACZJHFPVPEF-UHFFFAOYSA-N 2 1 385.599 2.755 20 0 GFADMP C[C@@H](O)CC[NH+](C)Cc1cc(Br)ccc1C[N@H+](C)CC[C@@H](C)O ZINC000192073678 552549010 /nfs/dbraw/zinc/54/90/10/552549010.db2.gz AUJKOYUYRVSDBO-HUUCEWRRSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@@H](O)CC[NH+](C)Cc1ccc(Br)cc1C[N@H+](C)CC[C@@H](C)O ZINC000192073678 552549013 /nfs/dbraw/zinc/54/90/13/552549013.db2.gz AUJKOYUYRVSDBO-HUUCEWRRSA-N 2 1 387.362 2.855 20 0 GFADMP C[C@@H](O)CC[NH+](C)Cc1ccc(Br)cc1C[N@@H+](C)CC[C@@H](C)O ZINC000192073678 552549016 /nfs/dbraw/zinc/54/90/16/552549016.db2.gz AUJKOYUYRVSDBO-HUUCEWRRSA-N 2 1 387.362 2.855 20 0 GFADMP Brc1ccc(-c2nnc(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)[nH]2)cc1 ZINC000246491329 553108374 /nfs/dbraw/zinc/10/83/74/553108374.db2.gz RYAZPIJVOGQNLM-CABCVRRESA-N 2 1 376.302 2.951 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2csc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262085617 553166029 /nfs/dbraw/zinc/16/60/29/553166029.db2.gz HNXCSYZXVZLEIG-GXTWGEPZSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2csc(Br)c2)C1)[C@H]1CCC[NH2+]1 ZINC000262085617 553166030 /nfs/dbraw/zinc/16/60/30/553166030.db2.gz HNXCSYZXVZLEIG-GXTWGEPZSA-N 2 1 386.359 2.591 20 0 GFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cnc3ccc(Br)cn23)CCCO1 ZINC000277669036 563220150 /nfs/dbraw/zinc/22/01/50/563220150.db2.gz GAJGRIXXJQHGQI-AWEZNQCLSA-N 2 1 381.318 2.687 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cnc3ccc(Br)cn23)CCCO1 ZINC000277669036 563220153 /nfs/dbraw/zinc/22/01/53/563220153.db2.gz GAJGRIXXJQHGQI-AWEZNQCLSA-N 2 1 381.318 2.687 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)s1 ZINC000422943261 563351775 /nfs/dbraw/zinc/35/17/75/563351775.db2.gz XTOSYHJCYVQJIP-YESZJQIVSA-N 2 1 385.599 2.789 20 0 GFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1cc(Br)ccc1N(C)CC[NH+](C)C ZINC000425101293 563405550 /nfs/dbraw/zinc/40/55/50/563405550.db2.gz ZLLCGDOKYBAPFP-ZFWWWQNUSA-N 2 1 397.361 2.583 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000397308391 563531956 /nfs/dbraw/zinc/53/19/56/563531956.db2.gz HVBVPXFEHCIHPD-NYTXWWLZSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccc(Br)cc1 ZINC000397308391 563531958 /nfs/dbraw/zinc/53/19/58/563531958.db2.gz HVBVPXFEHCIHPD-NYTXWWLZSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@@H]1CCC[N@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1CC[NH3+] ZINC000404268355 563537307 /nfs/dbraw/zinc/53/73/07/563537307.db2.gz IXSHPPKECIQOEL-PBHICJAKSA-N 2 1 382.346 2.857 20 0 GFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2ccccc2Br)[C@H]1CC[NH3+] ZINC000404268355 563537312 /nfs/dbraw/zinc/53/73/12/563537312.db2.gz IXSHPPKECIQOEL-PBHICJAKSA-N 2 1 382.346 2.857 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC(c3cccc(Br)c3)C2)C1 ZINC000432410010 563583598 /nfs/dbraw/zinc/58/35/98/563583598.db2.gz LAOSIQHPVDGRNZ-HJOIGYKYSA-N 2 1 394.357 2.872 20 0 GFADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@@H]1[NH3+] ZINC000332266988 563588710 /nfs/dbraw/zinc/58/87/10/563588710.db2.gz HYYXKKRFCZTCRL-PXAZEXFGSA-N 2 1 385.339 2.946 20 0 GFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)C[C@H]3CSCCS3)CC2)CC1 ZINC000361901873 563701953 /nfs/dbraw/zinc/70/19/53/563701953.db2.gz WPBZDLUMHJZSRL-SFHVURJKSA-N 2 1 385.643 2.538 20 0 GFADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670643 563749194 /nfs/dbraw/zinc/74/91/94/563749194.db2.gz DKWDPTSVONVENP-INIZCTEOSA-N 2 1 382.346 2.857 20 0 GFADMP COC[C@]1(C[NH2+][C@@H](C)CC(=O)Nc2cccc(Br)c2)CCC[NH2+]1 ZINC000414939014 563754385 /nfs/dbraw/zinc/75/43/85/563754385.db2.gz FXOOJTILWLMGOU-SUMWQHHRSA-N 2 1 384.318 2.524 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444695774 563836002 /nfs/dbraw/zinc/83/60/02/563836002.db2.gz FYKFUHSHFBJMFW-UHFFFAOYSA-N 2 1 382.346 2.790 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2C)CC1 ZINC000444695774 563836007 /nfs/dbraw/zinc/83/60/07/563836007.db2.gz FYKFUHSHFBJMFW-UHFFFAOYSA-N 2 1 382.346 2.790 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000367244960 563837943 /nfs/dbraw/zinc/83/79/43/563837943.db2.gz URGDHXJIPHCFJR-OAOYMFHYSA-N 2 1 397.357 2.962 20 0 GFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000542842721 564328668 /nfs/dbraw/zinc/32/86/68/564328668.db2.gz XITGXUGLXUSIHM-RDJZCZTQSA-N 2 1 385.599 2.659 20 0 GFADMP C[C@@H]1CSC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000512151439 564393613 /nfs/dbraw/zinc/39/36/13/564393613.db2.gz YLZUNDGBAUEXTB-JLSDUUJJSA-N 2 1 381.973 2.934 20 0 GFADMP C[N@H+]1CC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000569095244 564448783 /nfs/dbraw/zinc/44/87/83/564448783.db2.gz OLODMGVCWKHSEO-GLJUWKHASA-N 2 1 385.936 2.683 20 0 GFADMP C(CC[NH+]1CCO[C@@]2(CCSC2)C1)CC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000573560748 564643579 /nfs/dbraw/zinc/64/35/79/564643579.db2.gz BONNNDCZJPETDV-OALUTQOASA-N 2 1 386.627 2.573 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1O ZINC000573576738 564644120 /nfs/dbraw/zinc/64/41/20/564644120.db2.gz WIYVARLHYYPAJJ-MAUKXSAKSA-N 2 1 399.329 2.882 20 0 GFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000523857864 564673909 /nfs/dbraw/zinc/67/39/09/564673909.db2.gz CMESKHXNIPQMEU-GOSISDBHSA-N 2 1 396.373 2.930 20 0 GFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000523857864 564673912 /nfs/dbraw/zinc/67/39/12/564673912.db2.gz CMESKHXNIPQMEU-GOSISDBHSA-N 2 1 396.373 2.930 20 0 GFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(Br)cn2)CC1 ZINC000488320672 564708895 /nfs/dbraw/zinc/70/88/95/564708895.db2.gz FSJNQAZMKTWYDA-UHFFFAOYSA-N 2 1 383.334 2.836 20 0 GFADMP C[C@H]1C[N@@H+](CCOc2ccc(Br)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000490699963 564780158 /nfs/dbraw/zinc/78/01/58/564780158.db2.gz OMWHIOVQYYGIMW-QFBILLFUSA-N 2 1 396.373 2.786 20 0 GFADMP O=C(C[NH2+]Cc1ccc(Br)cc1F)NCC[NH+]1CCCCCC1 ZINC000556890174 564844493 /nfs/dbraw/zinc/84/44/93/564844493.db2.gz WHLIWBDBLOZFIS-UHFFFAOYSA-N 2 1 386.309 2.670 20 0 GFADMP COCC[N@@H+](C)C[C@H](O)CN1CCC(c2ccccc2Br)CC1 ZINC000583270976 564883237 /nfs/dbraw/zinc/88/32/37/564883237.db2.gz ISPDXLUIFKMRGQ-INIZCTEOSA-N 2 1 385.346 2.568 20 0 GFADMP C[NH+](C)CCOC1CC[NH+](Cc2cn3ccc(Br)cc3n2)CC1 ZINC000583353649 564887173 /nfs/dbraw/zinc/88/71/73/564887173.db2.gz ASWUWXZJFDSTLD-UHFFFAOYSA-N 2 1 381.318 2.639 20 0 GFADMP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1sccc1Br ZINC000531967888 564926093 /nfs/dbraw/zinc/92/60/93/564926093.db2.gz GSQTUMDDTCKKCH-CQSZACIVSA-N 2 1 390.391 2.551 20 0 GFADMP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)s1 ZINC000638312429 565191619 /nfs/dbraw/zinc/19/16/19/565191619.db2.gz GBOMFFRRKAKZOS-UHFFFAOYSA-N 2 1 379.551 2.671 20 0 GFADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H](C)C1 ZINC000659260835 565209125 /nfs/dbraw/zinc/20/91/25/565209125.db2.gz QSEGRGBDNJEVLF-CMPLNLGQSA-N 2 1 386.359 2.916 20 0 GFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2sc3c(c2Br)C[NH2+]C3)[C@@H](C)C1 ZINC000659260835 565209129 /nfs/dbraw/zinc/20/91/29/565209129.db2.gz QSEGRGBDNJEVLF-CMPLNLGQSA-N 2 1 386.359 2.916 20 0 GFADMP [NH3+][C@H](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)Cc1ccccc1 ZINC000638878254 565215732 /nfs/dbraw/zinc/21/57/32/565215732.db2.gz ALVPLORGXNQOOG-PBHICJAKSA-N 2 1 376.298 2.525 20 0 GFADMP CC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000638860860 565215882 /nfs/dbraw/zinc/21/58/82/565215882.db2.gz IOHJSYIAPXQSBN-INIZCTEOSA-N 2 1 380.330 2.926 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)c(F)cc1F ZINC000617506931 565244223 /nfs/dbraw/zinc/24/42/23/565244223.db2.gz COTVFJKAJOQNOI-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)c(F)cc1F ZINC000617506931 565244227 /nfs/dbraw/zinc/24/42/27/565244227.db2.gz COTVFJKAJOQNOI-NSHDSACASA-N 2 1 392.288 2.729 20 0 GFADMP [NH3+][C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1Br ZINC000662344465 565361496 /nfs/dbraw/zinc/36/14/96/565361496.db2.gz YYCRURYIJNISMQ-SFHVURJKSA-N 2 1 388.309 2.793 20 0 GFADMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@@H+]1CCC[C@H](C)C1 ZINC000662387176 565364846 /nfs/dbraw/zinc/36/48/46/565364846.db2.gz IUNPPTHYADURHP-WDEREUQCSA-N 2 1 386.359 2.964 20 0 GFADMP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)[N@H+]1CCC[C@H](C)C1 ZINC000662387176 565364847 /nfs/dbraw/zinc/36/48/47/565364847.db2.gz IUNPPTHYADURHP-WDEREUQCSA-N 2 1 386.359 2.964 20 0 GFADMP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477971 565371595 /nfs/dbraw/zinc/37/15/95/565371595.db2.gz KOHCBDPKHVJSRJ-WMLDXEAASA-N 2 1 380.330 2.783 20 0 GFADMP O=C(NC1CC([NH+]2CCCCC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662533726 565375222 /nfs/dbraw/zinc/37/52/22/565375222.db2.gz UPPDAPRGNUSQMS-UHFFFAOYSA-N 2 1 384.343 2.861 20 0 GFADMP C[NH+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)c1 ZINC000662524900 565375249 /nfs/dbraw/zinc/37/52/49/565375249.db2.gz CEEHRXXZVHCYBF-KRWDZBQOSA-N 2 1 376.298 2.827 20 0 GFADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)c1ccccc1 ZINC000662522586 565375270 /nfs/dbraw/zinc/37/52/70/565375270.db2.gz AUQDMSZQRLKQKO-IRXDYDNUSA-N 2 1 376.298 2.868 20 0 GFADMP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]([NH2+]C)c1cccc(Cl)c1Cl ZINC000662536394 565376207 /nfs/dbraw/zinc/37/62/07/565376207.db2.gz LIJCGZJMRNZJQU-MLGOLLRUSA-N 2 1 376.328 2.727 20 0 GFADMP CC1(C)C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2cc(Br)ccc21 ZINC000665292689 565495744 /nfs/dbraw/zinc/49/57/44/565495744.db2.gz HLRPYCPVCCGICK-CQSZACIVSA-N 2 1 377.286 2.916 20 0 GFADMP C[C@H]1CSc2ccc(Br)cc2[C@@H]1[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292221 565496536 /nfs/dbraw/zinc/49/65/36/565496536.db2.gz WEKBIIWUJCGTQX-XXFAHNHDSA-N 2 1 395.326 2.976 20 0 GFADMP C[N@H+]1CCCC[C@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656971 565523496 /nfs/dbraw/zinc/52/34/96/565523496.db2.gz GZQVPAUJDHJPME-CQSZACIVSA-N 2 1 378.318 2.851 20 0 GFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(I)s2)CC1 ZINC000602531671 565853780 /nfs/dbraw/zinc/85/37/80/565853780.db2.gz WKNHOPHYZMDXHJ-UHFFFAOYSA-N 2 1 394.322 2.943 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCc4cc(Br)ccc4NC3=O)C[C@H]21 ZINC000629519376 565857496 /nfs/dbraw/zinc/85/74/96/565857496.db2.gz PWSPYQSLGHODSO-MMTVNHQJSA-N 2 1 378.314 2.762 20 0 GFADMP COc1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(F)cc1Br ZINC000631067668 565938811 /nfs/dbraw/zinc/93/88/11/565938811.db2.gz DVZLPOFHTAGYPD-CQSZACIVSA-N 2 1 389.309 2.923 20 0 GFADMP CC[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000736536123 598509783 /nfs/dbraw/zinc/50/97/83/598509783.db2.gz DHFPPORRDXEHHT-UHFFFAOYSA-N 2 1 380.496 2.829 20 0 GFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000822374174 606895971 /nfs/dbraw/zinc/89/59/71/606895971.db2.gz KEZOCRKJZJTECS-QGZVFWFLSA-N 2 1 393.495 2.773 20 0 GFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000822374174 606895972 /nfs/dbraw/zinc/89/59/72/606895972.db2.gz KEZOCRKJZJTECS-QGZVFWFLSA-N 2 1 393.495 2.773 20 0 GFADMP Cc1[nH+]ccc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1Cl ZINC000822471446 607018794 /nfs/dbraw/zinc/01/87/94/607018794.db2.gz CALBJJOFTKQMIL-UHFFFAOYSA-N 2 1 383.887 2.936 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)[C@H](C)C1 ZINC000825593765 608512187 /nfs/dbraw/zinc/51/21/87/608512187.db2.gz DBOTUYDMMXFZRL-TYCQWZJGSA-N 2 1 398.555 2.971 20 0 GFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cn2nc(Br)c(=O)c3ccccc32)C1 ZINC000124235647 654772368 /nfs/dbraw/zinc/77/23/68/654772368.db2.gz WZZQTDKHXKSTGZ-AWEZNQCLSA-N 2 1 393.329 2.780 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cc(F)ccc1Cl ZINC000097549687 655035850 /nfs/dbraw/zinc/03/58/50/655035850.db2.gz RLSSVYRSSVBEDM-HNNXBMFYSA-N 2 1 391.940 2.516 20 0 GFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCOc2cccc(I)c2)C1 ZINC000113516155 655211616 /nfs/dbraw/zinc/21/16/16/655211616.db2.gz YMEUVBWKKBCBRG-CQSZACIVSA-N 2 1 388.293 2.944 20 0 GFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000114453808 655224346 /nfs/dbraw/zinc/22/43/46/655224346.db2.gz NMVGBCACZLETGM-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2ccc(Br)cc2)CC1 ZINC000114453808 655224348 /nfs/dbraw/zinc/22/43/48/655224348.db2.gz NMVGBCACZLETGM-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000760500090 655982756 /nfs/dbraw/zinc/98/27/56/655982756.db2.gz QGBGZULXFZFGRG-ZWKOTPCHSA-N 2 1 380.989 2.891 20 0 GFADMP C[N@H+]1CC[C@H](NC(=S)NCC2CC[NH+](C)CC2)[C@H]1c1ccc(Cl)cc1 ZINC000760500090 655982761 /nfs/dbraw/zinc/98/27/61/655982761.db2.gz QGBGZULXFZFGRG-ZWKOTPCHSA-N 2 1 380.989 2.891 20 0 GFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CCO1 ZINC000785432809 657364028 /nfs/dbraw/zinc/36/40/28/657364028.db2.gz CAJSOQCXBOVDOP-AWEZNQCLSA-N 2 1 393.329 2.693 20 0 GFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cc(Br)nn3C)c2)CCO1 ZINC000785432809 657364038 /nfs/dbraw/zinc/36/40/38/657364038.db2.gz CAJSOQCXBOVDOP-AWEZNQCLSA-N 2 1 393.329 2.693 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)CN1CC(c2ccc(Br)cc2)=CC1=O ZINC000844692427 661433908 /nfs/dbraw/zinc/43/39/08/661433908.db2.gz YXQVULACQWYVJG-UHFFFAOYSA-N 2 1 392.341 2.906 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845411226 661469556 /nfs/dbraw/zinc/46/95/56/661469556.db2.gz QEIVMLBYVMCTAD-NXHRZFHOSA-N 2 1 376.948 2.749 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccnc1SC(F)(F)F ZINC000855346035 661987248 /nfs/dbraw/zinc/98/72/48/661987248.db2.gz MCVGLEFHNQHTLZ-LBPRGKRZSA-N 2 1 378.464 2.695 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856950362 662054280 /nfs/dbraw/zinc/05/42/80/662054280.db2.gz ZGUIYYIBDGZNSZ-GJZGRUSLSA-N 2 1 379.376 2.628 20 0 GFADMP C[C@H]1C[N@H+](CCc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878323978 662893839 /nfs/dbraw/zinc/89/38/39/662893839.db2.gz FRPSHCDCDGMGKF-LPHOPBHVSA-N 2 1 380.374 2.949 20 0 GFADMP C[C@H]1C[N@@H+](CCc2ccccc2Br)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878323978 662893841 /nfs/dbraw/zinc/89/38/41/662893841.db2.gz FRPSHCDCDGMGKF-LPHOPBHVSA-N 2 1 380.374 2.949 20 0 GFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(Br)nn1 ZINC000892845785 663386519 /nfs/dbraw/zinc/38/65/19/663386519.db2.gz HBXOZBPTQNKDOK-UHFFFAOYSA-N 2 1 396.377 2.872 20 0 GFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nc(Br)nn2C)C[N@H+]1Cc1ccccc1 ZINC000894360377 663457618 /nfs/dbraw/zinc/45/76/18/663457618.db2.gz ZXCBCZAMMYSEGZ-ZBFHGGJFSA-N 2 1 392.345 2.968 20 0 GFADMP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@@H]1C(C)C ZINC000922392719 664599143 /nfs/dbraw/zinc/59/91/43/664599143.db2.gz GQGKDUIGZQZEMZ-AVRGHOLYSA-N 2 1 388.375 2.865 20 0 GFADMP CC[N@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ncc(Br)s3)C2)[C@@H]1C(C)C ZINC000922392719 664599146 /nfs/dbraw/zinc/59/91/46/664599146.db2.gz GQGKDUIGZQZEMZ-AVRGHOLYSA-N 2 1 388.375 2.865 20 0 GFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923288471 664627426 /nfs/dbraw/zinc/62/74/26/664627426.db2.gz KEOKWXQLVJLAMI-OBJOEFQTSA-N 2 1 391.737 2.901 20 0 GFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924965446 664664443 /nfs/dbraw/zinc/66/44/43/664664443.db2.gz IHSSCADVXYITIY-QGZVFWFLSA-N 2 1 381.362 2.839 20 0 GFADMP Cc1cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cnc1Br ZINC000930525769 664772258 /nfs/dbraw/zinc/77/22/58/664772258.db2.gz KDYVDDTUTDUMQK-UHFFFAOYSA-N 2 1 390.285 2.552 20 0 GFADMP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH+](C)C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000931489194 664796277 /nfs/dbraw/zinc/79/62/77/664796277.db2.gz ZBXXOEZGQYZLMT-ZDUSSCGKSA-N 2 1 388.339 2.559 20 0 GFADMP Cc1[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)cc2[nH]ccc21 ZINC001164740517 720843343 /nfs/dbraw/zinc/84/33/43/720843343.db2.gz CFIGPSDSGOCRPY-LVCYWYKZSA-N 2 1 391.523 2.842 20 0 GFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]21 ZINC001165024915 721813588 /nfs/dbraw/zinc/81/35/88/721813588.db2.gz LGSISWKMCGFVRW-CGTJXYLNSA-N 2 1 393.491 2.544 20 0 GFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3[nH+]ccc4c3NC(=O)CO4)C[C@H]21 ZINC001165024915 721813590 /nfs/dbraw/zinc/81/35/90/721813590.db2.gz LGSISWKMCGFVRW-CGTJXYLNSA-N 2 1 393.491 2.544 20 0 GFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2ccc(Br)cc2)[C@H](C)C1 ZINC000156396865 551521719 /nfs/dbraw/zinc/52/17/19/551521719.db2.gz PDWRTZGPBCVFKA-RHSMWYFYSA-N 2 1 382.346 2.889 20 0 GFADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Br)cc1 ZINC000166450069 551632055 /nfs/dbraw/zinc/63/20/55/551632055.db2.gz AMFIEPLZTPHHJU-IAGOWNOFSA-N 2 1 380.330 2.785 20 0 GFADMP C[NH+](Cc1cc(Br)ccc1C[N@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000192073347 552549110 /nfs/dbraw/zinc/54/91/10/552549110.db2.gz UWUWDQCEFIBIRC-UHFFFAOYSA-N 2 1 387.362 2.855 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000192073347 552549112 /nfs/dbraw/zinc/54/91/12/552549112.db2.gz UWUWDQCEFIBIRC-UHFFFAOYSA-N 2 1 387.362 2.855 20 0 GFADMP C[NH+](Cc1ccc(Br)cc1C[N@@H+](C)CC(C)(C)O)CC(C)(C)O ZINC000192073347 552549113 /nfs/dbraw/zinc/54/91/13/552549113.db2.gz UWUWDQCEFIBIRC-UHFFFAOYSA-N 2 1 387.362 2.855 20 0 GFADMP [NH3+][C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000237864882 553083642 /nfs/dbraw/zinc/08/36/42/553083642.db2.gz JPNYNXHIRSKNPS-ZBFHGGJFSA-N 2 1 380.330 2.657 20 0 GFADMP Cc1[nH+]ccn1CC(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000297885131 563338744 /nfs/dbraw/zinc/33/87/44/563338744.db2.gz RHLFUZCULBQGHC-UHFFFAOYSA-N 2 1 379.302 2.544 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)s1 ZINC000422943257 563351820 /nfs/dbraw/zinc/35/18/20/563351820.db2.gz XTOSYHJCYVQJIP-GVDBMIGSSA-N 2 1 385.599 2.789 20 0 GFADMP CC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156187 563357596 /nfs/dbraw/zinc/35/75/96/563357596.db2.gz MGVIYINAYIAWNZ-XIRDDKMYSA-N 2 1 385.346 2.729 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1Br ZINC000423165761 563357731 /nfs/dbraw/zinc/35/77/31/563357731.db2.gz UVHDXTKIMWSKIM-QRTARXTBSA-N 2 1 385.346 2.729 20 0 GFADMP CC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000423156184 563357847 /nfs/dbraw/zinc/35/78/47/563357847.db2.gz MGVIYINAYIAWNZ-OIISXLGYSA-N 2 1 385.346 2.729 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165755 563357854 /nfs/dbraw/zinc/35/78/54/563357854.db2.gz UVHDXTKIMWSKIM-FRFSOERESA-N 2 1 385.346 2.729 20 0 GFADMP COC[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(Cl)c1F ZINC000423405349 563360473 /nfs/dbraw/zinc/36/04/73/563360473.db2.gz ZAFKGVQGSRHRJW-KGLIPLIRSA-N 2 1 383.817 2.592 20 0 GFADMP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](CCO)[C@@H](C)C3)c2cc1Br ZINC000425270558 563416300 /nfs/dbraw/zinc/41/63/00/563416300.db2.gz SWOWTXUOPVLROF-BETUJISGSA-N 2 1 394.313 2.897 20 0 GFADMP COC(=O)[C@@H]1C[N@@H+](CCc2cncn2C)C[C@H]1c1ccc(Br)cc1 ZINC000425519980 563426683 /nfs/dbraw/zinc/42/66/83/563426683.db2.gz QBVMHICCDCCHSP-DLBZAZTESA-N 2 1 392.297 2.614 20 0 GFADMP Cc1c(Br)cccc1CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000376630046 563449022 /nfs/dbraw/zinc/44/90/22/563449022.db2.gz YQBFMZLDTDCZLO-INIZCTEOSA-N 2 1 394.357 2.585 20 0 GFADMP Cc1c(Br)cccc1CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000376630046 563449023 /nfs/dbraw/zinc/44/90/23/563449023.db2.gz YQBFMZLDTDCZLO-INIZCTEOSA-N 2 1 394.357 2.585 20 0 GFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cc3c(cc2Br)OCO3)CC1 ZINC000333078304 563619512 /nfs/dbraw/zinc/61/95/12/563619512.db2.gz AGRLGWGQQKJSNG-CRAIPNDOSA-N 2 1 397.313 2.896 20 0 GFADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cnc4ccc(Br)cn34)CC2)C1 ZINC000333201651 563623809 /nfs/dbraw/zinc/62/38/09/563623809.db2.gz XYOHGCIPWPDACA-WBVHZDCISA-N 2 1 393.329 2.815 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000360890182 563695188 /nfs/dbraw/zinc/69/51/88/563695188.db2.gz XTXNEHNNCQLOMZ-XYPHTWIQSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000360890182 563695191 /nfs/dbraw/zinc/69/51/91/563695191.db2.gz XTXNEHNNCQLOMZ-XYPHTWIQSA-N 2 1 396.329 2.619 20 0 GFADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2cn(-c3cccc(Br)c3)nn2)CC[NH2+]1 ZINC000414759591 563752626 /nfs/dbraw/zinc/75/26/26/563752626.db2.gz FHUNRUYHZVZTGA-KBPBESRZSA-N 2 1 378.318 2.850 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247367 563837784 /nfs/dbraw/zinc/83/77/84/563837784.db2.gz URGDHXJIPHCFJR-DQEVTTJGSA-N 2 1 397.357 2.962 20 0 GFADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cc4c(c(Br)c3)OCO4)CC2)C1 ZINC000563519411 564193939 /nfs/dbraw/zinc/19/39/39/564193939.db2.gz OJEFXCMWRFGJQU-GOEBONIOSA-N 2 1 397.313 2.896 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)Cc2cc(Br)ccc2OC)[C@@H](C)C1 ZINC000449680709 564195901 /nfs/dbraw/zinc/19/59/01/564195901.db2.gz KMZYWNODBHKQHV-DAYGRLMNSA-N 2 1 399.373 2.929 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccc(Br)cc3)C2)CC1 ZINC000540192297 564241640 /nfs/dbraw/zinc/24/16/40/564241640.db2.gz CSABBBPIKYEVDJ-MRXNPFEDSA-N 2 1 396.373 2.976 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3ccc(Br)cc32)CC1 ZINC000510693741 564344131 /nfs/dbraw/zinc/34/41/31/564344131.db2.gz CPCXMIPICRUAQK-SFHVURJKSA-N 2 1 394.357 2.969 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000510990645 564353054 /nfs/dbraw/zinc/35/30/54/564353054.db2.gz DCQQNKRVAJUOTD-HNNXBMFYSA-N 2 1 398.326 2.852 20 0 GFADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Br)cc1F ZINC000567889745 564394369 /nfs/dbraw/zinc/39/43/69/564394369.db2.gz QFAACUODQTYNFG-KRWDZBQOSA-N 2 1 384.293 2.992 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000479691771 564447621 /nfs/dbraw/zinc/44/76/21/564447621.db2.gz LZDSCACRTWAVJX-OAHLLOKOSA-N 2 1 395.345 2.884 20 0 GFADMP C[NH+](C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)c1ccccc1Cl ZINC000481279935 564508995 /nfs/dbraw/zinc/50/89/95/564508995.db2.gz ZCNKKMDUFDJORI-SJLPKXTDSA-N 2 1 384.977 2.679 20 0 GFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548062 564545970 /nfs/dbraw/zinc/54/59/70/564545970.db2.gz LXLYDVXFQHJWNH-TZMCWYRMSA-N 2 1 386.309 2.826 20 0 GFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(F)c(Br)c1 ZINC000482548062 564545974 /nfs/dbraw/zinc/54/59/74/564545974.db2.gz LXLYDVXFQHJWNH-TZMCWYRMSA-N 2 1 386.309 2.826 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H]2CCCCc3cc(Br)ccc32)CC1 ZINC000549226086 564588554 /nfs/dbraw/zinc/58/85/54/564588554.db2.gz FXWACRDRFKVUQT-GOSISDBHSA-N 2 1 394.357 2.970 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2cc(Cl)ccc2Cl)CCCO1 ZINC000572752939 564609438 /nfs/dbraw/zinc/60/94/38/564609438.db2.gz PAJUVOREHAHMHE-ZBFHGGJFSA-N 2 1 391.339 2.824 20 0 GFADMP COc1cc(Br)c(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1O ZINC000573576740 564644612 /nfs/dbraw/zinc/64/46/12/564644612.db2.gz WIYVARLHYYPAJJ-YJBOKZPZSA-N 2 1 399.329 2.882 20 0 GFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCOc3ccc(Br)cc3)C2)CC1 ZINC000524751293 564686232 /nfs/dbraw/zinc/68/62/32/564686232.db2.gz NHPOKNYGHWILHK-SFHVURJKSA-N 2 1 396.373 2.928 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H](O)COc2c(Cl)cccc2Cl)CCCO1 ZINC000575252867 564695230 /nfs/dbraw/zinc/69/52/30/564695230.db2.gz PUXPTCOIQJBNLU-HUUCEWRRSA-N 2 1 391.339 2.824 20 0 GFADMP CN(CCC[N@H+](C)Cc1nc2ccc(Br)cc2n1C)CC[NH+](C)C ZINC000576023486 564704879 /nfs/dbraw/zinc/70/48/79/564704879.db2.gz SLXVQDWHXFEVPR-UHFFFAOYSA-N 2 1 396.377 2.651 20 0 GFADMP CN(CCC[N@@H+](C)Cc1nc2ccc(Br)cc2n1C)CC[NH+](C)C ZINC000576023486 564704881 /nfs/dbraw/zinc/70/48/81/564704881.db2.gz SLXVQDWHXFEVPR-UHFFFAOYSA-N 2 1 396.377 2.651 20 0 GFADMP C[N@H+](C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000576272369 564711296 /nfs/dbraw/zinc/71/12/96/564711296.db2.gz WXLRFUVVBBVINQ-GOSISDBHSA-N 2 1 397.357 2.542 20 0 GFADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000576272369 564711299 /nfs/dbraw/zinc/71/12/99/564711299.db2.gz WXLRFUVVBBVINQ-GOSISDBHSA-N 2 1 397.357 2.542 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1 ZINC000459693901 564757843 /nfs/dbraw/zinc/75/78/43/564757843.db2.gz IBUWPLUVFHDNPP-AWEZNQCLSA-N 2 1 396.304 2.990 20 0 GFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3cccc(Br)c3C2)CC1(C)C ZINC000555586894 564798395 /nfs/dbraw/zinc/79/83/95/564798395.db2.gz JXWINBWPZCLZBI-INIZCTEOSA-N 2 1 380.374 2.922 20 0 GFADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000581484242 564804183 /nfs/dbraw/zinc/80/41/83/564804183.db2.gz YSNNJXJJVIMYJA-CZUORRHYSA-N 2 1 389.309 2.649 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CC(c3ccc(Br)cc3)C2)C1 ZINC000493977709 564815193 /nfs/dbraw/zinc/81/51/93/564815193.db2.gz PBPUFQFTVRRIRD-HJOIGYKYSA-N 2 1 394.357 2.872 20 0 GFADMP Cc1cc([C@@H]2CCC[N@H+]2CCC(=O)N2CC[NH2+]CC2)ccc1Br ZINC000582546919 564850854 /nfs/dbraw/zinc/85/08/54/564850854.db2.gz SXATWVKOTBQQSX-KRWDZBQOSA-N 2 1 380.330 2.716 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1SCCc2sccc21 ZINC000463627260 564885195 /nfs/dbraw/zinc/88/51/95/564885195.db2.gz JGDAMDVTAQSPNH-CRAIPNDOSA-N 2 1 381.611 2.953 20 0 GFADMP Cc1c(Br)cc(C[NH2+]C[C@]2(O)CCN(C)C2)cc1Br ZINC000560080245 564948613 /nfs/dbraw/zinc/94/86/13/564948613.db2.gz KNPHJYKTOLIDKS-CQSZACIVSA-N 2 1 392.135 2.676 20 0 GFADMP Cc1c(Br)cc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1Br ZINC000560080245 564948615 /nfs/dbraw/zinc/94/86/15/564948615.db2.gz KNPHJYKTOLIDKS-CQSZACIVSA-N 2 1 392.135 2.676 20 0 GFADMP Cc1c(Br)cc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1Br ZINC000560080245 564948616 /nfs/dbraw/zinc/94/86/16/564948616.db2.gz KNPHJYKTOLIDKS-CQSZACIVSA-N 2 1 392.135 2.676 20 0 GFADMP C[C@H](C[NH2+]Cc1nc2cc(Br)ccc2o1)CN1CC[NH+](C)CC1 ZINC000638553152 565201435 /nfs/dbraw/zinc/20/14/35/565201435.db2.gz RGYPCBIBJDLTFH-CYBMUJFWSA-N 2 1 381.318 2.563 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000638620463 565205813 /nfs/dbraw/zinc/20/58/13/565205813.db2.gz RGNBHLNQMBLXOQ-AWEZNQCLSA-N 2 1 382.302 2.917 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(Br)ccc2F)CC1 ZINC000619176708 565330615 /nfs/dbraw/zinc/33/06/15/565330615.db2.gz GTSUIADEJCIHMD-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP Clc1ccc(CCN2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1Cl ZINC000662278974 565357632 /nfs/dbraw/zinc/35/76/32/565357632.db2.gz CTBFKYHAUASTCO-INIZCTEOSA-N 2 1 384.351 2.675 20 0 GFADMP C[C@H](c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662264043 565358054 /nfs/dbraw/zinc/35/80/54/565358054.db2.gz POCYCGGUNJLRKR-CRAIPNDOSA-N 2 1 394.357 2.649 20 0 GFADMP C[NH2+][C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1cccc(Cl)c1Cl ZINC000662398653 565366156 /nfs/dbraw/zinc/36/61/56/565366156.db2.gz ZVSMHUVYIHSCAD-QGZVFWFLSA-N 2 1 381.307 2.945 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC([NH2+]CC2CC2)CC1 ZINC000662421024 565367643 /nfs/dbraw/zinc/36/76/43/565367643.db2.gz GSZGXUHPOUOFSJ-UHFFFAOYSA-N 2 1 384.343 2.718 20 0 GFADMP C[N@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)Cc1ccc(F)cc1 ZINC000662490412 565371099 /nfs/dbraw/zinc/37/10/99/565371099.db2.gz PRHARWFYBDLETL-QGZVFWFLSA-N 2 1 394.288 2.836 20 0 GFADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1ccccc1Br)Cc1ccc(F)cc1 ZINC000662490412 565371102 /nfs/dbraw/zinc/37/11/02/565371102.db2.gz PRHARWFYBDLETL-QGZVFWFLSA-N 2 1 394.288 2.836 20 0 GFADMP C[NH2+][C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)c1cccc(Cl)c1Cl ZINC000662489214 565371173 /nfs/dbraw/zinc/37/11/73/565371173.db2.gz KJWOYTRBOMYQKJ-GDBMZVCRSA-N 2 1 376.353 2.807 20 0 GFADMP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662487070 565371262 /nfs/dbraw/zinc/37/12/62/565371262.db2.gz SALCVWFGSUKDPV-WMLDXEAASA-N 2 1 380.330 2.639 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662487070 565371267 /nfs/dbraw/zinc/37/12/67/565371267.db2.gz SALCVWFGSUKDPV-WMLDXEAASA-N 2 1 380.330 2.639 20 0 GFADMP Cc1nc(C)c(Br)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000663747335 565433932 /nfs/dbraw/zinc/43/39/32/565433932.db2.gz HKVQUBPANFDHTO-XYPWUTKMSA-N 2 1 394.361 2.603 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H](O)COc2ccc(Cl)c(Cl)c2)CCCO1 ZINC000644632304 565486331 /nfs/dbraw/zinc/48/63/31/565486331.db2.gz WIYPOGKDEVDGBV-GJZGRUSLSA-N 2 1 391.339 2.824 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000623401040 565508194 /nfs/dbraw/zinc/50/81/94/565508194.db2.gz OZMQDWLQMWILJD-OAHLLOKOSA-N 2 1 387.615 2.784 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1nc(-c2ccsc2)ns1 ZINC000666682042 565548078 /nfs/dbraw/zinc/54/80/78/565548078.db2.gz IDLDPRUCWSPOAG-LBPRGKRZSA-N 2 1 382.559 2.660 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1nc(-c2ccsc2)ns1 ZINC000666682042 565548081 /nfs/dbraw/zinc/54/80/81/565548081.db2.gz IDLDPRUCWSPOAG-LBPRGKRZSA-N 2 1 382.559 2.660 20 0 GFADMP C[N@@H+](CCc1ccc(Br)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000647884145 565680694 /nfs/dbraw/zinc/68/06/94/565680694.db2.gz TULCVPYSCJTMAU-OALUTQOASA-N 2 1 377.326 2.854 20 0 GFADMP O=C1Nc2ccc(Br)cc2CC[C@H]1[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000629531842 565857717 /nfs/dbraw/zinc/85/77/17/565857717.db2.gz ABDXPUJOWGXKMP-JKIFEVAISA-N 2 1 378.314 2.634 20 0 GFADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629569322 565859093 /nfs/dbraw/zinc/85/90/93/565859093.db2.gz ZOOYQLKCFBUTSD-NSHDSACASA-N 2 1 381.826 2.854 20 0 GFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629569322 565859096 /nfs/dbraw/zinc/85/90/96/565859096.db2.gz ZOOYQLKCFBUTSD-NSHDSACASA-N 2 1 381.826 2.854 20 0 GFADMP COc1c(Br)cc(Br)cc1C[N@H+](C)CCOCC[NH3+] ZINC000629662435 565866265 /nfs/dbraw/zinc/86/62/65/565866265.db2.gz HZFXPURDWZRZKI-UHFFFAOYSA-N 2 1 396.123 2.627 20 0 GFADMP COc1c(Br)cc(Br)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629662435 565866268 /nfs/dbraw/zinc/86/62/68/565866268.db2.gz HZFXPURDWZRZKI-UHFFFAOYSA-N 2 1 396.123 2.627 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346047 565923071 /nfs/dbraw/zinc/92/30/71/565923071.db2.gz RWVUMEHJHULPSR-UNEWFSDZSA-N 2 1 396.329 2.606 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351611 565923536 /nfs/dbraw/zinc/92/35/36/565923536.db2.gz KXIPBOABBJHOEU-ALKREAHSSA-N 2 1 394.357 2.857 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360522 565924385 /nfs/dbraw/zinc/92/43/85/565924385.db2.gz KDZKHVDMNMBWJJ-DJIMGWMZSA-N 2 1 396.329 2.748 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360522 565924388 /nfs/dbraw/zinc/92/43/88/565924388.db2.gz KDZKHVDMNMBWJJ-DJIMGWMZSA-N 2 1 396.329 2.748 20 0 GFADMP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ncc(Br)cc1Cl ZINC000631114487 565943414 /nfs/dbraw/zinc/94/34/14/565943414.db2.gz WIJVWCRSCOISJJ-GFCCVEGCSA-N 2 1 375.742 2.613 20 0 GFADMP COc1ccc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cc1-c1nn[nH]n1 ZINC000826194619 607499396 /nfs/dbraw/zinc/49/93/96/607499396.db2.gz QVLVXXVCZGHPKY-MRXNPFEDSA-N 2 1 379.468 2.513 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)c2c1 ZINC000822195644 607030679 /nfs/dbraw/zinc/03/06/79/607030679.db2.gz ZDKOPALDKYNNPH-MAUKXSAKSA-N 2 1 377.496 2.952 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)c2c1 ZINC000822195644 607030681 /nfs/dbraw/zinc/03/06/81/607030681.db2.gz ZDKOPALDKYNNPH-MAUKXSAKSA-N 2 1 377.496 2.952 20 0 GFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccc(-c4nn[nH]n4)c3)C2)nc(C)[nH+]1 ZINC000826269124 609233017 /nfs/dbraw/zinc/23/30/17/609233017.db2.gz AVTJKYRIIYVLIE-RDTXWAMCSA-N 2 1 378.484 2.593 20 0 GFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)cc1Br ZINC000127944479 654838087 /nfs/dbraw/zinc/83/80/87/654838087.db2.gz JNOOPSDXIIMSOR-HIFRSBDPSA-N 2 1 398.345 2.696 20 0 GFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000111385218 655172579 /nfs/dbraw/zinc/17/25/79/655172579.db2.gz YHWDPSOHRKBORX-AWEZNQCLSA-N 2 1 392.345 2.565 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC1(Cl)Cl ZINC000856950363 662054451 /nfs/dbraw/zinc/05/44/51/662054451.db2.gz ZGUIYYIBDGZNSZ-HUUCEWRRSA-N 2 1 379.376 2.628 20 0 GFADMP C[C@@H](c1cccc(Br)c1)[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863547829 662336348 /nfs/dbraw/zinc/33/63/48/662336348.db2.gz LIUFDNLZHAUDHD-VUCTXSBTSA-N 2 1 394.313 2.767 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1nc(Br)sc1Cl ZINC000869238242 662637115 /nfs/dbraw/zinc/63/71/15/662637115.db2.gz YCCWNCFVEYBQIE-VIFPVBQESA-N 2 1 397.770 2.561 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1nc(Br)sc1Cl ZINC000869238242 662637118 /nfs/dbraw/zinc/63/71/18/662637118.db2.gz YCCWNCFVEYBQIE-VIFPVBQESA-N 2 1 397.770 2.561 20 0 GFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(Br)c2)CC1 ZINC000876996031 662869443 /nfs/dbraw/zinc/86/94/43/662869443.db2.gz MQQGAFVYLLTBLW-UHFFFAOYSA-N 2 1 399.329 2.826 20 0 GFADMP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1sc2c(c1Br)C[NH2+]C2 ZINC000877341456 662873991 /nfs/dbraw/zinc/87/39/91/662873991.db2.gz XQKXTSKQXKWLKR-LBPRGKRZSA-N 2 1 392.322 2.558 20 0 GFADMP C[N@@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571932 662929746 /nfs/dbraw/zinc/92/97/46/662929746.db2.gz UROCOUPREPKSNT-BLLLJJGKSA-N 2 1 384.293 2.943 20 0 GFADMP C[N@H+]1CC[C@H]2C[NH+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571932 662929747 /nfs/dbraw/zinc/92/97/47/662929747.db2.gz UROCOUPREPKSNT-BLLLJJGKSA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571932 662929749 /nfs/dbraw/zinc/92/97/49/662929749.db2.gz UROCOUPREPKSNT-BLLLJJGKSA-N 2 1 384.293 2.943 20 0 GFADMP C[NH+]1CC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)CC[C@H]21 ZINC000879571932 662929750 /nfs/dbraw/zinc/92/97/50/662929750.db2.gz UROCOUPREPKSNT-BLLLJJGKSA-N 2 1 384.293 2.943 20 0 GFADMP Brc1ccc(OCCCC[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000903751069 663805967 /nfs/dbraw/zinc/80/59/67/663805967.db2.gz DMFDDQKERFEALW-KRWDZBQOSA-N 2 1 382.346 2.588 20 0 GFADMP Cc1nc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)sc1Br ZINC000921686051 664560761 /nfs/dbraw/zinc/56/07/61/664560761.db2.gz FDZGTMWHUFQMAV-UHFFFAOYSA-N 2 1 375.380 2.577 20 0 GFADMP C[NH2+]C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283911 664627431 /nfs/dbraw/zinc/62/74/31/664627431.db2.gz ZFMUZAUWQGHCRU-JSGCOSHPSA-N 2 1 391.737 2.774 20 0 GFADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923283911 664627433 /nfs/dbraw/zinc/62/74/33/664627433.db2.gz ZFMUZAUWQGHCRU-JSGCOSHPSA-N 2 1 391.737 2.774 20 0 GFADMP Cc1cc(Br)cn2cc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)nc12 ZINC000925648199 664673740 /nfs/dbraw/zinc/67/37/40/664673740.db2.gz QMRVPTDQXNZJGF-NCZBFZFDSA-N 2 1 375.314 2.534 20 0 GFADMP [NH3+][C@@H]1C[C@H]2COC[C@@H](C1)[C@@H]2[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000925720031 664674269 /nfs/dbraw/zinc/67/42/69/664674269.db2.gz DIFIXZOBAIJBDQ-DAGZJUSDSA-N 2 1 375.257 2.883 20 0 GFADMP Clc1cc(C2CC[NH2+]CC2)nc(N2CC[C@H]3[C@H]2CC[N@H+]3Cc2cccnc2)n1 ZINC001164721695 720360699 /nfs/dbraw/zinc/36/06/99/720360699.db2.gz DARYETJQVZBVEJ-RBUKOAKNSA-N 2 1 398.942 2.845 20 0 GFADMP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]2C1 ZINC001164859553 720859026 /nfs/dbraw/zinc/85/90/26/720859026.db2.gz UHNVTHDMNKITEG-YLJYHZDGSA-N 2 1 399.539 2.720 20 0 GFADMP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cnc4c3ccn4C3CCCC3)CC[C@@H]2C1 ZINC001164859553 720859031 /nfs/dbraw/zinc/85/90/31/720859031.db2.gz UHNVTHDMNKITEG-YLJYHZDGSA-N 2 1 399.539 2.720 20 0 GFADMP COc1cc(N2C[C@H]3CC[N@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]c2ccccc21 ZINC001164764214 721171617 /nfs/dbraw/zinc/17/16/17/721171617.db2.gz GOURVROWXGVCNF-QZTJIDSGSA-N 2 1 377.492 2.935 20 0 GFADMP COc1cc(N2C[C@H]3CC[N@@H+](Cc4cnn(C)c4)C[C@@H]3C2)[nH+]c2ccccc21 ZINC001164764214 721171626 /nfs/dbraw/zinc/17/16/26/721171626.db2.gz GOURVROWXGVCNF-QZTJIDSGSA-N 2 1 377.492 2.935 20 0 GFADMP Cc1[nH+]c(N2CC[C@@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc2[nH]ccc21 ZINC001164889542 721429169 /nfs/dbraw/zinc/42/91/69/721429169.db2.gz BMGYMCLOYRVAKP-PGRDOPGGSA-N 2 1 383.540 2.637 20 0 GFADMP CC(C)Oc1cc[nH+]c(N2CC[C@@H]3C[N@@H+](Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164982061 722124223 /nfs/dbraw/zinc/12/42/23/722124223.db2.gz VUMFNNHCPNPIFD-TZIWHRDSSA-N 2 1 382.508 2.991 20 0 GFADMP Brc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000188694656 552452615 /nfs/dbraw/zinc/45/26/15/552452615.db2.gz IDAQNIGCUAYOQC-HNNXBMFYSA-N 2 1 394.357 2.860 20 0 GFADMP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000193474310 552994523 /nfs/dbraw/zinc/99/45/23/552994523.db2.gz MJKUXDQOEUTHCY-OAHLLOKOSA-N 2 1 395.345 2.981 20 0 GFADMP Brc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)OCO2 ZINC000193869797 553005407 /nfs/dbraw/zinc/00/54/07/553005407.db2.gz QINLNRWNWVGISR-UHFFFAOYSA-N 2 1 397.313 2.722 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261972599 553163488 /nfs/dbraw/zinc/16/34/88/553163488.db2.gz ZFIMLKAUTZBPNZ-RDJZCZTQSA-N 2 1 380.330 2.529 20 0 GFADMP O=C(CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000262079823 553165225 /nfs/dbraw/zinc/16/52/25/553165225.db2.gz KPMFRONTHLQAEX-OAHLLOKOSA-N 2 1 386.323 2.659 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420411283 563262720 /nfs/dbraw/zinc/26/27/20/563262720.db2.gz YPJUDGUJVIQNCM-QAPCUYQASA-N 2 1 394.357 2.872 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420411283 563262722 /nfs/dbraw/zinc/26/27/22/563262722.db2.gz YPJUDGUJVIQNCM-QAPCUYQASA-N 2 1 394.357 2.872 20 0 GFADMP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)C(=O)Nc1cccc(Br)c1)C2 ZINC000371490068 563279328 /nfs/dbraw/zinc/27/93/28/563279328.db2.gz CKCRYWWOVNIXEW-WFASDCNBSA-N 2 1 377.286 2.886 20 0 GFADMP C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)c1c[nH+]ccc1N ZINC000423167189 563357866 /nfs/dbraw/zinc/35/78/66/563357866.db2.gz DSJMEFVTNHKVEU-AAEUAGOBSA-N 2 1 382.277 2.898 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2c3cc(Br)ccc3CC2(C)C)CC1 ZINC000429272873 563513428 /nfs/dbraw/zinc/51/34/28/563513428.db2.gz LMHGVLLAHUBISO-SFHVURJKSA-N 2 1 394.357 2.826 20 0 GFADMP CC[N@@H+]1CCc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc2C1 ZINC000411258329 563612089 /nfs/dbraw/zinc/61/20/89/563612089.db2.gz UXXGAVPEDVYWSM-CQSZACIVSA-N 2 1 380.583 2.677 20 0 GFADMP CC[N@H+]1CCc2nc(NC(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)sc2C1 ZINC000411258329 563612091 /nfs/dbraw/zinc/61/20/91/563612091.db2.gz UXXGAVPEDVYWSM-CQSZACIVSA-N 2 1 380.583 2.677 20 0 GFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc3ccc(Br)cn23)CC1 ZINC000333109806 563620636 /nfs/dbraw/zinc/62/06/36/563620636.db2.gz GFAYAHDGJGQBHN-WMZOPIPTSA-N 2 1 393.329 2.815 20 0 GFADMP CC[N@@H+](CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)CCC(F)(F)F ZINC000412283576 563652529 /nfs/dbraw/zinc/65/25/29/563652529.db2.gz IIJBJUCXKXDMOQ-HNNXBMFYSA-N 2 1 381.508 2.594 20 0 GFADMP CC[NH+](CC)CC(=O)NC1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000412970018 563677302 /nfs/dbraw/zinc/67/73/02/563677302.db2.gz KRRZHZMZWCULDR-UHFFFAOYSA-N 2 1 382.346 2.872 20 0 GFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414282555 563724636 /nfs/dbraw/zinc/72/46/36/563724636.db2.gz HQOQEQMQSGYJIH-GASCZTMLSA-N 2 1 387.977 2.835 20 0 GFADMP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(N2CCOCC2)c1 ZINC000414823497 563753638 /nfs/dbraw/zinc/75/36/38/563753638.db2.gz DMSSUSXUDBERSN-SJPCQFCGSA-N 2 1 380.330 2.658 20 0 GFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348551 563758393 /nfs/dbraw/zinc/75/83/93/563758393.db2.gz CNBBOUKKHOFVAH-DLBZAZTESA-N 2 1 385.346 2.995 20 0 GFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348551 563758394 /nfs/dbraw/zinc/75/83/94/563758394.db2.gz CNBBOUKKHOFVAH-DLBZAZTESA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348551 563758396 /nfs/dbraw/zinc/75/83/96/563758396.db2.gz CNBBOUKKHOFVAH-DLBZAZTESA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)COc1ccc(Br)cc1 ZINC000441348551 563758397 /nfs/dbraw/zinc/75/83/97/563758397.db2.gz CNBBOUKKHOFVAH-DLBZAZTESA-N 2 1 385.346 2.995 20 0 GFADMP CCCOc1c(Br)cc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1OC ZINC000415146259 563761141 /nfs/dbraw/zinc/76/11/41/563761141.db2.gz YAZXCTQSHVDHHD-UHFFFAOYSA-N 2 1 387.318 2.532 20 0 GFADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554498 563813787 /nfs/dbraw/zinc/81/37/87/563813787.db2.gz MEQWMZGRWXFAAN-KRWDZBQOSA-N 2 1 384.293 2.944 20 0 GFADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554498 563813790 /nfs/dbraw/zinc/81/37/90/563813790.db2.gz MEQWMZGRWXFAAN-KRWDZBQOSA-N 2 1 384.293 2.944 20 0 GFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C2)C1 ZINC000366554498 563813793 /nfs/dbraw/zinc/81/37/93/563813793.db2.gz MEQWMZGRWXFAAN-KRWDZBQOSA-N 2 1 384.293 2.944 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000367247370 563838045 /nfs/dbraw/zinc/83/80/45/563838045.db2.gz URGDHXJIPHCFJR-ZWQIFLOQSA-N 2 1 397.357 2.962 20 0 GFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(I)cc1 ZINC000449148056 563907457 /nfs/dbraw/zinc/90/74/57/563907457.db2.gz IVJGIROQWAIOIY-INIZCTEOSA-N 2 1 388.293 2.618 20 0 GFADMP Ic1cccc(OCCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000564973711 564261308 /nfs/dbraw/zinc/26/13/08/564261308.db2.gz YBIKUDBOCAOTTK-MRXNPFEDSA-N 2 1 386.277 2.746 20 0 GFADMP C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000512542105 564404883 /nfs/dbraw/zinc/40/48/83/564404883.db2.gz KPROFMMARLXJCE-WFVVYAPDSA-N 2 1 383.330 2.746 20 0 GFADMP C[NH+](C[C@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000512542105 564404887 /nfs/dbraw/zinc/40/48/87/564404887.db2.gz KPROFMMARLXJCE-WFVVYAPDSA-N 2 1 383.330 2.746 20 0 GFADMP C[NH+](C[C@H](O)COc1ccc(Br)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000512542105 564404890 /nfs/dbraw/zinc/40/48/90/564404890.db2.gz KPROFMMARLXJCE-WFVVYAPDSA-N 2 1 383.330 2.746 20 0 GFADMP Cc1cc(Br)cn2cc(CNC(=O)N(C)C[C@@H]3CCC[N@H+]3C)nc12 ZINC000571156119 564538033 /nfs/dbraw/zinc/53/80/33/564538033.db2.gz YIRWLPBCLVNJFE-HNNXBMFYSA-N 2 1 394.317 2.641 20 0 GFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc32)CC1 ZINC000482889963 564552400 /nfs/dbraw/zinc/55/24/00/564552400.db2.gz MQECNKODDWSXOW-SFHVURJKSA-N 2 1 394.357 2.969 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3F)C[C@H]21 ZINC000573685259 564650049 /nfs/dbraw/zinc/65/00/49/564650049.db2.gz ZMPGTZFLJDPEAG-UXIGCNINSA-N 2 1 384.293 2.976 20 0 GFADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000523857865 564673615 /nfs/dbraw/zinc/67/36/15/564673615.db2.gz CMESKHXNIPQMEU-SFHVURJKSA-N 2 1 396.373 2.930 20 0 GFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000523857865 564673619 /nfs/dbraw/zinc/67/36/19/564673619.db2.gz CMESKHXNIPQMEU-SFHVURJKSA-N 2 1 396.373 2.930 20 0 GFADMP Cc1cc(Br)cn2c(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cnc12 ZINC000574453273 564674077 /nfs/dbraw/zinc/67/40/77/564674077.db2.gz LEBGPHUIPXLBGB-SJORKVTESA-N 2 1 393.329 2.733 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350465 564743237 /nfs/dbraw/zinc/74/32/37/564743237.db2.gz DNKZYNNWXQQYTM-FMKPAKJESA-N 2 1 377.476 2.736 20 0 GFADMP C[C@H]1CN(Cc2cccc(O)c2Br)CC[N@H+]1C1CCN(C)CC1 ZINC000459557274 564750714 /nfs/dbraw/zinc/75/07/14/564750714.db2.gz JHLFEMBIEZCOKG-AWEZNQCLSA-N 2 1 382.346 2.755 20 0 GFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685730 564756889 /nfs/dbraw/zinc/75/68/89/564756889.db2.gz BEYLLRRBRKRASV-BMGDILEWSA-N 2 1 385.321 2.956 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076279 564812241 /nfs/dbraw/zinc/81/22/41/564812241.db2.gz LWZQTFAFDWHKHQ-WCQYABFASA-N 2 1 386.359 2.675 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000556076279 564812242 /nfs/dbraw/zinc/81/22/42/564812242.db2.gz LWZQTFAFDWHKHQ-WCQYABFASA-N 2 1 386.359 2.675 20 0 GFADMP C[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000581667371 564813991 /nfs/dbraw/zinc/81/39/91/564813991.db2.gz JJOIXBQPHGAZPT-ZBFHGGJFSA-N 2 1 380.330 2.654 20 0 GFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494008217 564815596 /nfs/dbraw/zinc/81/55/96/564815596.db2.gz VJLQEEFSJNNKMR-ZDUSSCGKSA-N 2 1 388.737 2.780 20 0 GFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2ccc(Br)c(Cl)c2)C1 ZINC000494008217 564815597 /nfs/dbraw/zinc/81/55/97/564815597.db2.gz VJLQEEFSJNNKMR-ZDUSSCGKSA-N 2 1 388.737 2.780 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000582355364 564842422 /nfs/dbraw/zinc/84/24/22/564842422.db2.gz IASHRHYMRSIXAC-CJNGLKHVSA-N 2 1 382.302 2.620 20 0 GFADMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312058 564929759 /nfs/dbraw/zinc/92/97/59/564929759.db2.gz NUWZJPRQEWOIRE-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312058 564929763 /nfs/dbraw/zinc/92/97/63/564929763.db2.gz NUWZJPRQEWOIRE-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312058 564929766 /nfs/dbraw/zinc/92/97/66/564929766.db2.gz NUWZJPRQEWOIRE-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)COc3ccc(Br)cc3)C2)C1 ZINC000559312058 564929771 /nfs/dbraw/zinc/92/97/71/564929771.db2.gz NUWZJPRQEWOIRE-SJLPKXTDSA-N 2 1 383.330 2.607 20 0 GFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531171 564964685 /nfs/dbraw/zinc/96/46/85/564964685.db2.gz QZCPVAGAQVIQIS-BBRMVZONSA-N 2 1 393.329 2.619 20 0 GFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531171 564964687 /nfs/dbraw/zinc/96/46/87/564964687.db2.gz QZCPVAGAQVIQIS-BBRMVZONSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531171 564964689 /nfs/dbraw/zinc/96/46/89/564964689.db2.gz QZCPVAGAQVIQIS-BBRMVZONSA-N 2 1 393.329 2.619 20 0 GFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H](C)C1 ZINC000533531171 564964690 /nfs/dbraw/zinc/96/46/90/564964690.db2.gz QZCPVAGAQVIQIS-BBRMVZONSA-N 2 1 393.329 2.619 20 0 GFADMP CC[C@@H](Cc1ccc(Br)cc1)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000657870731 565134984 /nfs/dbraw/zinc/13/49/84/565134984.db2.gz FFXCDGRJLHEWMC-AEFFLSMTSA-N 2 1 396.373 2.947 20 0 GFADMP C[NH+](C)[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1cccc(Cl)c1 ZINC000638561628 565203371 /nfs/dbraw/zinc/20/33/71/565203371.db2.gz WNBUWGBKDMPQLW-SNPRPXQTSA-N 2 1 377.838 2.928 20 0 GFADMP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1sc2c(c1Br)C[NH2+]C2 ZINC000659314339 565211534 /nfs/dbraw/zinc/21/15/34/565211534.db2.gz WEJNSOLHGOHKEJ-UHFFFAOYSA-N 2 1 394.294 2.848 20 0 GFADMP O=C(NCc1cccc2c1CC[NH2+]C2)c1sc2c(c1Br)C[NH2+]C2 ZINC000638845727 565215190 /nfs/dbraw/zinc/21/51/90/565215190.db2.gz JKIIBGWOLHJZOH-UHFFFAOYSA-N 2 1 392.322 2.690 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)COc1c(Cl)cccc1Cl ZINC000617503362 565242231 /nfs/dbraw/zinc/24/22/31/565242231.db2.gz GCZCGEXXXBRZEH-ZDUSSCGKSA-N 2 1 376.328 2.760 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)COc1c(Cl)cccc1Cl ZINC000617503362 565242235 /nfs/dbraw/zinc/24/22/35/565242235.db2.gz GCZCGEXXXBRZEH-ZDUSSCGKSA-N 2 1 376.328 2.760 20 0 GFADMP Cc1sc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000617502471 565242525 /nfs/dbraw/zinc/24/25/25/565242525.db2.gz QELAEZDWIFCARP-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP Cc1sc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000617502471 565242527 /nfs/dbraw/zinc/24/25/27/565242527.db2.gz QELAEZDWIFCARP-NSHDSACASA-N 2 1 376.364 2.821 20 0 GFADMP Cc1cc(Br)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000662242749 565357666 /nfs/dbraw/zinc/35/76/66/565357666.db2.gz IHMZRGQGUNNCRO-LBPRGKRZSA-N 2 1 388.737 2.698 20 0 GFADMP Cc1cc(Br)c(C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1Cl ZINC000662242749 565357671 /nfs/dbraw/zinc/35/76/71/565357671.db2.gz IHMZRGQGUNNCRO-LBPRGKRZSA-N 2 1 388.737 2.698 20 0 GFADMP C[C@@H]1CCC[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)[C@@H]1CCC[NH3+] ZINC000662313471 565360308 /nfs/dbraw/zinc/36/03/08/565360308.db2.gz QXCAFKJSLXKPPG-CZUORRHYSA-N 2 1 393.329 2.796 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000662468561 565369667 /nfs/dbraw/zinc/36/96/67/565369667.db2.gz POUPOSRPUUWBMR-KRWDZBQOSA-N 2 1 380.330 2.926 20 0 GFADMP [NH3+][C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000662468561 565369670 /nfs/dbraw/zinc/36/96/70/565369670.db2.gz POUPOSRPUUWBMR-KRWDZBQOSA-N 2 1 380.330 2.926 20 0 GFADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662485579 565371516 /nfs/dbraw/zinc/37/15/16/565371516.db2.gz QLKQSRLDULROAW-NSHDSACASA-N 2 1 386.359 2.918 20 0 GFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662485579 565371520 /nfs/dbraw/zinc/37/15/20/565371520.db2.gz QLKQSRLDULROAW-NSHDSACASA-N 2 1 386.359 2.918 20 0 GFADMP C[N@@H+]1CCC[C@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@@H]21 ZINC000662502155 565372129 /nfs/dbraw/zinc/37/21/29/565372129.db2.gz JSOGNIDOOQMVKG-JQWIXIFHSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CCC[C@H]2CN(C(=O)c3sc4c(c3Br)C[NH2+]C4)CC[C@@H]21 ZINC000662502155 565372131 /nfs/dbraw/zinc/37/21/31/565372131.db2.gz JSOGNIDOOQMVKG-JQWIXIFHSA-N 2 1 384.343 2.670 20 0 GFADMP C[C@@H]1CC2(CN1C(=O)c1sc3c(c1Br)C[NH2+]C3)CC[NH2+]CC2 ZINC000662580946 565378197 /nfs/dbraw/zinc/37/81/97/565378197.db2.gz VFTLRPQTSRKHIC-SNVBAGLBSA-N 2 1 384.343 2.718 20 0 GFADMP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000662835000 565387394 /nfs/dbraw/zinc/38/73/94/565387394.db2.gz JZHCRLUQAOLLMB-SOLBZPMBSA-N 2 1 380.330 2.756 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000663004861 565392522 /nfs/dbraw/zinc/39/25/22/565392522.db2.gz SFSWEFPBSRTJFW-GFCCVEGCSA-N 2 1 398.370 2.966 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](CC2CC2)C1)c1sc2c(c1Br)C[NH2+]C2 ZINC000663004861 565392525 /nfs/dbraw/zinc/39/25/25/565392525.db2.gz SFSWEFPBSRTJFW-GFCCVEGCSA-N 2 1 398.370 2.966 20 0 GFADMP Ic1ccc([C@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884384 565496172 /nfs/dbraw/zinc/49/61/72/565496172.db2.gz FDXGOXHJSQCNDT-HZPDHXFCSA-N 2 1 398.288 2.949 20 0 GFADMP Ic1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884384 565496177 /nfs/dbraw/zinc/49/61/77/565496177.db2.gz FDXGOXHJSQCNDT-HZPDHXFCSA-N 2 1 398.288 2.949 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)C(C)(C)C3)c2cc1Br ZINC000644875648 565500331 /nfs/dbraw/zinc/50/03/31/565500331.db2.gz CSAKAGNVFGBJHZ-UHFFFAOYSA-N 2 1 394.313 2.899 20 0 GFADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)ccc1I ZINC000596652591 565530821 /nfs/dbraw/zinc/53/08/21/565530821.db2.gz VGTMEIAEZYHLMN-MRCXROJRSA-N 2 1 394.684 2.787 20 0 GFADMP C[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623522150 565516771 /nfs/dbraw/zinc/51/67/71/565516771.db2.gz ZAZGYRUAHRZGTB-GFCCVEGCSA-N 2 1 394.368 2.734 20 0 GFADMP C[N@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1(C)C ZINC000623522150 565516774 /nfs/dbraw/zinc/51/67/74/565516774.db2.gz ZAZGYRUAHRZGTB-GFCCVEGCSA-N 2 1 394.368 2.734 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978394 565686316 /nfs/dbraw/zinc/68/63/16/565686316.db2.gz RIMHFUHOHXYGBZ-VYDXJSESSA-N 2 1 380.330 2.687 20 0 GFADMP NC(=O)[C@H](c1cccc(Br)c1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978394 565686319 /nfs/dbraw/zinc/68/63/19/565686319.db2.gz RIMHFUHOHXYGBZ-VYDXJSESSA-N 2 1 380.330 2.687 20 0 GFADMP C[C@@H]1[C@H](C(=O)Nc2cc(Br)ccc2N(C)CC[NH+](C)C)CC[N@H+]1C ZINC000648934777 565740595 /nfs/dbraw/zinc/74/05/95/565740595.db2.gz MELLRMYTOSBICM-UKRRQHHQSA-N 2 1 397.361 2.726 20 0 GFADMP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccncc3Br)cn2)CC1 ZINC000631047415 565935517 /nfs/dbraw/zinc/93/55/17/565935517.db2.gz NHAAGNNDMDCXPY-UHFFFAOYSA-N 2 1 390.329 2.671 20 0 GFADMP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000683939746 566219744 /nfs/dbraw/zinc/21/97/44/566219744.db2.gz KNBDBLJNSLCKPO-LTIDMASMSA-N 2 1 383.989 2.890 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062303 660245012 /nfs/dbraw/zinc/24/50/12/660245012.db2.gz PPWYETNSQFVASD-MSOLQXFVSA-N 2 1 383.330 2.716 20 0 GFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCOc3cccc(Br)c3)C2)CC1 ZINC000107371567 655120301 /nfs/dbraw/zinc/12/03/01/655120301.db2.gz NGGVRDDITFCFNF-KRWDZBQOSA-N 2 1 382.346 2.540 20 0 GFADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CC[NH+](C)CC2)c2cccc(Br)c21 ZINC000178673377 655307795 /nfs/dbraw/zinc/30/77/95/655307795.db2.gz TUBQYBDUZMZGOX-CZUORRHYSA-N 2 1 380.330 2.751 20 0 GFADMP C[N@H+]1CCC[C@H]1C(=O)N(Cc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000575916088 655439848 /nfs/dbraw/zinc/43/98/48/655439848.db2.gz OYROIMPZTXKVBV-SFHVURJKSA-N 2 1 394.357 2.966 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2c(F)cccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261931932 655443033 /nfs/dbraw/zinc/44/30/33/655443033.db2.gz LQAMIZNTLOSLKX-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2c(F)cccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261931932 655443036 /nfs/dbraw/zinc/44/30/36/655443036.db2.gz LQAMIZNTLOSLKX-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000576726790 655451785 /nfs/dbraw/zinc/45/17/85/655451785.db2.gz CDXWQNJZIRTEJA-QGZVFWFLSA-N 2 1 382.346 2.728 20 0 GFADMP O=C1[C@H]([N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCN1c1cccc(Br)c1 ZINC000579834967 655504531 /nfs/dbraw/zinc/50/45/31/655504531.db2.gz MYSXTGFXVUWQBB-IIDMSEBBSA-N 2 1 392.341 2.876 20 0 GFADMP CC[N@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000747362843 655777926 /nfs/dbraw/zinc/77/79/26/655777926.db2.gz KJUOFUCGADWGMS-SJORKVTESA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000747362843 655777928 /nfs/dbraw/zinc/77/79/28/655777928.db2.gz KJUOFUCGADWGMS-SJORKVTESA-N 2 1 380.627 2.909 20 0 GFADMP CC[NH+]1CCC[C@H]1CNC(=S)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000747362843 655777929 /nfs/dbraw/zinc/77/79/29/655777929.db2.gz KJUOFUCGADWGMS-SJORKVTESA-N 2 1 380.627 2.909 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=S)NCCCCC(F)(F)F)CC1 ZINC000794971362 658642122 /nfs/dbraw/zinc/64/21/22/658642122.db2.gz LDHOGTVHNMTDSD-UHFFFAOYSA-N 2 1 375.464 2.852 20 0 GFADMP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749641 662440859 /nfs/dbraw/zinc/44/08/59/662440859.db2.gz USRLCVDEXVNXNK-NSHDSACASA-N 2 1 377.432 2.790 20 0 GFADMP CN1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749641 662440860 /nfs/dbraw/zinc/44/08/60/662440860.db2.gz USRLCVDEXVNXNK-NSHDSACASA-N 2 1 377.432 2.790 20 0 GFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870896615 662707167 /nfs/dbraw/zinc/70/71/67/662707167.db2.gz WWBKCWXIWWTUOZ-WMLDXEAASA-N 2 1 380.330 2.639 20 0 GFADMP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872148036 662756562 /nfs/dbraw/zinc/75/65/62/662756562.db2.gz HFEFTDFDZCQNOZ-GHMZBOCLSA-N 2 1 394.235 2.847 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Br)C[C@H]1C(F)(F)F ZINC000872148036 662756563 /nfs/dbraw/zinc/75/65/63/662756563.db2.gz HFEFTDFDZCQNOZ-GHMZBOCLSA-N 2 1 394.235 2.847 20 0 GFADMP COCCC1([NH2+]Cc2cc(Br)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000873224788 662803921 /nfs/dbraw/zinc/80/39/21/662803921.db2.gz MHQUAKNNKZOHEY-UHFFFAOYSA-N 2 1 399.329 2.859 20 0 GFADMP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1nc(Cl)ccc1Br ZINC000877405164 662875643 /nfs/dbraw/zinc/87/56/43/662875643.db2.gz JEUFEEOPQVYMHK-LBPRGKRZSA-N 2 1 375.742 2.613 20 0 GFADMP COCC[N@@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000877664211 662881182 /nfs/dbraw/zinc/88/11/82/662881182.db2.gz JZFPPRROTRMEPG-UHFFFAOYSA-N 2 1 382.858 2.883 20 0 GFADMP COCC[N@H+](Cc1c(Cl)n(C)nc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000877664211 662881184 /nfs/dbraw/zinc/88/11/84/662881184.db2.gz JZFPPRROTRMEPG-UHFFFAOYSA-N 2 1 382.858 2.883 20 0 GFADMP C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](Cc3ccc(Br)cc3)C2)CC1 ZINC000878651169 662901818 /nfs/dbraw/zinc/90/18/18/662901818.db2.gz VVKGKXTWOZXPLK-INIZCTEOSA-N 2 1 394.357 2.524 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3ncc(Br)n3C2)[C@H](C)C1 ZINC000903477489 663785257 /nfs/dbraw/zinc/78/52/57/663785257.db2.gz CNKLEILWXUNLOB-OAGGEKHMSA-N 2 1 399.377 2.687 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391371 664598484 /nfs/dbraw/zinc/59/84/84/664598484.db2.gz VRJFIGBMUFPQMI-LFVTVUPYSA-N 2 1 382.346 2.722 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391371 664598489 /nfs/dbraw/zinc/59/84/89/664598489.db2.gz VRJFIGBMUFPQMI-LFVTVUPYSA-N 2 1 382.346 2.722 20 0 GFADMP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+]CC(F)(F)c1ccc(Br)cc1 ZINC000925720029 664674103 /nfs/dbraw/zinc/67/41/03/664674103.db2.gz DIFIXZOBAIJBDQ-AENSPPBMSA-N 2 1 375.257 2.883 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(Br)n1)C2 ZINC000926878683 664698520 /nfs/dbraw/zinc/69/85/20/664698520.db2.gz HQLWWEOUARCSOY-OZNHZTKRSA-N 2 1 382.346 2.974 20 0 GFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1ccccc1I ZINC000934827328 664925062 /nfs/dbraw/zinc/92/50/62/664925062.db2.gz RGTDNMVPNOIGQQ-HNNXBMFYSA-N 2 1 385.249 2.509 20 0 GFADMP [NH3+]C1CCN(c2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164626080 719088168 /nfs/dbraw/zinc/08/81/68/719088168.db2.gz IDLZFBSZAIIQBH-FPOVZHCZSA-N 2 1 392.551 2.505 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2cc(OCc3ccccc3)cnn2)c2c1CC[NH2+]C2 ZINC001164683466 719627554 /nfs/dbraw/zinc/62/75/54/719627554.db2.gz SNTCBNIZXBCDGK-UHFFFAOYSA-N 2 1 392.507 2.727 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2cc(OCc3ccccc3)cnn2)c2c1CC[NH2+]C2 ZINC001164683466 719627558 /nfs/dbraw/zinc/62/75/58/719627558.db2.gz SNTCBNIZXBCDGK-UHFFFAOYSA-N 2 1 392.507 2.727 20 0 GFADMP Cc1nc(C[N@H+]2CCCC23CCN(c2ncc4c(n2)CC[NH2+]C4)CC3)cs1 ZINC001164693248 719805418 /nfs/dbraw/zinc/80/54/18/719805418.db2.gz RBMKQDGAVFXGMR-UHFFFAOYSA-N 2 1 384.553 2.522 20 0 GFADMP Cc1[nH+]c(N2CC[C@]3(C2)CCC[C@H](CN2CC[NH+](C)CC2)O3)cc2[nH]ccc21 ZINC001164889541 721429042 /nfs/dbraw/zinc/42/90/42/721429042.db2.gz BMGYMCLOYRVAKP-GCJKJVERSA-N 2 1 383.540 2.637 20 0 GFADMP Cc1nc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018727 721802820 /nfs/dbraw/zinc/80/28/20/721802820.db2.gz CEPKNSYIUBOJLK-YSIASYRMSA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165018727 721802821 /nfs/dbraw/zinc/80/28/21/721802821.db2.gz CEPKNSYIUBOJLK-YSIASYRMSA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@@H]([N@@H+](C)Cc4ccccn4)[C@H]3C2)[nH+]1 ZINC001165018727 721802822 /nfs/dbraw/zinc/80/28/22/721802822.db2.gz CEPKNSYIUBOJLK-YSIASYRMSA-N 2 1 380.540 2.983 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cncc(Br)c1 ZINC000126877082 551333779 /nfs/dbraw/zinc/33/37/79/551333779.db2.gz UTIKQLMVPMPSMI-INIZCTEOSA-N 2 1 398.349 2.724 20 0 GFADMP C[C@H](COc1ccc2cc(Br)ccc2c1)NC[C@H](O)C[NH+](C)C ZINC000154270312 551470780 /nfs/dbraw/zinc/47/07/80/551470780.db2.gz UCHQHMKTQWSRAT-DYVFJYSZSA-N 2 1 381.314 2.882 20 0 GFADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000155268802 551495864 /nfs/dbraw/zinc/49/58/64/551495864.db2.gz MDEHSBDXPXDUHS-QGZVFWFLSA-N 2 1 379.595 2.920 20 0 GFADMP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000155268802 551495865 /nfs/dbraw/zinc/49/58/65/551495865.db2.gz MDEHSBDXPXDUHS-QGZVFWFLSA-N 2 1 379.595 2.920 20 0 GFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000163273532 551618290 /nfs/dbraw/zinc/61/82/90/551618290.db2.gz NIEQUMAPKIGEFJ-STQMWFEESA-N 2 1 376.469 2.684 20 0 GFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)C(F)F)c(OC)c2)C1 ZINC000163273532 551618293 /nfs/dbraw/zinc/61/82/93/551618293.db2.gz NIEQUMAPKIGEFJ-STQMWFEESA-N 2 1 376.469 2.684 20 0 GFADMP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000261807555 553159689 /nfs/dbraw/zinc/15/96/89/553159689.db2.gz NBBCVWOPZMSZII-CRAIPNDOSA-N 2 1 394.357 2.905 20 0 GFADMP C[C@H](NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000261864224 553160928 /nfs/dbraw/zinc/16/09/28/553160928.db2.gz KQMOYLCJGMTQCA-GUDXXQAFSA-N 2 1 380.330 2.686 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccc(Br)cc1 ZINC000261864224 553160930 /nfs/dbraw/zinc/16/09/30/553160930.db2.gz KQMOYLCJGMTQCA-GUDXXQAFSA-N 2 1 380.330 2.686 20 0 GFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261871587 553161828 /nfs/dbraw/zinc/16/18/28/553161828.db2.gz XWYQJOLDYWKNCN-KBXCAEBGSA-N 2 1 382.346 2.717 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261970162 553163448 /nfs/dbraw/zinc/16/34/48/553163448.db2.gz YWQXSCBPFVYYCR-RHSMWYFYSA-N 2 1 380.330 2.529 20 0 GFADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1I ZINC000423091750 563354442 /nfs/dbraw/zinc/35/44/42/563354442.db2.gz YPRBQYOXIDGXIN-WFBYXXMGSA-N 2 1 394.684 2.787 20 0 GFADMP COc1ccc(Br)cc1C[C@@H](CO)C[NH2+][C@H](C)[C@@H]1CCCC[NH2+]1 ZINC000423161692 563357918 /nfs/dbraw/zinc/35/79/18/563357918.db2.gz OCKQVIVGUOYHPS-CPUCHLNUSA-N 2 1 385.346 2.729 20 0 GFADMP Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000321808680 563448449 /nfs/dbraw/zinc/44/84/49/563448449.db2.gz ZWIATKYUSXGLCQ-UHFFFAOYSA-N 2 1 384.318 2.526 20 0 GFADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537940 563518494 /nfs/dbraw/zinc/51/84/94/563518494.db2.gz IAUPZEQPAZMJCG-HZPDHXFCSA-N 2 1 389.309 2.744 20 0 GFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000429537940 563518495 /nfs/dbraw/zinc/51/84/95/563518495.db2.gz IAUPZEQPAZMJCG-HZPDHXFCSA-N 2 1 389.309 2.744 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559952 563545341 /nfs/dbraw/zinc/54/53/41/563545341.db2.gz UVAKNZFLNZNAGW-LZWOXQAQSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430559952 563545344 /nfs/dbraw/zinc/54/53/44/563545344.db2.gz UVAKNZFLNZNAGW-LZWOXQAQSA-N 2 1 382.346 2.855 20 0 GFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCO1 ZINC000432368222 563582670 /nfs/dbraw/zinc/58/26/70/563582670.db2.gz OQRZMYOZKGVPPN-AWEZNQCLSA-N 2 1 399.329 2.811 20 0 GFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCO1 ZINC000432368222 563582671 /nfs/dbraw/zinc/58/26/71/563582671.db2.gz OQRZMYOZKGVPPN-AWEZNQCLSA-N 2 1 399.329 2.811 20 0 GFADMP C[N@@H+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000439444013 563725739 /nfs/dbraw/zinc/72/57/39/563725739.db2.gz BGSHVEAVEUXADS-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000439444013 563725740 /nfs/dbraw/zinc/72/57/40/563725740.db2.gz BGSHVEAVEUXADS-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP C[NH+](C[C@@H](O)COc1cc(F)cc(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000439444013 563725742 /nfs/dbraw/zinc/72/57/42/563725742.db2.gz BGSHVEAVEUXADS-XJKSGUPXSA-N 2 1 389.309 2.602 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCc3sccc3[C@H]2c2cccs2)C1 ZINC000414676054 563750024 /nfs/dbraw/zinc/75/00/24/563750024.db2.gz HCZFKPBIFZINBX-LIRRHRJNSA-N 2 1 375.563 2.954 20 0 GFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556121 563882927 /nfs/dbraw/zinc/88/29/27/563882927.db2.gz FBSXEROLLYAINV-JMSVASOKSA-N 2 1 378.460 2.927 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000447556121 563882930 /nfs/dbraw/zinc/88/29/30/563882930.db2.gz FBSXEROLLYAINV-JMSVASOKSA-N 2 1 378.460 2.927 20 0 GFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C(=O)C[NH+](C)[C@H]3CCSC3)C2)s1 ZINC000563266339 564183437 /nfs/dbraw/zinc/18/34/37/564183437.db2.gz NBUFXFWEKKCYNI-IRXDYDNUSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@H+](C)[C@H]3CCSC3)C2)s1 ZINC000563266339 564183441 /nfs/dbraw/zinc/18/34/41/564183441.db2.gz NBUFXFWEKKCYNI-IRXDYDNUSA-N 2 1 381.611 2.774 20 0 GFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C(=O)C[N@@H+](C)[C@H]3CCSC3)C2)s1 ZINC000563266339 564183445 /nfs/dbraw/zinc/18/34/45/564183445.db2.gz NBUFXFWEKKCYNI-IRXDYDNUSA-N 2 1 381.611 2.774 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(Br)c1 ZINC000505791126 564190116 /nfs/dbraw/zinc/19/01/16/564190116.db2.gz VJLUFSLQWNMLLN-AWEZNQCLSA-N 2 1 388.375 2.999 20 0 GFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)Cc2cc(Br)ccc2OC)[C@H](C)C1 ZINC000449680712 564195352 /nfs/dbraw/zinc/19/53/52/564195352.db2.gz KMZYWNODBHKQHV-VKJFTORMSA-N 2 1 399.373 2.929 20 0 GFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccc(F)c(Br)c1 ZINC000449683851 564195629 /nfs/dbraw/zinc/19/56/29/564195629.db2.gz OCSNFWJKCYRKCQ-ARFHVFGLSA-N 2 1 385.321 2.956 20 0 GFADMP CC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@@H+](CC(C)C)CCO1)c1ccc(Cl)s1 ZINC000542555915 564318045 /nfs/dbraw/zinc/31/80/45/564318045.db2.gz YHCACVJNOAHVKL-LSDHHAIUSA-N 2 1 387.977 2.915 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cc(F)cc(Br)c2)CC12CCOCC2 ZINC000566245534 564319548 /nfs/dbraw/zinc/31/95/48/564319548.db2.gz UCPKVBGTHYTNLJ-CYBMUJFWSA-N 2 1 387.293 2.654 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045885 564354834 /nfs/dbraw/zinc/35/48/34/564354834.db2.gz JCLYSOFSTXUKTN-IOASZLSFSA-N 2 1 388.293 2.988 20 0 GFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)Cc2cccc(Br)c2)CC1 ZINC000511658772 564379365 /nfs/dbraw/zinc/37/93/65/564379365.db2.gz LUCVKPOVCWQDFE-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)Cc2cccc(Br)c2)CC1 ZINC000511658772 564379369 /nfs/dbraw/zinc/37/93/69/564379369.db2.gz LUCVKPOVCWQDFE-UHFFFAOYSA-N 2 1 382.346 2.870 20 0 GFADMP COc1sc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Br ZINC000567794753 564389180 /nfs/dbraw/zinc/38/91/80/564389180.db2.gz JJBGQYPKGJMBPE-UHFFFAOYSA-N 2 1 376.364 2.589 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567891289 564394417 /nfs/dbraw/zinc/39/44/17/564394417.db2.gz XKJYFSFSDPLSAE-CQDKDKBSSA-N 2 1 386.359 2.528 20 0 GFADMP CN(Cc1cc(Br)cs1)C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000567891289 564394422 /nfs/dbraw/zinc/39/44/22/564394422.db2.gz XKJYFSFSDPLSAE-CQDKDKBSSA-N 2 1 386.359 2.528 20 0 GFADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000513879888 564441065 /nfs/dbraw/zinc/44/10/65/564441065.db2.gz MSZAWYCGMOFINU-UHFFFAOYSA-N 2 1 382.346 2.824 20 0 GFADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)Cc1cccc(Br)c1 ZINC000513879888 564441067 /nfs/dbraw/zinc/44/10/67/564441067.db2.gz MSZAWYCGMOFINU-UHFFFAOYSA-N 2 1 382.346 2.824 20 0 GFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000571681750 564561732 /nfs/dbraw/zinc/56/17/32/564561732.db2.gz DDRJEKGUGZZOJI-UAGQMJEPSA-N 2 1 394.357 2.948 20 0 GFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000572274735 564587906 /nfs/dbraw/zinc/58/79/06/564587906.db2.gz LYNOJJDUEZNLJX-XJKSGUPXSA-N 2 1 382.302 2.620 20 0 GFADMP C[N@@H+](CCCC[NH2+]CCS(=O)(=O)c1cccc(Br)c1)C1CC1 ZINC000576221049 564708515 /nfs/dbraw/zinc/70/85/15/564708515.db2.gz SGWBPZYLCZRHKB-UHFFFAOYSA-N 2 1 389.359 2.687 20 0 GFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1cc(F)cc(Br)c1 ZINC000459685732 564756458 /nfs/dbraw/zinc/75/64/58/564756458.db2.gz BEYLLRRBRKRASV-JCGIZDLHSA-N 2 1 385.321 2.956 20 0 GFADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000493977361 564815331 /nfs/dbraw/zinc/81/53/31/564815331.db2.gz NMHOGJAMTCOUSC-WBVHZDCISA-N 2 1 394.357 2.922 20 0 GFADMP CC(C)[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000556911711 564845645 /nfs/dbraw/zinc/84/56/45/564845645.db2.gz NLJSUPIJBIEIAP-UHFFFAOYSA-N 2 1 394.368 2.734 20 0 GFADMP Brc1cnc2c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cnn2c1 ZINC000639336267 565241306 /nfs/dbraw/zinc/24/13/06/565241306.db2.gz AUAYGESIUKJWOP-AWEZNQCLSA-N 2 1 378.318 2.703 20 0 GFADMP Brc1cnc2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cnn2c1 ZINC000639336267 565241309 /nfs/dbraw/zinc/24/13/09/565241309.db2.gz AUAYGESIUKJWOP-AWEZNQCLSA-N 2 1 378.318 2.703 20 0 GFADMP C[C@@H](c1ccc(Br)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641042190 565343558 /nfs/dbraw/zinc/34/35/58/565343558.db2.gz AHWKIISKSWMMLI-ZDUSSCGKSA-N 2 1 378.318 2.616 20 0 GFADMP [NH3+]C1CC[NH+](CCc2cn(CCOc3cc(Cl)cc(Cl)c3)nn2)CC1 ZINC000641062013 565344375 /nfs/dbraw/zinc/34/43/75/565344375.db2.gz KEDFNKMCNDYCPE-UHFFFAOYSA-N 2 1 384.311 2.630 20 0 GFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662386858 565364860 /nfs/dbraw/zinc/36/48/60/565364860.db2.gz OCHTZOSQNIWSJQ-CPUCHLNUSA-N 2 1 382.346 2.933 20 0 GFADMP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662487067 565371788 /nfs/dbraw/zinc/37/17/88/565371788.db2.gz SALCVWFGSUKDPV-PBHICJAKSA-N 2 1 380.330 2.639 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662487067 565371793 /nfs/dbraw/zinc/37/17/93/565371793.db2.gz SALCVWFGSUKDPV-PBHICJAKSA-N 2 1 380.330 2.639 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1c(Cl)cccc1Cl ZINC000663364502 565414717 /nfs/dbraw/zinc/41/47/17/565414717.db2.gz ROVBIJDRVPYSBG-HUUCEWRRSA-N 2 1 389.323 2.576 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(Br)c1F ZINC000667917079 565612796 /nfs/dbraw/zinc/61/27/96/565612796.db2.gz XGMGGFUQDIQSFQ-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)Nc1cccc(Br)c1F ZINC000667917079 565612802 /nfs/dbraw/zinc/61/28/02/565612802.db2.gz XGMGGFUQDIQSFQ-LBPRGKRZSA-N 2 1 389.313 2.982 20 0 GFADMP Cc1c(Br)cncc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162413 565629771 /nfs/dbraw/zinc/62/97/71/565629771.db2.gz ZFOFSCNRXLKNBT-QGZVFWFLSA-N 2 1 381.362 2.753 20 0 GFADMP Cc1c(Br)cncc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668162413 565629776 /nfs/dbraw/zinc/62/97/76/565629776.db2.gz ZFOFSCNRXLKNBT-QGZVFWFLSA-N 2 1 381.362 2.753 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+]C2(c3ccccc3Br)CCC2)CC1 ZINC000649646870 565771807 /nfs/dbraw/zinc/77/18/07/565771807.db2.gz UTNJOWUBGQPTQG-UHFFFAOYSA-N 2 1 380.330 2.582 20 0 GFADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Br)ccc1OCc1ccccn1 ZINC000629667127 565866137 /nfs/dbraw/zinc/86/61/37/565866137.db2.gz USEAHQITVJBDQB-UHFFFAOYSA-N 2 1 394.313 2.830 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)C1 ZINC000652346045 565922689 /nfs/dbraw/zinc/92/26/89/565922689.db2.gz RWVUMEHJHULPSR-FRFSOERESA-N 2 1 396.329 2.606 20 0 GFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)c1 ZINC000631063277 565937035 /nfs/dbraw/zinc/93/70/35/565937035.db2.gz AAWDNNCLUQKTLS-UHFFFAOYSA-N 2 1 381.929 2.729 20 0 GFADMP C[N@@H+]1CCN(CC[NH2+]Cc2ncc(Br)cc2Cl)CC1(C)C ZINC000631125827 565942326 /nfs/dbraw/zinc/94/23/26/565942326.db2.gz HFDMIPHIZWIROM-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2ncc(Br)cc2Cl)CC1(C)C ZINC000631125827 565942332 /nfs/dbraw/zinc/94/23/32/565942332.db2.gz HFDMIPHIZWIROM-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(I)cc1 ZINC000610803919 566099777 /nfs/dbraw/zinc/09/97/77/566099777.db2.gz DWFXZQNDJVLDSP-JKSUJKDBSA-N 2 1 388.293 2.789 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269859 598870972 /nfs/dbraw/zinc/87/09/72/598870972.db2.gz YITZWCYYIRQVAS-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269859 598870974 /nfs/dbraw/zinc/87/09/74/598870974.db2.gz YITZWCYYIRQVAS-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269859 598870976 /nfs/dbraw/zinc/87/09/76/598870976.db2.gz YITZWCYYIRQVAS-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736269859 598870977 /nfs/dbraw/zinc/87/09/77/598870977.db2.gz YITZWCYYIRQVAS-MSOLQXFVSA-N 2 1 384.528 2.832 20 0 GFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cccc(OCc3cccc(-c4nn[nH]n4)c3)c2)C1 ZINC000736859256 598511229 /nfs/dbraw/zinc/51/12/29/598511229.db2.gz YBKCSNCZGUUFRU-IBGZPJMESA-N 2 1 392.507 2.877 20 0 GFADMP c1ccc(-c2nn[nH]n2)c(OCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000738426735 598717955 /nfs/dbraw/zinc/71/79/55/598717955.db2.gz UGWAUGGERQYHJU-SFHVURJKSA-N 2 1 384.528 2.834 20 0 GFADMP c1ccc(-c2nn[nH]n2)c(OCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000738426735 598717957 /nfs/dbraw/zinc/71/79/57/598717957.db2.gz UGWAUGGERQYHJU-SFHVURJKSA-N 2 1 384.528 2.834 20 0 GFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000822374173 606895735 /nfs/dbraw/zinc/89/57/35/606895735.db2.gz KEZOCRKJZJTECS-KRWDZBQOSA-N 2 1 393.495 2.773 20 0 GFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCOc3cccc(-c4nn[nH]n4)c3)C2)c1 ZINC000822374173 606895737 /nfs/dbraw/zinc/89/57/37/606895737.db2.gz KEZOCRKJZJTECS-KRWDZBQOSA-N 2 1 393.495 2.773 20 0 GFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824625448 609407860 /nfs/dbraw/zinc/40/78/60/609407860.db2.gz IHPLJSWPZXKOKD-IERDGZPVSA-N 2 1 392.507 2.674 20 0 GFADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000826201790 609444534 /nfs/dbraw/zinc/44/45/34/609444534.db2.gz DNLAMTNLWVDORQ-APWZRJJASA-N 2 1 392.507 2.876 20 0 GFADMP Cc1c(Br)nccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000823565108 660374943 /nfs/dbraw/zinc/37/49/43/660374943.db2.gz LVZMUPVAVTVGEB-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP Cc1c(Br)nccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000823565108 660374945 /nfs/dbraw/zinc/37/49/45/660374945.db2.gz LVZMUPVAVTVGEB-LBPRGKRZSA-N 2 1 386.338 2.546 20 0 GFADMP COc1c(Br)cccc1C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000274734972 655199364 /nfs/dbraw/zinc/19/93/64/655199364.db2.gz BNDYBSMLVMUECE-IRXDYDNUSA-N 2 1 383.330 2.925 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3cncc(Br)c3)CC2)CC1 ZINC000576528395 655448615 /nfs/dbraw/zinc/44/86/15/655448615.db2.gz IVNHLUHOHZRDSF-UHFFFAOYSA-N 2 1 395.345 2.979 20 0 GFADMP O[C@@H](C[NH2+]C1(c2cccc(Br)c2)CCOCC1)C[NH+]1CCCC1 ZINC000747682222 655782022 /nfs/dbraw/zinc/78/20/22/655782022.db2.gz VMKQHRCGDWVSJK-KRWDZBQOSA-N 2 1 383.330 2.501 20 0 GFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cn3c4ccc(Br)cc4oc3=O)C2)CC1 ZINC000755780986 655888927 /nfs/dbraw/zinc/88/89/27/655888927.db2.gz RHXAFCWVKIWCGD-AWEZNQCLSA-N 2 1 394.313 2.978 20 0 GFADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2ncc(Br)cc2Cl)C1 ZINC000853685941 661897175 /nfs/dbraw/zinc/89/71/75/661897175.db2.gz REGIXNQAIKIUQN-CYBMUJFWSA-N 2 1 391.697 2.605 20 0 GFADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2ncc(Br)cc2Cl)C1 ZINC000853685941 661897176 /nfs/dbraw/zinc/89/71/76/661897176.db2.gz REGIXNQAIKIUQN-CYBMUJFWSA-N 2 1 391.697 2.605 20 0 GFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCC[C@@H]3CC3(Cl)Cl)CC2)CC1 ZINC000857384699 662078407 /nfs/dbraw/zinc/07/84/07/662078407.db2.gz WRDNMAUCBCFFBB-OAHLLOKOSA-N 2 1 376.372 2.883 20 0 GFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862250869 662277571 /nfs/dbraw/zinc/27/75/71/662277571.db2.gz WAKPIQJJAXPXDF-UHFFFAOYSA-N 2 1 387.366 2.753 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cn(C)nc2Br)CC1 ZINC000862250869 662277576 /nfs/dbraw/zinc/27/75/76/662277576.db2.gz WAKPIQJJAXPXDF-UHFFFAOYSA-N 2 1 387.366 2.753 20 0 GFADMP COc1ncc(Br)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784738 662733804 /nfs/dbraw/zinc/73/38/04/662733804.db2.gz JTIBPPSIYXFYDF-FTNCPSPGSA-N 2 1 383.290 2.724 20 0 GFADMP COc1ncc(Br)cc1CO[NH+]=C(N)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000871784738 662733808 /nfs/dbraw/zinc/73/38/08/662733808.db2.gz JTIBPPSIYXFYDF-FTNCPSPGSA-N 2 1 383.290 2.724 20 0 GFADMP OC1CC[NH+](CCC[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872028699 662754134 /nfs/dbraw/zinc/75/41/34/662754134.db2.gz SAJZEHZLGOJRBY-VQIMIIECSA-N 2 1 397.357 2.963 20 0 GFADMP Brc1ccc([C@H]2C[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727910 663805265 /nfs/dbraw/zinc/80/52/65/663805265.db2.gz ZDJZUQDTEMHOIL-ZWKOTPCHSA-N 2 1 395.341 2.981 20 0 GFADMP Brc1ccc([C@H]2C[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCO2)cc1 ZINC000903727910 663805266 /nfs/dbraw/zinc/80/52/66/663805266.db2.gz ZDJZUQDTEMHOIL-ZWKOTPCHSA-N 2 1 395.341 2.981 20 0 GFADMP COc1ccc(Br)cc1[C@H]([NH3+])C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000911855080 664259042 /nfs/dbraw/zinc/25/90/42/664259042.db2.gz HBHSKXWBVPPCKD-DIFFPNOSSA-N 2 1 392.297 2.794 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\c2ccc(Br)o2)CC1 ZINC000919860791 664518839 /nfs/dbraw/zinc/51/88/39/664518839.db2.gz IDEMSWUHWWTHDR-HYXAFXHYSA-N 2 1 391.269 2.841 20 0 GFADMP CC(C)[C@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390040 664598446 /nfs/dbraw/zinc/59/84/46/664598446.db2.gz ZRLIXLYDEZEITB-BRSBDYLESA-N 2 1 383.330 2.724 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390044 664598518 /nfs/dbraw/zinc/59/85/18/664598518.db2.gz ZRLIXLYDEZEITB-ZJPYXAASSA-N 2 1 383.330 2.724 20 0 GFADMP COC(=O)c1cc(Br)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000923327539 664628327 /nfs/dbraw/zinc/62/83/27/664628327.db2.gz MZHMSZFGVHISJM-UHFFFAOYSA-N 2 1 397.313 2.820 20 0 GFADMP C[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)COc2ccc(Cl)cc2Br)C1 ZINC000923355230 664628910 /nfs/dbraw/zinc/62/89/10/664628910.db2.gz HZHAAJYEXVYYPN-WFASDCNBSA-N 2 1 377.710 2.513 20 0 GFADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000923371106 664629118 /nfs/dbraw/zinc/62/91/18/664629118.db2.gz OYPXZGKTSAKOJB-BHJGYWERSA-N 2 1 380.330 2.828 20 0 GFADMP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[NH2+]C23CCCC3)s1 ZINC000925490461 664672670 /nfs/dbraw/zinc/67/26/70/664672670.db2.gz NSXDVRDSYIESOC-MRXNPFEDSA-N 2 1 385.599 2.585 20 0 GFADMP O[C@H](CN1CCC([N@H+]2CCCOCC2)CC1)c1ccc(Br)cc1 ZINC000931285260 664790440 /nfs/dbraw/zinc/79/04/40/664790440.db2.gz KVBNQKHFHARQEA-GOSISDBHSA-N 2 1 383.330 2.669 20 0 GFADMP Clc1nc2c(c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n1)C[NH2+]CC2 ZINC001164626191 719052862 /nfs/dbraw/zinc/05/28/62/719052862.db2.gz QYBNYAMTTRZHQI-VQIMIIECSA-N 2 1 383.927 2.877 20 0 GFADMP Clc1nc2c(c(N3CCC[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n1)CC[NH2+]C2 ZINC001164628638 719061939 /nfs/dbraw/zinc/06/19/39/719061939.db2.gz SZZWFHIJQHDZCB-APWZRJJASA-N 2 1 383.927 2.877 20 0 GFADMP C[NH+]1CCN(c2cccc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@@H]43)n2)CC1 ZINC001164629943 719087199 /nfs/dbraw/zinc/08/71/99/719087199.db2.gz ULTXLFMMDSFHAK-VXKWHMMOSA-N 2 1 391.563 2.934 20 0 GFADMP Cc1nc2c(nc(Cl)nc2-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)s1 ZINC001164683294 719626187 /nfs/dbraw/zinc/62/61/87/719626187.db2.gz RXQSNUQYIYUPEP-UHFFFAOYSA-N 2 1 391.932 2.720 20 0 GFADMP Cc1nc2c(nc(Cl)nc2-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)s1 ZINC001164683294 719626204 /nfs/dbraw/zinc/62/62/04/719626204.db2.gz RXQSNUQYIYUPEP-UHFFFAOYSA-N 2 1 391.932 2.720 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773890 721184141 /nfs/dbraw/zinc/18/41/41/721184141.db2.gz XXPVLMVXNIQODL-MSOLQXFVSA-N 2 1 379.512 2.704 20 0 GFADMP CC(C)n1ccc2c1nc[nH+]c2N1C[C@@H]2C[N@H+](Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164773890 721184151 /nfs/dbraw/zinc/18/41/51/721184151.db2.gz XXPVLMVXNIQODL-MSOLQXFVSA-N 2 1 379.512 2.704 20 0 GFADMP CCOC(=O)c1c[nH]c2cc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH+]cc21 ZINC001164781271 721423310 /nfs/dbraw/zinc/42/33/10/721423310.db2.gz DAKGAKGMAOVWON-KBPBESRZSA-N 2 1 397.504 2.764 20 0 GFADMP C[N@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2ccc(Br)cc2)CC1 ZINC000126887416 551333829 /nfs/dbraw/zinc/33/38/29/551333829.db2.gz PXCLGYMTXDBUEG-KRWDZBQOSA-N 2 1 380.330 2.624 20 0 GFADMP C[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000126887416 551333834 /nfs/dbraw/zinc/33/38/34/551333834.db2.gz PXCLGYMTXDBUEG-KRWDZBQOSA-N 2 1 380.330 2.624 20 0 GFADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(Br)cn2)CC1 ZINC000162807977 551613025 /nfs/dbraw/zinc/61/30/25/551613025.db2.gz IBTTUULMFCXFNQ-UHFFFAOYSA-N 2 1 378.318 2.951 20 0 GFADMP O=C(C[NH2+]CC1CC1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856499 552177034 /nfs/dbraw/zinc/17/70/34/552177034.db2.gz VGIXFSVDFSCBAE-UHFFFAOYSA-N 2 1 380.330 2.529 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000178856342 552177214 /nfs/dbraw/zinc/17/72/14/552177214.db2.gz LKXWUKLGDAQDNX-DLBZAZTESA-N 2 1 380.330 2.657 20 0 GFADMP C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182958712 552297393 /nfs/dbraw/zinc/29/73/93/552297393.db2.gz ATGRVIVEZINVOJ-CQSZACIVSA-N 2 1 387.355 2.890 20 0 GFADMP Brc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(N2CCOCC2)c1 ZINC000188694682 552452712 /nfs/dbraw/zinc/45/27/12/552452712.db2.gz IDAQNIGCUAYOQC-OAHLLOKOSA-N 2 1 394.357 2.860 20 0 GFADMP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(Br)o2)c1 ZINC000190940589 552514079 /nfs/dbraw/zinc/51/40/79/552514079.db2.gz ZDIBLCGSWCEUTA-UHFFFAOYSA-N 2 1 380.286 2.623 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246128385 553102841 /nfs/dbraw/zinc/10/28/41/553102841.db2.gz BGNCHRNWXNPYKX-DOTOQJQBSA-N 2 1 383.330 2.607 20 0 GFADMP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246128385 553102842 /nfs/dbraw/zinc/10/28/42/553102842.db2.gz BGNCHRNWXNPYKX-DOTOQJQBSA-N 2 1 383.330 2.607 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261665679 553155779 /nfs/dbraw/zinc/15/57/79/553155779.db2.gz LCWDXDOFNMDYEW-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261665679 553155782 /nfs/dbraw/zinc/15/57/82/553155782.db2.gz LCWDXDOFNMDYEW-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261665689 553156099 /nfs/dbraw/zinc/15/60/99/553156099.db2.gz LCWDXDOFNMDYEW-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000261665689 553156101 /nfs/dbraw/zinc/15/61/01/553156101.db2.gz LCWDXDOFNMDYEW-SUMWQHHRSA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000262301058 553168599 /nfs/dbraw/zinc/16/85/99/553168599.db2.gz OPMCPKWVEOZRCH-SWLSCSKDSA-N 2 1 386.359 2.591 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1)[C@H]1CCC[NH2+]1 ZINC000262301058 553168601 /nfs/dbraw/zinc/16/86/01/553168601.db2.gz OPMCPKWVEOZRCH-SWLSCSKDSA-N 2 1 386.359 2.591 20 0 GFADMP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(Br)cc1 ZINC000277711337 563222342 /nfs/dbraw/zinc/22/23/42/563222342.db2.gz MRMVYIZIRQWGMC-CQSZACIVSA-N 2 1 390.329 2.842 20 0 GFADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Br)cc1F ZINC000420365285 563263084 /nfs/dbraw/zinc/26/30/84/563263084.db2.gz IZKVZKCECZSYOE-KRWDZBQOSA-N 2 1 384.293 2.992 20 0 GFADMP O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3cc[nH+]c4ccc(Cl)cc43)CC2)C1 ZINC000373797063 563351102 /nfs/dbraw/zinc/35/11/02/563351102.db2.gz ZAKQHGSWNIWIEI-OAHLLOKOSA-N 2 1 379.913 2.634 20 0 GFADMP COC(=O)CC[N@@H+](CCc1cncn1C)Cc1cccc(Br)c1 ZINC000298415877 563354894 /nfs/dbraw/zinc/35/48/94/563354894.db2.gz MJGRLSBSAFHQDD-UHFFFAOYSA-N 2 1 380.286 2.790 20 0 GFADMP COc1ccc(C[C@@H](CO)C[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1Br ZINC000423165765 563358069 /nfs/dbraw/zinc/35/80/69/563358069.db2.gz UVHDXTKIMWSKIM-YSVLISHTSA-N 2 1 385.346 2.729 20 0 GFADMP C[C@@H](N[C@@H]1CCC(=O)N[C@H]1c1cncn1C)c1ccccc1Br ZINC000375519566 563408418 /nfs/dbraw/zinc/40/84/18/563408418.db2.gz PEUCDTJIAVPGOW-JDSLSITLSA-N 2 1 377.286 2.853 20 0 GFADMP COc1cc2[nH+]ccc(N3CC[N@@H+](CCO)[C@H](C)C3)c2cc1Br ZINC000425243786 563414272 /nfs/dbraw/zinc/41/42/72/563414272.db2.gz QTIQKFKKCZUMNX-GFCCVEGCSA-N 2 1 380.286 2.509 20 0 GFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)Cc1ccc(Br)cc1 ZINC000428534991 563494765 /nfs/dbraw/zinc/49/47/65/563494765.db2.gz JDGGSCXGRYJVSO-HNNXBMFYSA-N 2 1 378.314 2.851 20 0 GFADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(Br)cc2F)CC1 ZINC000411733604 563631803 /nfs/dbraw/zinc/63/18/03/563631803.db2.gz WAGZDZASHXKFJH-LBPRGKRZSA-N 2 1 386.309 2.839 20 0 GFADMP CC[N@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435622439 563655091 /nfs/dbraw/zinc/65/50/91/563655091.db2.gz DDTAVWHXSSUGHX-CQSZACIVSA-N 2 1 388.375 2.933 20 0 GFADMP CC[N@@H+](CC(=O)N(C)Cc1cc(Br)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435622439 563655094 /nfs/dbraw/zinc/65/50/94/563655094.db2.gz DDTAVWHXSSUGHX-CQSZACIVSA-N 2 1 388.375 2.933 20 0 GFADMP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000289715327 563684140 /nfs/dbraw/zinc/68/41/40/563684140.db2.gz FXVSCJCJGPZFGG-RDTXWAMCSA-N 2 1 394.357 2.918 20 0 GFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@@H+]1C ZINC000439438594 563724697 /nfs/dbraw/zinc/72/46/97/563724697.db2.gz KNCBMCXFJBNYQJ-WQVCFCJDSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[N@H+]1C ZINC000439438594 563724699 /nfs/dbraw/zinc/72/46/99/563724699.db2.gz KNCBMCXFJBNYQJ-WQVCFCJDSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438594 563724703 /nfs/dbraw/zinc/72/47/03/563724703.db2.gz KNCBMCXFJBNYQJ-WQVCFCJDSA-N 2 1 389.309 2.742 20 0 GFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)COc2cc(F)cc(Br)c2)CC[NH+]1C ZINC000439438594 563724705 /nfs/dbraw/zinc/72/47/05/563724705.db2.gz KNCBMCXFJBNYQJ-WQVCFCJDSA-N 2 1 389.309 2.742 20 0 GFADMP CC(C)[N@H+](Cc1ccc(Br)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670644 563749101 /nfs/dbraw/zinc/74/91/01/563749101.db2.gz DKWDPTSVONVENP-MRXNPFEDSA-N 2 1 382.346 2.857 20 0 GFADMP CC[C@@H](Cc1ccccc1Br)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414743971 563752151 /nfs/dbraw/zinc/75/21/51/563752151.db2.gz NUNAJORTWBHELR-RDJZCZTQSA-N 2 1 396.373 2.899 20 0 GFADMP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414769832 563752595 /nfs/dbraw/zinc/75/25/95/563752595.db2.gz XJDZIZCJNWCWLZ-TZMCWYRMSA-N 2 1 388.375 2.837 20 0 GFADMP CCOC(=O)COc1c(Br)cc(C)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414930895 563754572 /nfs/dbraw/zinc/75/45/72/563754572.db2.gz BLCLRBZLTPPLGS-CJNGLKHVSA-N 2 1 399.329 2.787 20 0 GFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ncc(I)s1 ZINC000512061481 564390924 /nfs/dbraw/zinc/39/09/24/564390924.db2.gz YEQXELZXEBXECU-SECBINFHSA-N 2 1 376.267 2.679 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000453346459 564454003 /nfs/dbraw/zinc/45/40/03/564454003.db2.gz FKSCMFKNOSVHBN-LDDOYCOJSA-N 2 1 399.373 2.927 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)ccc2Br)CC1 ZINC000516625390 564507760 /nfs/dbraw/zinc/50/77/60/564507760.db2.gz SXAYUETXANOVPK-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP O=C(C[NH2+][C@@H](c1ccccc1)c1cccc(Br)c1)N1CC[NH2+]CC1 ZINC000570953508 564528779 /nfs/dbraw/zinc/52/87/79/564528779.db2.gz IEIMDPURVCPVQL-IBGZPJMESA-N 2 1 388.309 2.560 20 0 GFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703847 564587611 /nfs/dbraw/zinc/58/76/11/564587611.db2.gz LCJZPQJUVHIRJZ-MSOLQXFVSA-N 2 1 387.362 2.849 20 0 GFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@](C)(c1ccc(Br)cc1)C(C)C ZINC000519703847 564587616 /nfs/dbraw/zinc/58/76/16/564587616.db2.gz LCJZPQJUVHIRJZ-MSOLQXFVSA-N 2 1 387.362 2.849 20 0 GFADMP CCC[N@@H+](C)CC(=O)Nc1cc(Br)ccc1N1CC[NH+](C)C[C@@H]1C ZINC000456362631 564602799 /nfs/dbraw/zinc/60/27/99/564602799.db2.gz DPNSYLMGBLXEAF-AWEZNQCLSA-N 2 1 397.361 2.870 20 0 GFADMP CCC[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@H+](C)C[C@@H]1C ZINC000456362631 564602801 /nfs/dbraw/zinc/60/28/01/564602801.db2.gz DPNSYLMGBLXEAF-AWEZNQCLSA-N 2 1 397.361 2.870 20 0 GFADMP CCC[NH+](C)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@@H]1C ZINC000456362631 564602804 /nfs/dbraw/zinc/60/28/04/564602804.db2.gz DPNSYLMGBLXEAF-AWEZNQCLSA-N 2 1 397.361 2.870 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ccc(Br)cc2F)CC1 ZINC000521388326 564626735 /nfs/dbraw/zinc/62/67/35/564626735.db2.gz GOPKBTJHGFLHRI-UHFFFAOYSA-N 2 1 393.260 2.987 20 0 GFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(Br)cc1 ZINC000486066109 564637593 /nfs/dbraw/zinc/63/75/93/564637593.db2.gz UMRSVJGTJKPCCO-PBHICJAKSA-N 2 1 382.346 2.537 20 0 GFADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Br)c3c(c2)OCCCO3)CC1 ZINC000469865364 565030633 /nfs/dbraw/zinc/03/06/33/565030633.db2.gz YCHOGHCAMGGTLP-UHFFFAOYSA-N 2 1 399.329 2.940 20 0 GFADMP O=C([C@H]1CCC[N@H+](Cc2csc(-c3ccsc3)n2)C1)N1CC[NH2+]CC1 ZINC000469991049 565034925 /nfs/dbraw/zinc/03/49/25/565034925.db2.gz IFLJBLIPLMJEFD-AWEZNQCLSA-N 2 1 376.551 2.515 20 0 GFADMP O=C([C@H]1CCC[N@@H+](Cc2csc(-c3ccsc3)n2)C1)N1CC[NH2+]CC1 ZINC000469991049 565034927 /nfs/dbraw/zinc/03/49/27/565034927.db2.gz IFLJBLIPLMJEFD-AWEZNQCLSA-N 2 1 376.551 2.515 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001852 565034990 /nfs/dbraw/zinc/03/49/90/565034990.db2.gz DTKZTYGHOWEVLP-WBVHZDCISA-N 2 1 394.357 2.696 20 0 GFADMP C[N@H+](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)Cc1ccccc1 ZINC000659288399 565210329 /nfs/dbraw/zinc/21/03/29/565210329.db2.gz HHCXKCXEOUDZFK-UHFFFAOYSA-N 2 1 394.338 2.976 20 0 GFADMP C[N@@H+](CCNC(=O)c1sc2c(c1Br)C[NH2+]C2)Cc1ccccc1 ZINC000659288399 565210334 /nfs/dbraw/zinc/21/03/34/565210334.db2.gz HHCXKCXEOUDZFK-UHFFFAOYSA-N 2 1 394.338 2.976 20 0 GFADMP [NH3+]CCOc1ccc(NC(=O)c2sc3c(c2Br)C[NH2+]C3)cc1 ZINC000659301770 565211392 /nfs/dbraw/zinc/21/13/92/565211392.db2.gz CUYCXDRDWUSURM-UHFFFAOYSA-N 2 1 382.283 2.704 20 0 GFADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313018 565211766 /nfs/dbraw/zinc/21/17/66/565211766.db2.gz BZXWFSWXYLIBRQ-CMPLNLGQSA-N 2 1 384.343 2.670 20 0 GFADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000659313018 565211772 /nfs/dbraw/zinc/21/17/72/565211772.db2.gz BZXWFSWXYLIBRQ-CMPLNLGQSA-N 2 1 384.343 2.670 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617504059 565242853 /nfs/dbraw/zinc/24/28/53/565242853.db2.gz GMSZSRCHIDTONW-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc2cc(Br)ccc2[nH]1 ZINC000617504059 565242856 /nfs/dbraw/zinc/24/28/56/565242856.db2.gz GMSZSRCHIDTONW-ZDUSSCGKSA-N 2 1 395.345 2.932 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617507701 565244509 /nfs/dbraw/zinc/24/45/09/565244509.db2.gz GJDDTMVDMSVOBY-AWEZNQCLSA-N 2 1 399.377 2.517 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Br)cc(N(C)C)c1 ZINC000617507701 565244516 /nfs/dbraw/zinc/24/45/16/565244516.db2.gz GJDDTMVDMSVOBY-AWEZNQCLSA-N 2 1 399.377 2.517 20 0 GFADMP C[N@H+]1CC[C@@]2(C1)CCCN([C@@H]1CCN(c3cccc(Br)c3)C1=O)C2 ZINC000660661774 565288352 /nfs/dbraw/zinc/28/83/52/565288352.db2.gz GHLKXGMWBDSPAM-IEBWSBKVSA-N 2 1 392.341 2.972 20 0 GFADMP C[C@H](c1ccc(Br)cc1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000641042189 565343732 /nfs/dbraw/zinc/34/37/32/565343732.db2.gz AHWKIISKSWMMLI-CYBMUJFWSA-N 2 1 378.318 2.616 20 0 GFADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662405981 565365786 /nfs/dbraw/zinc/36/57/86/565365786.db2.gz BSHVEPIAWFZQTD-UMPJEAMMSA-N 2 1 382.346 2.932 20 0 GFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662405981 565365792 /nfs/dbraw/zinc/36/57/92/565365792.db2.gz BSHVEPIAWFZQTD-UMPJEAMMSA-N 2 1 382.346 2.932 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000662468565 565370078 /nfs/dbraw/zinc/37/00/78/565370078.db2.gz POUPOSRPUUWBMR-QGZVFWFLSA-N 2 1 380.330 2.926 20 0 GFADMP [NH3+][C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1Br ZINC000662468565 565370081 /nfs/dbraw/zinc/37/00/81/565370081.db2.gz POUPOSRPUUWBMR-QGZVFWFLSA-N 2 1 380.330 2.926 20 0 GFADMP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1Br ZINC000662477972 565371631 /nfs/dbraw/zinc/37/16/31/565371631.db2.gz KOHCBDPKHVJSRJ-YOEHRIQHSA-N 2 1 380.330 2.783 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662522118 565374675 /nfs/dbraw/zinc/37/46/75/565374675.db2.gz KDGMFVJTWMVLOT-RYUDHWBXSA-N 2 1 398.370 2.966 20 0 GFADMP O=C(c1sc2c(c1Br)C[NH2+]C2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662813469 565385934 /nfs/dbraw/zinc/38/59/34/565385934.db2.gz NENLKSHYZUOULM-PWSUYJOCSA-N 2 1 384.343 2.718 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1ccc(Cl)c(Cl)c1 ZINC000663363324 565414913 /nfs/dbraw/zinc/41/49/13/565414913.db2.gz JEXMQVGINZKUDN-CABCVRRESA-N 2 1 389.323 2.576 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000643083069 565421193 /nfs/dbraw/zinc/42/11/93/565421193.db2.gz QABIMLNVDYDQMR-GDBMZVCRSA-N 2 1 385.961 2.578 20 0 GFADMP C[N@H+]1CCCC[C@@H](CNCc2cn(-c3ccccc3Br)nn2)C1 ZINC000623656970 565523011 /nfs/dbraw/zinc/52/30/11/565523011.db2.gz GZQVPAUJDHJPME-AWEZNQCLSA-N 2 1 378.318 2.851 20 0 GFADMP CC[N@@H+](C)C[C@H]1CCN([C@@H]2CCc3cc(Br)ccc3NC2=O)C1 ZINC000625214701 565607033 /nfs/dbraw/zinc/60/70/33/565607033.db2.gz NFEUQKGYEKCEGK-CXAGYDPISA-N 2 1 380.330 2.976 20 0 GFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000647493249 565661896 /nfs/dbraw/zinc/66/18/96/565661896.db2.gz XDJKLTQIIBYHDE-UHFFFAOYSA-N 2 1 395.370 2.910 20 0 GFADMP COCCN(C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(Br)cc2)C[C@@H]1C ZINC000626040813 565672007 /nfs/dbraw/zinc/67/20/07/565672007.db2.gz MRWYDPBZAMKKNJ-ZVZYQTTQSA-N 2 1 385.346 2.566 20 0 GFADMP Cc1cc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279173 565782268 /nfs/dbraw/zinc/78/22/68/565782268.db2.gz YEFKCINRTRMGQS-QGZVFWFLSA-N 2 1 381.362 2.753 20 0 GFADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ncc1Br ZINC000628279173 565782274 /nfs/dbraw/zinc/78/22/74/565782274.db2.gz YEFKCINRTRMGQS-QGZVFWFLSA-N 2 1 381.362 2.753 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc4c(cc3Br)OCO4)C2)C1 ZINC000650705963 565833051 /nfs/dbraw/zinc/83/30/51/565833051.db2.gz BCUZVLDMNJRXBN-XNRPHZJLSA-N 2 1 397.313 2.896 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360525 565924034 /nfs/dbraw/zinc/92/40/34/565924034.db2.gz KDZKHVDMNMBWJJ-PVAVHDDUSA-N 2 1 396.329 2.748 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CC(=O)Nc2ccc(Br)cc2)C1 ZINC000652360525 565924039 /nfs/dbraw/zinc/92/40/39/565924039.db2.gz KDZKHVDMNMBWJJ-PVAVHDDUSA-N 2 1 396.329 2.748 20 0 GFADMP C[C@@H]([NH2+]Cc1c(Br)cnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631682942 565967187 /nfs/dbraw/zinc/96/71/87/565967187.db2.gz CVAXGQUWJFKPCM-CYBMUJFWSA-N 2 1 381.318 2.974 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736453578 598898477 /nfs/dbraw/zinc/89/84/77/598898477.db2.gz QQQMQMAYSIFTOJ-INIZCTEOSA-N 2 1 399.543 2.638 20 0 GFADMP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC3CC[NH+](CC4CC4)CC3)c2c1 ZINC000822195503 599485676 /nfs/dbraw/zinc/48/56/76/599485676.db2.gz UEWFOWSOKKGITE-UHFFFAOYSA-N 2 1 377.496 2.740 20 0 GFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)CC1 ZINC000735856945 599577088 /nfs/dbraw/zinc/57/70/88/599577088.db2.gz MLFSHQBPVJEKPU-UHFFFAOYSA-N 2 1 394.527 2.740 20 0 GFADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O ZINC000103500529 655073891 /nfs/dbraw/zinc/07/38/91/655073891.db2.gz PJOBDYJMYLJHEI-OAHLLOKOSA-N 2 1 384.307 2.899 20 0 GFADMP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000265203812 655479006 /nfs/dbraw/zinc/47/90/06/655479006.db2.gz KHCVTCSVHUTEAX-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000265203812 655479007 /nfs/dbraw/zinc/47/90/07/655479007.db2.gz KHCVTCSVHUTEAX-UHFFFAOYSA-N 2 1 398.345 2.556 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Br)cnc2Cl)CC1(C)C ZINC000842702758 661350139 /nfs/dbraw/zinc/35/01/39/661350139.db2.gz LQIMTJYFSBJXIB-UHFFFAOYSA-N 2 1 375.742 2.613 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900950 661448331 /nfs/dbraw/zinc/44/83/31/661448331.db2.gz BZRQBXIQIJGSDY-LZWOXQAQSA-N 2 1 393.329 2.815 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3nc4ccccn4c3Br)C2)C1 ZINC000844900950 661448334 /nfs/dbraw/zinc/44/83/34/661448334.db2.gz BZRQBXIQIJGSDY-LZWOXQAQSA-N 2 1 393.329 2.815 20 0 GFADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccnc3Br)cc2)C1 ZINC000865624232 662432510 /nfs/dbraw/zinc/43/25/10/662432510.db2.gz WSMYCBVBIZZPNH-QGZVFWFLSA-N 2 1 376.298 2.701 20 0 GFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccnc3Br)cc2)C1 ZINC000865624232 662432512 /nfs/dbraw/zinc/43/25/12/662432512.db2.gz WSMYCBVBIZZPNH-QGZVFWFLSA-N 2 1 376.298 2.701 20 0 GFADMP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749640 662440787 /nfs/dbraw/zinc/44/07/87/662440787.db2.gz USRLCVDEXVNXNK-LLVKDONJSA-N 2 1 377.432 2.790 20 0 GFADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(SC(F)(F)F)o3)C2)CC1 ZINC000865749640 662440791 /nfs/dbraw/zinc/44/07/91/662440791.db2.gz USRLCVDEXVNXNK-LLVKDONJSA-N 2 1 377.432 2.790 20 0 GFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Br)c2)C[C@@H]1C(F)(F)F ZINC000872152203 662757048 /nfs/dbraw/zinc/75/70/48/662757048.db2.gz OYYFSJPZKBUTPM-MFKMUULPSA-N 2 1 394.235 2.847 20 0 GFADMP c1csc([C@H]2CC[NH+](CCOCC[N@H+]3CC[C@H](c4nccs4)C3)C2)n1 ZINC000880319218 662957757 /nfs/dbraw/zinc/95/77/57/662957757.db2.gz CZVYHLNBGNNMOO-HOTGVXAUSA-N 2 1 378.567 2.895 20 0 GFADMP C[C@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)CCN1c1cc[nH+]cc1 ZINC000895556068 663518896 /nfs/dbraw/zinc/51/88/96/663518896.db2.gz GLTXCLHJYFPPRZ-ZDUSSCGKSA-N 2 1 387.285 2.598 20 0 GFADMP C[C@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)CCN1c1cc[nH+]cc1 ZINC000895556068 663518899 /nfs/dbraw/zinc/51/88/99/663518899.db2.gz GLTXCLHJYFPPRZ-ZDUSSCGKSA-N 2 1 387.285 2.598 20 0 GFADMP O=C(NCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC1)c1ccc(Br)cc1 ZINC000903074564 663772443 /nfs/dbraw/zinc/77/24/43/663772443.db2.gz NQIWJFIPNIAOMY-ZNXRZULTSA-N 2 1 392.341 2.926 20 0 GFADMP Cc1nn(C)c(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)c1Br ZINC000904459864 663835042 /nfs/dbraw/zinc/83/50/42/663835042.db2.gz ZBDKFKBJUQHYHS-UHFFFAOYSA-N 2 1 377.330 2.984 20 0 GFADMP C[NH+](C)C[C@@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159161 664326870 /nfs/dbraw/zinc/32/68/70/664326870.db2.gz KEQYYYPHLDVYJV-SJLPKXTDSA-N 2 1 388.339 2.559 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc(O)c1Br)C2 ZINC000922387842 664598164 /nfs/dbraw/zinc/59/81/64/664598164.db2.gz BHPRWQMJYPDEIK-WCZJQEMASA-N 2 1 383.330 2.724 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358612 664628915 /nfs/dbraw/zinc/62/89/15/664628915.db2.gz IVYNGEDLOKTYNW-OSAQELSMSA-N 2 1 389.721 2.526 20 0 GFADMP O[C@H](COc1ccc(Cl)cc1Br)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000923358612 664628916 /nfs/dbraw/zinc/62/89/16/664628916.db2.gz IVYNGEDLOKTYNW-OSAQELSMSA-N 2 1 389.721 2.526 20 0 GFADMP C[N@@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000923371107 664629061 /nfs/dbraw/zinc/62/90/61/664629061.db2.gz OYPXZGKTSAKOJB-WPENSMPRSA-N 2 1 380.330 2.828 20 0 GFADMP [NH3+]C[C@@H]([NH2+]C[C@H](O)COc1cc(F)cc(Br)c1)C1CCCCC1 ZINC000923371655 664629138 /nfs/dbraw/zinc/62/91/38/664629138.db2.gz CXBKMMZEDOJSSY-DOTOQJQBSA-N 2 1 389.309 2.825 20 0 GFADMP [NH3+]C1([C@H]2CN(c3ncnc4c3CC[N@H+](Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164628783 719118221 /nfs/dbraw/zinc/11/82/21/719118221.db2.gz OCDDALBOTKZSQN-MJGOQNOKSA-N 2 1 381.499 2.548 20 0 GFADMP [NH3+]C1([C@H]2CN(c3ncnc4c3CC[N@@H+](Cc3ccccc3)C4)C[C@H]2CF)CC1 ZINC001164628783 719118228 /nfs/dbraw/zinc/11/82/28/719118228.db2.gz OCDDALBOTKZSQN-MJGOQNOKSA-N 2 1 381.499 2.548 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)n1 ZINC001164673186 719443172 /nfs/dbraw/zinc/44/31/72/719443172.db2.gz STRVFGMHRVVJBD-CVEARBPZSA-N 2 1 389.569 2.669 20 0 GFADMP CC[NH+](CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)n1 ZINC001164673186 719443177 /nfs/dbraw/zinc/44/31/77/719443177.db2.gz STRVFGMHRVVJBD-CVEARBPZSA-N 2 1 389.569 2.669 20 0 GFADMP CC(C)[N@H+](C)Cc1nn(-c2nc(Cl)nc3c2COC3(C)C)c2c1CC[NH2+]C2 ZINC001164683322 719614398 /nfs/dbraw/zinc/61/43/98/719614398.db2.gz IDEZRERROKQIGF-UHFFFAOYSA-N 2 1 390.919 2.567 20 0 GFADMP CC(C)[N@@H+](C)Cc1nn(-c2nc(Cl)nc3c2COC3(C)C)c2c1CC[NH2+]C2 ZINC001164683322 719614405 /nfs/dbraw/zinc/61/44/05/719614405.db2.gz IDEZRERROKQIGF-UHFFFAOYSA-N 2 1 390.919 2.567 20 0 GFADMP Cc1cc(-n2nc(C[N@@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccncc2)n1 ZINC001164679446 719636910 /nfs/dbraw/zinc/63/69/10/719636910.db2.gz AQPLFMMGKFRJIT-UHFFFAOYSA-N 2 1 377.496 2.519 20 0 GFADMP Cc1cc(-n2nc(C[N@H+](C)C(C)C)c3c2C[NH2+]CC3)nc(-c2ccncc2)n1 ZINC001164679446 719636919 /nfs/dbraw/zinc/63/69/19/719636919.db2.gz AQPLFMMGKFRJIT-UHFFFAOYSA-N 2 1 377.496 2.519 20 0 GFADMP COC(=O)c1cccc2nc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc21 ZINC001164680567 719647977 /nfs/dbraw/zinc/64/79/77/719647977.db2.gz WHOLAIGLLIVFQG-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC(=O)c1cccc2nc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)ccc21 ZINC001164680567 719647982 /nfs/dbraw/zinc/64/79/82/719647982.db2.gz WHOLAIGLLIVFQG-UHFFFAOYSA-N 2 1 393.491 2.693 20 0 GFADMP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1ccc(C[NH+](C)C3CC3)cn1)C2 ZINC001164817511 720180083 /nfs/dbraw/zinc/18/00/83/720180083.db2.gz PQOQBJAGGSKSDO-NFBKMPQASA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc(C[N@H+](C)C3CC3)cn1)C2 ZINC001164817511 720180085 /nfs/dbraw/zinc/18/00/85/720180085.db2.gz PQOQBJAGGSKSDO-NFBKMPQASA-N 2 1 384.568 2.861 20 0 GFADMP COC[C@H]1C[NH+](CC2CC2)C[C@@]12CCN(c1ccc(C[N@@H+](C)C3CC3)cn1)C2 ZINC001164817511 720180090 /nfs/dbraw/zinc/18/00/90/720180090.db2.gz PQOQBJAGGSKSDO-NFBKMPQASA-N 2 1 384.568 2.861 20 0 GFADMP Cc1cc2[nH]ccc2c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)[nH+]1 ZINC001164751076 720832775 /nfs/dbraw/zinc/83/27/75/720832775.db2.gz YIWIQAJMVVTINC-BBTUJRGHSA-N 2 1 391.523 2.842 20 0 GFADMP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3cccc(N(C)C)[nH+]3)C2)C1 ZINC001164775969 721336869 /nfs/dbraw/zinc/33/68/69/721336869.db2.gz BBCJCKXOXGTLKI-QFIPXVFZSA-N 2 1 399.539 2.871 20 0 GFADMP Cc1[nH+]c(N2CC[C@]3(C2)CCC[C@@H](CN2CC[NH+](C)CC2)O3)cc2[nH]ccc21 ZINC001164889540 721429470 /nfs/dbraw/zinc/42/94/70/721429470.db2.gz BMGYMCLOYRVAKP-AVRDEDQJSA-N 2 1 383.540 2.637 20 0 GFADMP Cc1nc(N2CC[N@H+]3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)cc(N2CCCC2)[nH+]1 ZINC001164899346 721514093 /nfs/dbraw/zinc/51/40/93/721514093.db2.gz KVHBNNOMFQLBDH-ICSRJNTNSA-N 2 1 397.498 2.866 20 0 GFADMP Cc1nc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)cc(N(C)C)[nH+]1 ZINC001165018726 721802675 /nfs/dbraw/zinc/80/26/75/721802675.db2.gz CEPKNSYIUBOJLK-SXLOBPIMSA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165018726 721802677 /nfs/dbraw/zinc/80/26/77/721802677.db2.gz CEPKNSYIUBOJLK-SXLOBPIMSA-N 2 1 380.540 2.983 20 0 GFADMP Cc1nc(N(C)C)cc(N2C[C@@H]3CCC[C@H]([N@@H+](C)Cc4ccccn4)[C@@H]3C2)[nH+]1 ZINC001165018726 721802678 /nfs/dbraw/zinc/80/26/78/721802678.db2.gz CEPKNSYIUBOJLK-SXLOBPIMSA-N 2 1 380.540 2.983 20 0 GFADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1CCSC1 ZINC000179126060 552185103 /nfs/dbraw/zinc/18/51/03/552185103.db2.gz XVIOPSLCJHCENS-SFHVURJKSA-N 2 1 381.973 2.858 20 0 GFADMP C[N@@H+](CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1CCSC1 ZINC000179126046 552185121 /nfs/dbraw/zinc/18/51/21/552185121.db2.gz XVIOPSLCJHCENS-GOSISDBHSA-N 2 1 381.973 2.858 20 0 GFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cn2cc(Br)cn2)[C@@H](C)C1 ZINC000248157924 553127856 /nfs/dbraw/zinc/12/78/56/553127856.db2.gz RRAOKPACQXSWIC-UXLLHSPISA-N 2 1 387.366 2.761 20 0 GFADMP O=C(CC[C@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000261672823 553155972 /nfs/dbraw/zinc/15/59/72/553155972.db2.gz AUMOHDMPMWSRMJ-HNNXBMFYSA-N 2 1 394.357 2.919 20 0 GFADMP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(Br)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261705318 553156952 /nfs/dbraw/zinc/15/69/52/553156952.db2.gz PDPLJLOFQYENJR-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP O=C(NC[C@H]1CCC[N@H+](Cc2cc(Br)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000261705318 553156955 /nfs/dbraw/zinc/15/69/55/553156955.db2.gz PDPLJLOFQYENJR-CXAGYDPISA-N 2 1 398.320 2.668 20 0 GFADMP C[C@@]([NH3+])(C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(Br)cc1 ZINC000261761059 553158741 /nfs/dbraw/zinc/15/87/41/553158741.db2.gz NMFUMXDIGGIBTB-YJBOKZPZSA-N 2 1 380.330 2.756 20 0 GFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261788982 553159294 /nfs/dbraw/zinc/15/92/94/553159294.db2.gz PYBLBOKPDCDZPJ-KSSFIOAISA-N 2 1 382.346 2.860 20 0 GFADMP O=C(NC[C@@H]1CCC[N@H+](Cc2sccc2Br)C1)[C@H]1CCC[NH2+]1 ZINC000262103682 553165868 /nfs/dbraw/zinc/16/58/68/553165868.db2.gz JCYDFNBEKZGKPM-GXTWGEPZSA-N 2 1 386.359 2.591 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262190466 553167463 /nfs/dbraw/zinc/16/74/63/553167463.db2.gz YMFHQBMFDKMOPQ-KRWDZBQOSA-N 2 1 382.346 2.717 20 0 GFADMP CCCOc1ccc(Br)cc1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262190466 553167465 /nfs/dbraw/zinc/16/74/65/553167465.db2.gz YMFHQBMFDKMOPQ-KRWDZBQOSA-N 2 1 382.346 2.717 20 0 GFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCCn1cc(Br)cn1 ZINC000370486060 563245662 /nfs/dbraw/zinc/24/56/62/563245662.db2.gz VOHCDPXMWODYHX-NJAFHUGGSA-N 2 1 399.377 2.905 20 0 GFADMP CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)N2CCCCC2)s1)[C@@H]1CCC[NH2+]1 ZINC000422782312 563349842 /nfs/dbraw/zinc/34/98/42/563349842.db2.gz GHDCNBFSCOXQKA-SJORKVTESA-N 2 1 385.599 2.585 20 0 GFADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938457 563351474 /nfs/dbraw/zinc/35/14/74/563351474.db2.gz KXCYQCRXUXPIRL-JCURWCKSSA-N 2 1 377.282 2.923 20 0 GFADMP C[N@H+]1CCN(CC[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1(C)C ZINC000282255830 563403901 /nfs/dbraw/zinc/40/39/01/563403901.db2.gz GVVJISXESCHSOO-UHFFFAOYSA-N 2 1 394.357 2.841 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)C[C@H]2CSCC[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000376694173 563450721 /nfs/dbraw/zinc/45/07/21/563450721.db2.gz FJHYBRKQSYULOE-AYBZRNKSSA-N 2 1 381.973 2.934 20 0 GFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCO1 ZINC000432368223 563582709 /nfs/dbraw/zinc/58/27/09/563582709.db2.gz OQRZMYOZKGVPPN-CQSZACIVSA-N 2 1 399.329 2.811 20 0 GFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Br)c3c(c2)OCCO3)CCCO1 ZINC000432368223 563582713 /nfs/dbraw/zinc/58/27/13/563582713.db2.gz OQRZMYOZKGVPPN-CQSZACIVSA-N 2 1 399.329 2.811 20 0 GFADMP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3)CC2)C[C@H]1[NH3+] ZINC000332266998 563589214 /nfs/dbraw/zinc/58/92/14/563589214.db2.gz HYYXKKRFCZTCRL-SJKOYZFVSA-N 2 1 385.339 2.946 20 0 GFADMP CC(C)[N@H+](Cc1cccc(Br)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670025 563748989 /nfs/dbraw/zinc/74/89/89/563748989.db2.gz CNDITHTURLUVMB-INIZCTEOSA-N 2 1 382.346 2.857 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2c2ccc(Br)c(F)c2)C1 ZINC000414757175 563751731 /nfs/dbraw/zinc/75/17/31/563751731.db2.gz SASHIJBEORLQSN-SUMWQHHRSA-N 2 1 398.320 2.922 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CC[C@H](Oc3ccc(Cl)c(Cl)c3)C2)C1 ZINC000414741674 563752058 /nfs/dbraw/zinc/75/20/58/563752058.db2.gz FMEVWRSVOYKDEA-HIFRSBDPSA-N 2 1 386.323 2.644 20 0 GFADMP CC(=O)NCC[N@@H+](Cc1ccc(Br)s1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414769830 563752966 /nfs/dbraw/zinc/75/29/66/563752966.db2.gz XJDZIZCJNWCWLZ-OCCSQVGLSA-N 2 1 388.375 2.837 20 0 GFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348561 563758385 /nfs/dbraw/zinc/75/83/85/563758385.db2.gz CNBBOUKKHOFVAH-SJORKVTESA-N 2 1 385.346 2.995 20 0 GFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348561 563758386 /nfs/dbraw/zinc/75/83/86/563758386.db2.gz CNBBOUKKHOFVAH-SJORKVTESA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348561 563758387 /nfs/dbraw/zinc/75/83/87/563758387.db2.gz CNBBOUKKHOFVAH-SJORKVTESA-N 2 1 385.346 2.995 20 0 GFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)COc1ccc(Br)cc1 ZINC000441348561 563758388 /nfs/dbraw/zinc/75/83/88/563758388.db2.gz CNBBOUKKHOFVAH-SJORKVTESA-N 2 1 385.346 2.995 20 0 GFADMP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000416028491 563803115 /nfs/dbraw/zinc/80/31/15/563803115.db2.gz JZPGPOOADFFOAB-BFHYXJOUSA-N 2 1 378.826 2.664 20 0 GFADMP C[N@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)[C@H]1c1ccc(Cl)cc1 ZINC000416028491 563803117 /nfs/dbraw/zinc/80/31/17/563803117.db2.gz JZPGPOOADFFOAB-BFHYXJOUSA-N 2 1 378.826 2.664 20 0 GFADMP [NH3+][C@H](CNC(=O)NC1CC[NH+](Cc2cc(Cl)cc(Cl)c2)CC1)C1CC1 ZINC000417998444 563894203 /nfs/dbraw/zinc/89/42/03/563894203.db2.gz SXRCKTWNXZPRCL-QGZVFWFLSA-N 2 1 385.339 2.994 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000472292546 564219016 /nfs/dbraw/zinc/21/90/16/564219016.db2.gz IOJBUJWFKHFBDA-HNNXBMFYSA-N 2 1 387.977 2.793 20 0 GFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)N(C)Cc2ccc(Cl)s2)C1 ZINC000472292546 564219020 /nfs/dbraw/zinc/21/90/20/564219020.db2.gz IOJBUJWFKHFBDA-HNNXBMFYSA-N 2 1 387.977 2.793 20 0 GFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000472616977 564229606 /nfs/dbraw/zinc/22/96/06/564229606.db2.gz GKYFCYZPPURQFR-UHFFFAOYSA-N 2 1 378.314 2.934 20 0 GFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000565163403 564268560 /nfs/dbraw/zinc/26/85/60/564268560.db2.gz LGYVMEBXEAJZRG-UHFFFAOYSA-N 2 1 398.345 2.603 20 0 GFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4cccc(Br)c4)C3=O)C[C@H]21 ZINC000566562204 564332638 /nfs/dbraw/zinc/33/26/38/564332638.db2.gz OKWKKVIJSBOONJ-YYQUZTFQSA-N 2 1 378.314 2.614 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccc(Br)cc2F)C2CC2)CC1 ZINC000479067823 564424341 /nfs/dbraw/zinc/42/43/41/564424341.db2.gz WMHBPQAAABGCEM-SFHVURJKSA-N 2 1 398.320 2.793 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000513698122 564436714 /nfs/dbraw/zinc/43/67/14/564436714.db2.gz WTRZCRYZNJYWOV-IKGGRYGDSA-N 2 1 380.330 2.641 20 0 GFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2cccc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000513698125 564437038 /nfs/dbraw/zinc/43/70/38/564437038.db2.gz WTRZCRYZNJYWOV-YESZJQIVSA-N 2 1 380.330 2.641 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000514239791 564447575 /nfs/dbraw/zinc/44/75/75/564447575.db2.gz RVQZPYTXBGXGCG-ZDUSSCGKSA-N 2 1 386.359 2.812 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ccc(Br)s2)CC1 ZINC000514239791 564447579 /nfs/dbraw/zinc/44/75/79/564447579.db2.gz RVQZPYTXBGXGCG-ZDUSSCGKSA-N 2 1 386.359 2.812 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000453339451 564454103 /nfs/dbraw/zinc/45/41/03/564454103.db2.gz BVIHKJRZIWXAAB-ZQIUZPCESA-N 2 1 385.346 2.681 20 0 GFADMP C[C@H]([NH2+]C[C@@H](O)COc1cc(F)cc(Br)c1)C1=CC[N@@H+](C)CC1 ZINC000519597197 564583762 /nfs/dbraw/zinc/58/37/62/564583762.db2.gz QISSHUQGDJDLTB-BLLLJJGKSA-N 2 1 387.293 2.568 20 0 GFADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cc(F)cc(Br)c2)C1 ZINC000572393429 564593183 /nfs/dbraw/zinc/59/31/83/564593183.db2.gz JTDCDEVTUIWHSX-CJNGLKHVSA-N 2 1 389.309 2.649 20 0 GFADMP CC[NH+](CC)CC(=O)Nc1cc(Br)ccc1N1CC[N@@H+](C)C[C@H]1C ZINC000456383213 564604474 /nfs/dbraw/zinc/60/44/74/564604474.db2.gz YZXYRVCWIQHUEO-CQSZACIVSA-N 2 1 397.361 2.870 20 0 GFADMP COc1ccc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)c(Br)c1O ZINC000573816215 564654932 /nfs/dbraw/zinc/65/49/32/564654932.db2.gz YWCWBYCUTYYMKA-GDBMZVCRSA-N 2 1 399.329 2.882 20 0 GFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)c2cccs2)CC1 ZINC000578350469 564743303 /nfs/dbraw/zinc/74/33/03/564743303.db2.gz DNKZYNNWXQQYTM-LZWOXQAQSA-N 2 1 377.476 2.736 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459565291 564751671 /nfs/dbraw/zinc/75/16/71/564751671.db2.gz GLHGUBKSNVKGDR-AWEZNQCLSA-N 2 1 397.357 2.825 20 0 GFADMP COCC[NH+]1CCC([NH2+]CCC(=O)Nc2ccc(Br)cc2C)CC1 ZINC000462066081 564814213 /nfs/dbraw/zinc/81/42/13/564814213.db2.gz DMYDUXJPALRBCX-UHFFFAOYSA-N 2 1 398.345 2.787 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)c1cccc(Br)c1 ZINC000470001851 565034676 /nfs/dbraw/zinc/03/46/76/565034676.db2.gz DTKZTYGHOWEVLP-RDJZCZTQSA-N 2 1 394.357 2.696 20 0 GFADMP O=C([C@@H]1CCC[N@@H+](Cc2cnc(-c3ccsc3)s2)C1)N1CC[NH2+]CC1 ZINC000470004566 565034884 /nfs/dbraw/zinc/03/48/84/565034884.db2.gz ZKQIUEKAKSOSFV-CQSZACIVSA-N 2 1 376.551 2.515 20 0 GFADMP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000636035824 565087106 /nfs/dbraw/zinc/08/71/06/565087106.db2.gz VRMFZQOQBMWSPY-MRXNPFEDSA-N 2 1 394.357 2.872 20 0 GFADMP C[N@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000636035824 565087114 /nfs/dbraw/zinc/08/71/14/565087114.db2.gz VRMFZQOQBMWSPY-MRXNPFEDSA-N 2 1 394.357 2.872 20 0 GFADMP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1sc2c(c1Br)C[NH2+]C2 ZINC000659303404 565211991 /nfs/dbraw/zinc/21/19/91/565211991.db2.gz GRNRDVHYPPDFKN-UHFFFAOYSA-N 2 1 378.295 2.647 20 0 GFADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287024 /nfs/dbraw/zinc/28/70/24/565287024.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287028 /nfs/dbraw/zinc/28/70/28/565287028.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287030 /nfs/dbraw/zinc/28/70/30/565287030.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C2 ZINC000660651807 565287034 /nfs/dbraw/zinc/28/70/34/565287034.db2.gz CKQZVEPYZCPRRJ-FUHWJXTLSA-N 2 1 383.330 2.607 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318828 565360545 /nfs/dbraw/zinc/36/05/45/565360545.db2.gz HGWFNLNHDXUADU-HUUCEWRRSA-N 2 1 391.339 2.776 20 0 GFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H](O)COc2c(Cl)cccc2Cl)CCO1 ZINC000662318828 565360549 /nfs/dbraw/zinc/36/05/49/565360549.db2.gz HGWFNLNHDXUADU-HUUCEWRRSA-N 2 1 391.339 2.776 20 0 GFADMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667520 565381296 /nfs/dbraw/zinc/38/12/96/565381296.db2.gz BSYOBKOZWWJFJX-DYVFJYSZSA-N 2 1 380.330 2.972 20 0 GFADMP [NH3+][C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1Br ZINC000662667520 565381300 /nfs/dbraw/zinc/38/13/00/565381300.db2.gz BSYOBKOZWWJFJX-DYVFJYSZSA-N 2 1 380.330 2.972 20 0 GFADMP C[N@H+]1CCC[C@H](CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)[C@H]1c1cccs1 ZINC000662743928 565383615 /nfs/dbraw/zinc/38/36/15/565383615.db2.gz ABHOXHHFZXZZNT-INWMFGNUSA-N 2 1 375.460 2.789 20 0 GFADMP C[C@]([NH3+])(C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc(Br)cc1 ZINC000662835002 565387534 /nfs/dbraw/zinc/38/75/34/565387534.db2.gz JZHCRLUQAOLLMB-XYJFISCASA-N 2 1 380.330 2.756 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000669930928 565708456 /nfs/dbraw/zinc/70/84/56/565708456.db2.gz OWAYCPXRIJLENZ-KRWDZBQOSA-N 2 1 380.330 2.750 20 0 GFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2c2ccccc2Br)CC1 ZINC000669930928 565708457 /nfs/dbraw/zinc/70/84/57/565708457.db2.gz OWAYCPXRIJLENZ-KRWDZBQOSA-N 2 1 380.330 2.750 20 0 GFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705667 565832757 /nfs/dbraw/zinc/83/27/57/565832757.db2.gz PNTHWDYUORVKIX-IIAWOOMASA-N 2 1 397.313 2.896 20 0 GFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc4c(c(Br)c3)OCO4)C2)C1 ZINC000650705668 565833063 /nfs/dbraw/zinc/83/30/63/565833063.db2.gz PNTHWDYUORVKIX-LZWOXQAQSA-N 2 1 397.313 2.896 20 0 GFADMP COc1cc(C[NH2+]CC2([NH3+])CCOCC2)cc(Br)c1OC(F)F ZINC000629387607 565849588 /nfs/dbraw/zinc/84/95/88/565849588.db2.gz HYSSFKFXOKNLFB-UHFFFAOYSA-N 2 1 395.244 2.657 20 0 GFADMP CN1CCC([N@H+]2CC[C@H](Nc3ncnc4ccc(Br)cc43)C2)CC1 ZINC000603395097 565902248 /nfs/dbraw/zinc/90/22/48/565902248.db2.gz RJXPJULEZMEOOB-AWEZNQCLSA-N 2 1 390.329 2.973 20 0 GFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000604388828 565928690 /nfs/dbraw/zinc/92/86/90/565928690.db2.gz FGCSSKYIZOGBNI-KRWDZBQOSA-N 2 1 382.346 2.540 20 0 GFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCOc3cccc(Br)c3)CC2)C1 ZINC000604388828 565928692 /nfs/dbraw/zinc/92/86/92/565928692.db2.gz FGCSSKYIZOGBNI-KRWDZBQOSA-N 2 1 382.346 2.540 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COc1cccc(Cl)c1Cl ZINC000655699932 566082649 /nfs/dbraw/zinc/08/26/49/566082649.db2.gz HZXBZAXGBSXXJD-HUUCEWRRSA-N 2 1 389.323 2.576 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736453580 598898857 /nfs/dbraw/zinc/89/88/57/598898857.db2.gz QQQMQMAYSIFTOJ-MRXNPFEDSA-N 2 1 399.543 2.638 20 0 GFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736454458 598898919 /nfs/dbraw/zinc/89/89/19/598898919.db2.gz ZSMWQWINVOUDDK-UHFFFAOYSA-N 2 1 399.543 2.639 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000826182232 607630632 /nfs/dbraw/zinc/63/06/32/607630632.db2.gz FAMREXOIRVPNEB-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000826182232 607630634 /nfs/dbraw/zinc/63/06/34/607630634.db2.gz FAMREXOIRVPNEB-HNNXBMFYSA-N 2 1 379.468 2.513 20 0 GFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824936933 609335651 /nfs/dbraw/zinc/33/56/51/609335651.db2.gz NKNNUNAPTXMAAL-MRXNPFEDSA-N 2 1 394.527 2.621 20 0 GFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1 ZINC000824936933 609335653 /nfs/dbraw/zinc/33/56/53/609335653.db2.gz NKNNUNAPTXMAAL-MRXNPFEDSA-N 2 1 394.527 2.621 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000819062307 660245041 /nfs/dbraw/zinc/24/50/41/660245041.db2.gz PPWYETNSQFVASD-ROUUACIJSA-N 2 1 383.330 2.716 20 0 GFADMP COc1cc2[nH+]ccc(NC[C@@H]3C[N@H+]4CCC[C@@H]4CO3)c2cc1Br ZINC000819910870 660274418 /nfs/dbraw/zinc/27/44/18/660274418.db2.gz BVGUGZRWAREVME-CHWSQXEVSA-N 2 1 392.297 2.703 20 0 GFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C)nc1I ZINC000894180044 663447001 /nfs/dbraw/zinc/44/70/01/663447001.db2.gz IMEXPNPVARIDPC-ZDUSSCGKSA-N 2 1 390.313 2.769 20 0 GFADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264602919 655466951 /nfs/dbraw/zinc/46/69/51/655466951.db2.gz KLXWNKLILVOMEE-RBUKOAKNSA-N 2 1 396.373 2.584 20 0 GFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000264602919 655466952 /nfs/dbraw/zinc/46/69/52/655466952.db2.gz KLXWNKLILVOMEE-RBUKOAKNSA-N 2 1 396.373 2.584 20 0 GFADMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000734842520 655635213 /nfs/dbraw/zinc/63/52/13/655635213.db2.gz OEKOBFPCDSBYAQ-MRXNPFEDSA-N 2 1 381.977 2.776 20 0 GFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755754344 655888545 /nfs/dbraw/zinc/88/85/45/655888545.db2.gz WNZBBBPMNQLCTH-UHFFFAOYSA-N 2 1 390.285 2.644 20 0 GFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cn1nc(Br)c(=O)c2ccccc21 ZINC000755754344 655888546 /nfs/dbraw/zinc/88/85/46/655888546.db2.gz WNZBBBPMNQLCTH-UHFFFAOYSA-N 2 1 390.285 2.644 20 0 GFADMP Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000841107491 661233590 /nfs/dbraw/zinc/23/35/90/661233590.db2.gz IJSVPZSGRVXULV-UHFFFAOYSA-N 2 1 383.323 2.832 20 0 GFADMP CC(C)[N@@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Br)cc(F)c2F)C1 ZINC000844765765 661438670 /nfs/dbraw/zinc/43/86/70/661438670.db2.gz DKKNKIPNTKVRBI-CYBMUJFWSA-N 2 1 392.244 2.835 20 0 GFADMP CC(C)[N@H+]1CCO[C@@H](C(=[NH2+])NOCc2cc(Br)cc(F)c2F)C1 ZINC000844765765 661438673 /nfs/dbraw/zinc/43/86/73/661438673.db2.gz DKKNKIPNTKVRBI-CYBMUJFWSA-N 2 1 392.244 2.835 20 0 GFADMP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2cc3cc(Cl)ccc3nc2Cl)C1 ZINC000848599028 661666930 /nfs/dbraw/zinc/66/69/30/661666930.db2.gz ATZHRRYYVIOTOU-LBPRGKRZSA-N 2 1 381.307 2.829 20 0 GFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852018590 661849350 /nfs/dbraw/zinc/84/93/50/661849350.db2.gz NRZYJASFCVUPSZ-MRXNPFEDSA-N 2 1 392.345 2.931 20 0 GFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cnc(Br)n1 ZINC000852018590 661849352 /nfs/dbraw/zinc/84/93/52/661849352.db2.gz NRZYJASFCVUPSZ-MRXNPFEDSA-N 2 1 392.345 2.931 20 0 GFADMP COCC[N@H+](Cc1cn2ccc(Br)cc2n1)CC1CC[NH+](C)CC1 ZINC000877664430 662881216 /nfs/dbraw/zinc/88/12/16/662881216.db2.gz OTXCLUVOYWJKCD-UHFFFAOYSA-N 2 1 395.345 2.887 20 0 GFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000878445420 662896641 /nfs/dbraw/zinc/89/66/41/662896641.db2.gz GPOOBPROSLOOSE-BMFZPTHFSA-N 2 1 394.313 2.971 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cc(Br)no1 ZINC000878445420 662896642 /nfs/dbraw/zinc/89/66/42/662896642.db2.gz GPOOBPROSLOOSE-BMFZPTHFSA-N 2 1 394.313 2.971 20 0 GFADMP COCC[N@@H+](C[C@@H](O)c1ccc(Br)cc1)CC1CC[NH+](C)CC1 ZINC000879125029 662917999 /nfs/dbraw/zinc/91/79/99/662917999.db2.gz MVVRIQMEPFCQED-GOSISDBHSA-N 2 1 385.346 2.773 20 0 GFADMP CC1(C)C[NH2+]C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000884232259 663067391 /nfs/dbraw/zinc/06/73/91/663067391.db2.gz MJTLNZYLIRXJCR-QGZVFWFLSA-N 2 1 394.357 2.775 20 0 GFADMP Clc1nc(N2CCOCC2)sc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000893941261 663432540 /nfs/dbraw/zinc/43/25/40/663432540.db2.gz UVYYYALXWNYTKU-UHFFFAOYSA-N 2 1 384.977 2.941 20 0 GFADMP C[C@@H]1C[N@H+](Cc2cnn3cc(Br)cnc23)CCN1c1cc[nH+]cc1 ZINC000895556067 663519012 /nfs/dbraw/zinc/51/90/12/663519012.db2.gz GLTXCLHJYFPPRZ-CYBMUJFWSA-N 2 1 387.285 2.598 20 0 GFADMP C[C@@H]1C[N@@H+](Cc2cnn3cc(Br)cnc23)CCN1c1cc[nH+]cc1 ZINC000895556067 663519015 /nfs/dbraw/zinc/51/90/15/663519015.db2.gz GLTXCLHJYFPPRZ-CYBMUJFWSA-N 2 1 387.285 2.598 20 0 GFADMP COc1ccc(Br)cc1[C@@H]([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911812315 664256951 /nfs/dbraw/zinc/25/69/51/664256951.db2.gz XCCIBVKPHPFWQX-QGZVFWFLSA-N 2 1 390.281 2.742 20 0 GFADMP Cc1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)ncc1Br ZINC000922388203 664598193 /nfs/dbraw/zinc/59/81/93/664598193.db2.gz CVVGPDPHFLZRIE-ZJPYXAASSA-N 2 1 382.346 2.722 20 0 GFADMP CC(C)[C@@H]1[N@@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(O)ccc1Br)C2 ZINC000922390037 664598434 /nfs/dbraw/zinc/59/84/34/664598434.db2.gz ZRLIXLYDEZEITB-BDXSIMOUSA-N 2 1 383.330 2.724 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391375 664598505 /nfs/dbraw/zinc/59/85/05/664598505.db2.gz VRJFIGBMUFPQMI-UWIFEVILSA-N 2 1 382.346 2.722 20 0 GFADMP Cc1ccnc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)c1Br ZINC000922391375 664598506 /nfs/dbraw/zinc/59/85/06/664598506.db2.gz VRJFIGBMUFPQMI-UWIFEVILSA-N 2 1 382.346 2.722 20 0 GFADMP Clc1nc2c(c(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n1)C[NH2+]CC2 ZINC001164626190 719053485 /nfs/dbraw/zinc/05/34/85/719053485.db2.gz QYBNYAMTTRZHQI-QFBILLFUSA-N 2 1 383.927 2.877 20 0 GFADMP [NH3+]C1CCN(c2ccnc(N3CCC[C@H]4C[N@@H+](Cc5ccccc5)C[C@H]43)n2)CC1 ZINC001164626086 719087720 /nfs/dbraw/zinc/08/77/20/719087720.db2.gz IDLZFBSZAIIQBH-PZJWPPBQSA-N 2 1 392.551 2.505 20 0 GFADMP CC(C)[N@@H+]1[C@@H]2CCN(c3cc(-n4ccnc4)cc[nH+]3)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164841475 720628721 /nfs/dbraw/zinc/62/87/21/720628721.db2.gz SFSBNPDVJMDCJX-HLAWJBBLSA-N 2 1 391.523 2.842 20 0 GFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(I)cc1 ZINC000151376815 551412576 /nfs/dbraw/zinc/41/25/76/551412576.db2.gz MNCPPKFGZSGENN-ZDUSSCGKSA-N 2 1 388.293 2.789 20 0 GFADMP O=C(NCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Br)c1 ZINC000166426809 551631644 /nfs/dbraw/zinc/63/16/44/551631644.db2.gz DXHPXNCNRSUJDX-IAGOWNOFSA-N 2 1 380.330 2.785 20 0 GFADMP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2csc(-c3ccsc3)n2)CC1 ZINC000171656205 551660332 /nfs/dbraw/zinc/66/03/32/551660332.db2.gz UYXOYQNUMMZZFT-UHFFFAOYSA-N 2 1 378.567 2.761 20 0 GFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261718886 553157560 /nfs/dbraw/zinc/15/75/60/553157560.db2.gz JVFNIGPPAOSPFS-HBUWYVDXSA-N 2 1 382.346 2.860 20 0 GFADMP NC(=O)[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(Br)cc1F ZINC000278135897 563242246 /nfs/dbraw/zinc/24/22/46/563242246.db2.gz VSFWUGVSHIIFMH-INIZCTEOSA-N 2 1 384.293 2.579 20 0 GFADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](O)COc2ccccc2Br)c2ccccc21 ZINC000422938455 563351910 /nfs/dbraw/zinc/35/19/10/563351910.db2.gz KXCYQCRXUXPIRL-CSMYWGQOSA-N 2 1 377.282 2.923 20 0 GFADMP Brc1cccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C2CCOCC2)c1 ZINC000423489210 563361119 /nfs/dbraw/zinc/36/11/19/563361119.db2.gz FOQRAWICUCPNNE-ZWKOTPCHSA-N 2 1 383.330 2.885 20 0 GFADMP CC(C)[C@H](C[NH3+])C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000433145174 563603996 /nfs/dbraw/zinc/60/39/96/563603996.db2.gz PKCFWXIHGJSPHO-KRWDZBQOSA-N 2 1 382.346 2.761 20 0 GFADMP CC[N@@H+](CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)CCC(F)(F)F ZINC000412283584 563652494 /nfs/dbraw/zinc/65/24/94/563652494.db2.gz IIJBJUCXKXDMOQ-OAHLLOKOSA-N 2 1 381.508 2.594 20 0 GFADMP CC[N@H+](CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435626508 563655528 /nfs/dbraw/zinc/65/55/28/563655528.db2.gz KRHUWSJNZCXSHJ-MRXNPFEDSA-N 2 1 382.346 2.872 20 0 GFADMP CC[N@@H+](CC(=O)N(C)Cc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435626508 563655531 /nfs/dbraw/zinc/65/55/31/563655531.db2.gz KRHUWSJNZCXSHJ-MRXNPFEDSA-N 2 1 382.346 2.872 20 0 GFADMP CCN1CC[NH+](CCCC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289835494 563688794 /nfs/dbraw/zinc/68/87/94/563688794.db2.gz JZMWJTRNPPBROO-UHFFFAOYSA-N 2 1 394.361 2.604 20 0 GFADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438850028 563712633 /nfs/dbraw/zinc/71/26/33/563712633.db2.gz UATMMORTMGPSPW-MRXNPFEDSA-N 2 1 389.309 2.744 20 0 GFADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000438850028 563712636 /nfs/dbraw/zinc/71/26/36/563712636.db2.gz UATMMORTMGPSPW-MRXNPFEDSA-N 2 1 389.309 2.744 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2cccc(Br)c2)C2CC2)C1 ZINC000414681729 563749947 /nfs/dbraw/zinc/74/99/47/563749947.db2.gz WQYVMDJMDQOZFG-HNNXBMFYSA-N 2 1 380.330 2.611 20 0 GFADMP COC[C@@]1(C[NH2+][C@H](C)CC(=O)Nc2ccc(Br)cc2)CCC[NH2+]1 ZINC000414939660 563754321 /nfs/dbraw/zinc/75/43/21/563754321.db2.gz GSAKEIOCVSVYKK-DYVFJYSZSA-N 2 1 384.318 2.524 20 0 GFADMP CN(C(=O)NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1CC([NH3+])C1 ZINC000417897721 563890858 /nfs/dbraw/zinc/89/08/58/563890858.db2.gz YDWOLUZBNJAUII-UHFFFAOYSA-N 2 1 395.345 2.545 20 0 GFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccc(C)c1Cl ZINC000538317285 564188510 /nfs/dbraw/zinc/18/85/10/564188510.db2.gz AOJVXRPRVHLPPH-INIZCTEOSA-N 2 1 387.977 2.685 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(Br)c1 ZINC000505772755 564189870 /nfs/dbraw/zinc/18/98/70/564189870.db2.gz MRJQNJQJBGGEMU-GOSISDBHSA-N 2 1 396.373 2.866 20 0 GFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(I)cc1 ZINC000511045882 564355021 /nfs/dbraw/zinc/35/50/21/564355021.db2.gz JCLYSOFSTXUKTN-DVOMOZLQSA-N 2 1 388.293 2.988 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CC(C)(C)c3ccc(Br)cc32)CC1 ZINC000479067211 564423939 /nfs/dbraw/zinc/42/39/39/564423939.db2.gz VRUNOOMOCGYEDG-KRWDZBQOSA-N 2 1 394.357 2.925 20 0 GFADMP COc1ccc(Br)cc1C[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000453346465 564453994 /nfs/dbraw/zinc/45/39/94/564453994.db2.gz FKSCMFKNOSVHBN-ZXFNITATSA-N 2 1 399.373 2.927 20 0 GFADMP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Br ZINC000453387114 564456210 /nfs/dbraw/zinc/45/62/10/564456210.db2.gz WBTCXEXDUNJOIN-BPUTZDHNSA-N 2 1 385.346 2.681 20 0 GFADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000576272370 564711126 /nfs/dbraw/zinc/71/11/26/564711126.db2.gz WXLRFUVVBBVINQ-SFHVURJKSA-N 2 1 397.357 2.542 20 0 GFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(c2ccc(Br)cc2)CCOCC1)C1CC1 ZINC000576272370 564711132 /nfs/dbraw/zinc/71/11/32/564711132.db2.gz WXLRFUVVBBVINQ-SFHVURJKSA-N 2 1 397.357 2.542 20 0 GFADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1cc(Br)ccc1F ZINC000459568849 564751573 /nfs/dbraw/zinc/75/15/73/564751573.db2.gz KFRLQMGGTDSWNX-ZDUSSCGKSA-N 2 1 385.321 2.956 20 0 GFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCn2cc(Br)cn2)[C@@H](C)C1 ZINC000490404406 564769735 /nfs/dbraw/zinc/76/97/35/564769735.db2.gz RFMFIHCZGUOHPW-DOTOQJQBSA-N 2 1 387.366 2.762 20 0 GFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCN(c3cccc(Br)c3)C2)CC1 ZINC000462031878 564812407 /nfs/dbraw/zinc/81/24/07/564812407.db2.gz MDNDWUQWTHRZMP-INIZCTEOSA-N 2 1 396.373 2.976 20 0 GFADMP Cc1cc(Br)cc2c1[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000493977360 564815350 /nfs/dbraw/zinc/81/53/50/564815350.db2.gz NMHOGJAMTCOUSC-RDJZCZTQSA-N 2 1 394.357 2.922 20 0 GFADMP Fc1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(F)cc1Br ZINC000530219934 564873243 /nfs/dbraw/zinc/87/32/43/564873243.db2.gz LLINAJXURNZGET-IUIKQTSFSA-N 2 1 375.257 2.974 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584173254 564924470 /nfs/dbraw/zinc/92/44/70/564924470.db2.gz GADJOBBFBSJRMF-CVEARBPZSA-N 2 1 394.357 2.729 20 0 GFADMP COc1cc(Cl)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000470013785 565035720 /nfs/dbraw/zinc/03/57/20/565035720.db2.gz QNHAQUYPILVRCJ-ZDUSSCGKSA-N 2 1 386.323 2.646 20 0 GFADMP COc1cc(Cl)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1Cl ZINC000470013785 565035722 /nfs/dbraw/zinc/03/57/22/565035722.db2.gz QNHAQUYPILVRCJ-ZDUSSCGKSA-N 2 1 386.323 2.646 20 0 GFADMP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1cc[nH+]cc1Br ZINC000684892369 565086643 /nfs/dbraw/zinc/08/66/43/565086643.db2.gz JPEKGJKSUVBPSF-SFHVURJKSA-N 2 1 376.298 2.917 20 0 GFADMP CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1cc[nH+]cc1Br ZINC000684892369 565086648 /nfs/dbraw/zinc/08/66/48/565086648.db2.gz JPEKGJKSUVBPSF-SFHVURJKSA-N 2 1 376.298 2.917 20 0 GFADMP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1sc2c(c1Br)C[NH2+]C2 ZINC000638528670 565200043 /nfs/dbraw/zinc/20/00/43/565200043.db2.gz GRWLTNNMXMZECZ-WCQYABFASA-N 2 1 392.322 2.599 20 0 GFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617503472 565243194 /nfs/dbraw/zinc/24/31/94/565243194.db2.gz KYHDZCTYAJVERG-JCGIZDLHSA-N 2 1 396.373 2.941 20 0 GFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC000617503472 565243200 /nfs/dbraw/zinc/24/32/00/565243200.db2.gz KYHDZCTYAJVERG-JCGIZDLHSA-N 2 1 396.373 2.941 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682097 565255245 /nfs/dbraw/zinc/25/52/45/565255245.db2.gz KKWMRICVYZXYKL-UHFFFAOYSA-N 2 1 378.929 2.967 20 0 GFADMP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682097 565255251 /nfs/dbraw/zinc/25/52/51/565255251.db2.gz KKWMRICVYZXYKL-UHFFFAOYSA-N 2 1 378.929 2.967 20 0 GFADMP CN(Cc1ccccc1Br)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639762886 565257975 /nfs/dbraw/zinc/25/79/75/565257975.db2.gz OMZJEWKVFOWDAM-UHFFFAOYSA-N 2 1 394.357 2.825 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251911 565357698 /nfs/dbraw/zinc/35/76/98/565357698.db2.gz INPAFRGQOXCYIP-CVEARBPZSA-N 2 1 384.307 2.917 20 0 GFADMP O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251911 565357702 /nfs/dbraw/zinc/35/77/02/565357702.db2.gz INPAFRGQOXCYIP-CVEARBPZSA-N 2 1 384.307 2.917 20 0 GFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403447 565366020 /nfs/dbraw/zinc/36/60/20/565366020.db2.gz MCRSTTYAEQQYAO-MNOVXSKESA-N 2 1 386.359 2.964 20 0 GFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662403447 565366023 /nfs/dbraw/zinc/36/60/23/565366023.db2.gz MCRSTTYAEQQYAO-MNOVXSKESA-N 2 1 386.359 2.964 20 0 GFADMP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)Cc1ccc(F)cc1 ZINC000662490411 565371454 /nfs/dbraw/zinc/37/14/54/565371454.db2.gz PRHARWFYBDLETL-KRWDZBQOSA-N 2 1 394.288 2.836 20 0 GFADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1ccccc1Br)Cc1ccc(F)cc1 ZINC000662490411 565371457 /nfs/dbraw/zinc/37/14/57/565371457.db2.gz PRHARWFYBDLETL-KRWDZBQOSA-N 2 1 394.288 2.836 20 0 GFADMP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662499167 565372582 /nfs/dbraw/zinc/37/25/82/565372582.db2.gz WUCLGIPJPGSPIY-LLVKDONJSA-N 2 1 386.359 2.822 20 0 GFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2sc3c(c2Br)C[NH2+]C3)C1 ZINC000662499167 565372585 /nfs/dbraw/zinc/37/25/85/565372585.db2.gz WUCLGIPJPGSPIY-LLVKDONJSA-N 2 1 386.359 2.822 20 0 GFADMP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COc1cc(Cl)ccc1Cl ZINC000663362915 565415418 /nfs/dbraw/zinc/41/54/18/565415418.db2.gz FNFWKPWMVJJSQG-JKSUJKDBSA-N 2 1 389.323 2.576 20 0 GFADMP Ic1ccc([C@@H]2CCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884382 565496421 /nfs/dbraw/zinc/49/64/21/565496421.db2.gz FDXGOXHJSQCNDT-CVEARBPZSA-N 2 1 398.288 2.949 20 0 GFADMP Ic1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000595884382 565496423 /nfs/dbraw/zinc/49/64/23/565496423.db2.gz FDXGOXHJSQCNDT-CVEARBPZSA-N 2 1 398.288 2.949 20 0 GFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2c2ccccc2Br)C1 ZINC000666701986 565553925 /nfs/dbraw/zinc/55/39/25/565553925.db2.gz VYOSKBRTANPPFO-RHSMWYFYSA-N 2 1 380.330 2.783 20 0 GFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+]([C@H]1CCc3cc(Br)ccc3NC1=O)C2 ZINC000629539034 565857673 /nfs/dbraw/zinc/85/76/73/565857673.db2.gz PSRPFFLPFCFTMP-OWQGQXMQSA-N 2 1 378.314 2.763 20 0 GFADMP C[C@H](c1ccc(F)c(Br)c1)n1cc(CC[NH+]2CCC([NH3+])CC2)nn1 ZINC000630593652 565910743 /nfs/dbraw/zinc/91/07/43/565910743.db2.gz OSOBACPGGHJIQS-GFCCVEGCSA-N 2 1 396.308 2.755 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000631109535 565941788 /nfs/dbraw/zinc/94/17/88/565941788.db2.gz FTHWFKPCDFUQOA-ZFWWWQNUSA-N 2 1 385.961 2.730 20 0 GFADMP C[C@H]([NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000631109535 565941792 /nfs/dbraw/zinc/94/17/92/565941792.db2.gz FTHWFKPCDFUQOA-ZFWWWQNUSA-N 2 1 385.961 2.730 20 0 GFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)c1 ZINC000735856985 599485799 /nfs/dbraw/zinc/48/57/99/599485799.db2.gz NNSWKMKZWNKELD-UHFFFAOYSA-N 2 1 390.495 2.644 20 0 GFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826157945 608377839 /nfs/dbraw/zinc/37/78/39/608377839.db2.gz SGWQILMUFXNZTH-QGZVFWFLSA-N 2 1 386.544 2.998 20 0 GFADMP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000819061326 660245045 /nfs/dbraw/zinc/24/50/45/660245045.db2.gz KTDXFSVVISTFJC-MSOLQXFVSA-N 2 1 383.330 2.716 20 0 GFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc(Br)c2)CC1 ZINC000819129027 660247348 /nfs/dbraw/zinc/24/73/48/660247348.db2.gz XJANWJPNNFRLGC-SFHVURJKSA-N 2 1 385.346 2.962 20 0 GFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962072 654784855 /nfs/dbraw/zinc/78/48/55/654784855.db2.gz QYCUQKVFTLFISL-GOEBONIOSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962072 654784858 /nfs/dbraw/zinc/78/48/58/654784858.db2.gz QYCUQKVFTLFISL-GOEBONIOSA-N 2 1 395.345 2.979 20 0 GFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000124962072 654784859 /nfs/dbraw/zinc/78/48/59/654784859.db2.gz QYCUQKVFTLFISL-GOEBONIOSA-N 2 1 395.345 2.979 20 0 GFADMP O[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000132451236 654938275 /nfs/dbraw/zinc/93/82/75/654938275.db2.gz DTBVZLIZCCGMLW-GOSISDBHSA-N 2 1 383.330 2.527 20 0 GFADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000109754910 655151139 /nfs/dbraw/zinc/15/11/39/655151139.db2.gz KLXWNKLILVOMEE-OALUTQOASA-N 2 1 396.373 2.584 20 0 GFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000109754910 655151144 /nfs/dbraw/zinc/15/11/44/655151144.db2.gz KLXWNKLILVOMEE-OALUTQOASA-N 2 1 396.373 2.584 20 0 GFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H]2CCCOc3c(Cl)c(Cl)ccc32)CC1 ZINC000178673980 655308002 /nfs/dbraw/zinc/30/80/02/655308002.db2.gz YKBRKRFNXXEDQL-HNNXBMFYSA-N 2 1 386.323 2.961 20 0 GFADMP C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(Cl)ccc1OC(F)F ZINC000178673674 655308040 /nfs/dbraw/zinc/30/80/40/655308040.db2.gz CMOJTLGQWCLYOE-LBPRGKRZSA-N 2 1 375.847 2.756 20 0 GFADMP COc1ccc(Br)cc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000265446291 655483559 /nfs/dbraw/zinc/48/35/59/655483559.db2.gz RQVYQRXZHWVKQS-UHFFFAOYSA-N 2 1 396.373 2.917 20 0 GFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(F)c(Cl)nc2Cl)CC1 ZINC000728816966 655559251 /nfs/dbraw/zinc/55/92/51/655559251.db2.gz XOCNKQGYJLHSPH-UHFFFAOYSA-N 2 1 384.242 2.927 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)c(Cl)n1C ZINC000750735604 655816757 /nfs/dbraw/zinc/81/67/57/655816757.db2.gz ZDMMFECKLDTWBS-CYBMUJFWSA-N 2 1 375.344 2.820 20 0 GFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(Cl)sc1Cl ZINC000847418780 661591713 /nfs/dbraw/zinc/59/17/13/661591713.db2.gz KHZDMIGBFRLULO-LLVKDONJSA-N 2 1 379.357 2.938 20 0 GFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cnc(Br)n2)cc1 ZINC000851904398 661845508 /nfs/dbraw/zinc/84/55/08/661845508.db2.gz VWBOWPWEQNELRI-LBPRGKRZSA-N 2 1 375.274 2.886 20 0 GFADMP CC[N@@H+]1CCc2nc(NC(=O)c3csc(C4CC[NH2+]CC4)n3)sc2C1 ZINC000870861437 662703876 /nfs/dbraw/zinc/70/38/76/662703876.db2.gz WCJTUXXRIIFNDG-UHFFFAOYSA-N 2 1 377.539 2.697 20 0 GFADMP CC[N@H+]1CCc2nc(NC(=O)c3csc(C4CC[NH2+]CC4)n3)sc2C1 ZINC000870861437 662703878 /nfs/dbraw/zinc/70/38/78/662703878.db2.gz WCJTUXXRIIFNDG-UHFFFAOYSA-N 2 1 377.539 2.697 20 0 GFADMP O[C@H](C[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1)C[NH+]1CCCC1 ZINC000872027970 662754157 /nfs/dbraw/zinc/75/41/57/662754157.db2.gz OPQPZXYOFXTQEA-JQHSSLGASA-N 2 1 383.330 2.573 20 0 GFADMP COCCC1([NH2+]Cc2cnc3c(C)cc(Br)cn23)CC[NH2+]CC1 ZINC000873224607 662803936 /nfs/dbraw/zinc/80/39/36/662803936.db2.gz HRLKHODSVUQMHF-UHFFFAOYSA-N 2 1 381.318 2.654 20 0 GFADMP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877015755 662869706 /nfs/dbraw/zinc/86/97/06/662869706.db2.gz BIQKGERBKAIZGX-CYBMUJFWSA-N 2 1 389.769 2.861 20 0 GFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H](O)c1ccc(Br)cc1 ZINC000878287399 662893181 /nfs/dbraw/zinc/89/31/81/662893181.db2.gz AYPGDCVHJSLMPN-TVFCKZIOSA-N 2 1 383.330 2.666 20 0 GFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884229915 663067452 /nfs/dbraw/zinc/06/74/52/663067452.db2.gz DMVVIQXHVPPRDW-RHSMWYFYSA-N 2 1 380.330 2.639 20 0 GFADMP C[C@H]([NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000892907017 663389132 /nfs/dbraw/zinc/38/91/32/663389132.db2.gz WGDJSBXQMCHQNW-MAUKXSAKSA-N 2 1 384.973 2.965 20 0 GFADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@H]1C[NH3+] ZINC000904410964 663833042 /nfs/dbraw/zinc/83/30/42/663833042.db2.gz RXWDDUAXUDHJNX-GJZGRUSLSA-N 2 1 382.346 2.702 20 0 GFADMP C[C@H]1C[N@@H+](Cc2ccc(Br)cc2N2CCOCC2)CC[C@@H]1C[NH3+] ZINC000904410966 663833292 /nfs/dbraw/zinc/83/32/92/663833292.db2.gz RXWDDUAXUDHJNX-LSDHHAIUSA-N 2 1 382.346 2.702 20 0 GFADMP C[NH+](C)C[C@H](NC(=O)C[C@]1(O)CCC[N@@H+](C)C1)c1ccc(Cl)c(Cl)c1 ZINC000913159160 664326789 /nfs/dbraw/zinc/32/67/89/664326789.db2.gz KEQYYYPHLDVYJV-FUHWJXTLSA-N 2 1 388.339 2.559 20 0 GFADMP O[C@@H](C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)c1cccc(Br)c1 ZINC000923382256 664629333 /nfs/dbraw/zinc/62/93/33/664629333.db2.gz BMIRWSUGFJCWGZ-SFHVURJKSA-N 2 1 391.313 2.619 20 0 GFADMP