smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c3C2)cc1 ZINC001164404847 718861649 /nfs/dbraw/zinc/86/16/49/718861649.db2.gz QOZLUPATUJQYHQ-NQIIRXRSSA-N 2 2 379.508 1.850 20 0 GDADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@H]5C[NH2+]CC[C@@H]5C4)c3C2)cc1 ZINC001164404847 718861651 /nfs/dbraw/zinc/86/16/51/718861651.db2.gz QOZLUPATUJQYHQ-NQIIRXRSSA-N 2 2 379.508 1.850 20 0 GDADLP CS(=O)(=O)N(Cc1noc2c1C[NH2+]CC2)c1ncccc1C[NH+]1CCCC1 ZINC001164653808 719327408 /nfs/dbraw/zinc/32/74/08/719327408.db2.gz ILDJFFRUSXYMQK-UHFFFAOYSA-N 2 2 391.497 1.277 20 0 GDADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@H]21 ZINC001164668551 719464995 /nfs/dbraw/zinc/46/49/95/719464995.db2.gz QNYOTXDQFRDYKR-RTBURBONSA-N 2 2 380.496 1.322 20 0 GDADLP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@H]21 ZINC001164668551 719465003 /nfs/dbraw/zinc/46/50/03/719465003.db2.gz QNYOTXDQFRDYKR-RTBURBONSA-N 2 2 380.496 1.322 20 0 GDADLP C[NH+](C)Cc1ccnc(N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)c1 ZINC001164861693 720896687 /nfs/dbraw/zinc/89/66/87/720896687.db2.gz YNALBGAKPCLYKL-UHFFFAOYSA-N 2 2 379.468 1.355 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164772240 721161486 /nfs/dbraw/zinc/16/14/86/721161486.db2.gz UQKMSRJNBTUXAB-ROUUACIJSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164772240 721161496 /nfs/dbraw/zinc/16/14/96/721161496.db2.gz UQKMSRJNBTUXAB-ROUUACIJSA-N 2 2 383.500 1.005 20 0 GDADLP CCN1C(=O)[C@]2(CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]32)N=C1C ZINC001164871675 721230262 /nfs/dbraw/zinc/23/02/62/721230262.db2.gz KHMKFHAGYAJSDA-NJNPRVFISA-N 2 2 396.539 1.699 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164884202 721343128 /nfs/dbraw/zinc/34/31/28/721343128.db2.gz NFALIIUFXMZKRK-XMSQKQJNSA-N 2 2 399.539 1.345 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164783642 721415624 /nfs/dbraw/zinc/41/56/24/721415624.db2.gz JCPDZPYXEMRDQR-VXGBXAGGSA-N 2 2 384.465 1.769 20 0 GDADLP CN1c2ccccc2[C@]2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1=O ZINC001164980552 722162193 /nfs/dbraw/zinc/16/21/93/722162193.db2.gz NDGWGEWQZNOQRB-JOCHJYFZSA-N 2 2 377.492 1.958 20 0 GDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358985 945429863 /nfs/dbraw/zinc/42/98/63/945429863.db2.gz QRNBSFKPNIAPNZ-WMLDXEAASA-N 2 2 398.515 1.395 20 0 GDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358985 945429867 /nfs/dbraw/zinc/42/98/67/945429867.db2.gz QRNBSFKPNIAPNZ-WMLDXEAASA-N 2 2 398.515 1.395 20 0 GDADLP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824463656 946718041 /nfs/dbraw/zinc/71/80/41/946718041.db2.gz ACJWMERFWOXSQX-HNNXBMFYSA-N 2 2 378.484 1.842 20 0 GDADLP NC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826390088 948198427 /nfs/dbraw/zinc/19/84/27/948198427.db2.gz PVOMVPOOFBTNFO-UHFFFAOYSA-N 2 2 383.500 1.465 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001573756153 948802035 /nfs/dbraw/zinc/80/20/35/948802035.db2.gz MKWHQCRVQGSGSJ-ZDUSSCGKSA-N 2 2 380.456 1.807 20 0 GDADLP C[C@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878797 949678764 /nfs/dbraw/zinc/67/87/64/949678764.db2.gz PFDQGDYEVCSCDY-BBRMVZONSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878797 949678779 /nfs/dbraw/zinc/67/87/79/949678779.db2.gz PFDQGDYEVCSCDY-BBRMVZONSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574723989 949861175 /nfs/dbraw/zinc/86/11/75/949861175.db2.gz DLLODHGNLFOJFA-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574723988 949861263 /nfs/dbraw/zinc/86/12/63/949861263.db2.gz DLLODHGNLFOJFA-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493018 950114747 /nfs/dbraw/zinc/11/47/47/950114747.db2.gz QRNQJIGCYAQWHD-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493018 950114784 /nfs/dbraw/zinc/11/47/84/950114784.db2.gz QRNQJIGCYAQWHD-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575905729 950297539 /nfs/dbraw/zinc/29/75/39/950297539.db2.gz DTQRRNYXLYQTNM-BDJLRTHQSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575908870 950383342 /nfs/dbraw/zinc/38/33/42/950383342.db2.gz WOBLBCVZWUHFTH-OCCSQVGLSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199228 950419472 /nfs/dbraw/zinc/41/94/72/950419472.db2.gz XPDKGRLMFANDQV-ZDUSSCGKSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199228 950419478 /nfs/dbraw/zinc/41/94/78/950419478.db2.gz XPDKGRLMFANDQV-ZDUSSCGKSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199228 950419486 /nfs/dbraw/zinc/41/94/86/950419486.db2.gz XPDKGRLMFANDQV-ZDUSSCGKSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199228 950419494 /nfs/dbraw/zinc/41/94/94/950419494.db2.gz XPDKGRLMFANDQV-ZDUSSCGKSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001574523683 950822417 /nfs/dbraw/zinc/82/24/17/950822417.db2.gz PFZMAEIHDBQAGL-LSDHHAIUSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574524132 950845962 /nfs/dbraw/zinc/84/59/62/950845962.db2.gz UCKZVPIZIBWWKF-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574524464 950862081 /nfs/dbraw/zinc/86/20/81/950862081.db2.gz WTCVIMXBAXXTQO-KBPBESRZSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575091129 951769675 /nfs/dbraw/zinc/76/96/75/951769675.db2.gz NVDBHNNMPIYCIP-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575101070 951854034 /nfs/dbraw/zinc/85/40/34/951854034.db2.gz YWLZBLYYDWURDE-LBPRGKRZSA-N 2 2 388.501 1.231 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119911 952497077 /nfs/dbraw/zinc/49/70/77/952497077.db2.gz GWNYDKFHXFZHCB-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119911 952497081 /nfs/dbraw/zinc/49/70/81/952497081.db2.gz GWNYDKFHXFZHCB-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119911 952497087 /nfs/dbraw/zinc/49/70/87/952497087.db2.gz GWNYDKFHXFZHCB-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119911 952497091 /nfs/dbraw/zinc/49/70/91/952497091.db2.gz GWNYDKFHXFZHCB-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167187 952771339 /nfs/dbraw/zinc/77/13/39/952771339.db2.gz XRPJKNSSCYCGKS-CZUORRHYSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167187 952771342 /nfs/dbraw/zinc/77/13/42/952771342.db2.gz XRPJKNSSCYCGKS-CZUORRHYSA-N 2 2 380.456 1.302 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571172357 952805468 /nfs/dbraw/zinc/80/54/68/952805468.db2.gz TVUTVGZDUJZRCS-HZPDHXFCSA-N 2 2 380.456 1.350 20 0 GDADLP Cc1csc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)n1 ZINC000117383358 530912253 /nfs/dbraw/zinc/91/22/53/530912253.db2.gz MYJRDVYQAPNIQG-UHFFFAOYSA-N 2 2 381.527 1.088 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246218704 531065067 /nfs/dbraw/zinc/06/50/67/531065067.db2.gz FHWYFXLUUHVFFE-CGTJXYLNSA-N 2 2 375.579 1.620 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246218704 531065070 /nfs/dbraw/zinc/06/50/70/531065070.db2.gz FHWYFXLUUHVFFE-CGTJXYLNSA-N 2 2 375.579 1.620 20 0 GDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261823896 531100245 /nfs/dbraw/zinc/10/02/45/531100245.db2.gz SWVQGBHYBUDORD-KRWDZBQOSA-N 2 2 397.317 1.031 20 0 GDADLP CCOCC[NH+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261886190 531101196 /nfs/dbraw/zinc/10/11/96/531101196.db2.gz ZSNHPOIBBRMUNM-KRWDZBQOSA-N 2 2 384.318 1.804 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143971 531146744 /nfs/dbraw/zinc/14/67/44/531146744.db2.gz HWOTWRUSAFTBDU-IJEWVQPXSA-N 2 2 387.571 1.587 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143971 531146748 /nfs/dbraw/zinc/14/67/48/531146748.db2.gz HWOTWRUSAFTBDU-IJEWVQPXSA-N 2 2 387.571 1.587 20 0 GDADLP CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435627830 531265220 /nfs/dbraw/zinc/26/52/20/531265220.db2.gz OVDBNVXBBCKCQF-LBPRGKRZSA-N 2 2 388.921 1.390 20 0 GDADLP CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000435627830 531265224 /nfs/dbraw/zinc/26/52/24/531265224.db2.gz OVDBNVXBBCKCQF-LBPRGKRZSA-N 2 2 388.921 1.390 20 0 GDADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486023648 531444294 /nfs/dbraw/zinc/44/42/94/531444294.db2.gz RPQQHYHVAPFQRS-OAHLLOKOSA-N 2 2 382.302 1.854 20 0 GDADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486023648 531444298 /nfs/dbraw/zinc/44/42/98/531444298.db2.gz RPQQHYHVAPFQRS-OAHLLOKOSA-N 2 2 382.302 1.854 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000486037742 531444367 /nfs/dbraw/zinc/44/43/67/531444367.db2.gz SKVBYMYBKMUOJA-ZDUSSCGKSA-N 2 2 396.285 1.574 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000486037742 531444370 /nfs/dbraw/zinc/44/43/70/531444370.db2.gz SKVBYMYBKMUOJA-ZDUSSCGKSA-N 2 2 396.285 1.574 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486472342 531451984 /nfs/dbraw/zinc/45/19/84/531451984.db2.gz SVYADPOFAUFSPQ-CYBMUJFWSA-N 2 2 384.933 1.256 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486472342 531451987 /nfs/dbraw/zinc/45/19/87/531451987.db2.gz SVYADPOFAUFSPQ-CYBMUJFWSA-N 2 2 384.933 1.256 20 0 GDADLP CCOc1cc(C[NH2+][C@@H](C)C[NH3+])cc(Br)c1OCC(=O)N(C)C ZINC000414942807 531463957 /nfs/dbraw/zinc/46/39/57/531463957.db2.gz KUSFMVWFINUGHJ-NSHDSACASA-N 2 2 388.306 1.752 20 0 GDADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414993912 531464505 /nfs/dbraw/zinc/46/45/05/531464505.db2.gz UVPJMPDOFNRUBC-CYBMUJFWSA-N 3 2 376.389 1.829 20 0 GDADLP Cn1cc(Br)c(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)n1 ZINC000560021209 531618531 /nfs/dbraw/zinc/61/85/31/531618531.db2.gz ZYIHWNFSZKVWKU-UHFFFAOYSA-N 2 2 398.349 1.863 20 0 GDADLP COc1ncc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1Br ZINC000638985190 531680683 /nfs/dbraw/zinc/68/06/83/531680683.db2.gz BUXYOWRDWBMVMM-UHFFFAOYSA-N 2 2 392.257 1.910 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000667040360 531770284 /nfs/dbraw/zinc/77/02/84/531770284.db2.gz BPHIQHGPPZXDMT-CQSZACIVSA-N 2 2 390.289 1.984 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000667040360 531770292 /nfs/dbraw/zinc/77/02/92/531770292.db2.gz BPHIQHGPPZXDMT-CQSZACIVSA-N 2 2 390.289 1.984 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCCN(Cc3c[nH+]c4ccc(Br)cn34)C2)nn1 ZINC000667040360 531770301 /nfs/dbraw/zinc/77/03/01/531770301.db2.gz BPHIQHGPPZXDMT-CQSZACIVSA-N 2 2 390.289 1.984 20 0 GDADLP COC(=O)[C@H]1C[NH2+]CCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000592434738 531786435 /nfs/dbraw/zinc/78/64/35/531786435.db2.gz NZNCGFKEUOPAKC-CQSZACIVSA-N 2 2 381.274 1.742 20 0 GDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H](C[NH3+])C1 ZINC000563534897 531849843 /nfs/dbraw/zinc/84/98/43/531849843.db2.gz UXJLYWZJPPITPA-STQMWFEESA-N 2 2 385.295 1.448 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[nH+]c12 ZINC000419045905 531889553 /nfs/dbraw/zinc/88/95/53/531889553.db2.gz UJDOKSURXHRXJV-ZDUSSCGKSA-N 2 2 396.289 1.121 20 0 GDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000569474442 531922771 /nfs/dbraw/zinc/92/27/71/531922771.db2.gz FKXFGLDUQCHCHH-HOTGVXAUSA-N 2 2 387.318 1.889 20 0 GDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000569474442 531922776 /nfs/dbraw/zinc/92/27/76/531922776.db2.gz FKXFGLDUQCHCHH-HOTGVXAUSA-N 2 2 387.318 1.889 20 0 GDADLP O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000571073264 531949956 /nfs/dbraw/zinc/94/99/56/531949956.db2.gz OFGOUAMYKJPWBW-FRFSOERESA-N 2 2 385.555 1.115 20 0 GDADLP [NH3+]CCCNC(=O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000419836950 531976546 /nfs/dbraw/zinc/97/65/46/531976546.db2.gz YYMSMPWPWLLSAF-UHFFFAOYSA-N 2 2 387.311 1.145 20 0 GDADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1C(F)(F)F ZINC000629580369 531984878 /nfs/dbraw/zinc/98/48/78/531984878.db2.gz WHWMOIAWVGZUDT-CYBMUJFWSA-N 2 2 380.432 1.655 20 0 GDADLP CCOC[C@@H](C)CS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000579467509 532060803 /nfs/dbraw/zinc/06/08/03/532060803.db2.gz IIVRRSYYDUKNRI-QGZVFWFLSA-N 2 2 375.579 1.481 20 0 GDADLP CCOC[C@@H](C)CS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000579467509 532060811 /nfs/dbraw/zinc/06/08/11/532060811.db2.gz IIVRRSYYDUKNRI-QGZVFWFLSA-N 2 2 375.579 1.481 20 0 GDADLP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000423108185 532072673 /nfs/dbraw/zinc/07/26/73/532072673.db2.gz FOSRKLFQNUXOOO-ZBFHGGJFSA-N 2 2 391.896 1.114 20 0 GDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000735882682 598344786 /nfs/dbraw/zinc/34/47/86/598344786.db2.gz RSTSXJVBARXHQA-SFHVURJKSA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000735882682 598344789 /nfs/dbraw/zinc/34/47/89/598344789.db2.gz RSTSXJVBARXHQA-SFHVURJKSA-N 2 2 385.516 1.094 20 0 GDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)ccn2)CC1 ZINC000821628916 607473693 /nfs/dbraw/zinc/47/36/93/607473693.db2.gz UQFGLOHPWWXVHW-UHFFFAOYSA-N 2 2 382.447 1.442 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478036 606622485 /nfs/dbraw/zinc/62/24/85/606622485.db2.gz PCZQLHYHPZUXGI-HNNXBMFYSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478036 606622487 /nfs/dbraw/zinc/62/24/87/606622487.db2.gz PCZQLHYHPZUXGI-HNNXBMFYSA-N 2 2 380.456 1.865 20 0 GDADLP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243181 606679140 /nfs/dbraw/zinc/67/91/40/606679140.db2.gz ZVGNCFAFLRQMRA-MAUKXSAKSA-N 2 2 398.515 1.034 20 0 GDADLP CC[N@H+]1C[C@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243181 606679141 /nfs/dbraw/zinc/67/91/41/606679141.db2.gz ZVGNCFAFLRQMRA-MAUKXSAKSA-N 2 2 398.515 1.034 20 0 GDADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438617 606794957 /nfs/dbraw/zinc/79/49/57/606794957.db2.gz TUGJHQMGYRLGHX-CQSZACIVSA-N 2 2 379.472 1.259 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826390215 608453646 /nfs/dbraw/zinc/45/36/46/608453646.db2.gz TVMMPBNYZZSJAK-SFHVURJKSA-N 2 2 399.499 1.050 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826390215 608453648 /nfs/dbraw/zinc/45/36/48/608453648.db2.gz TVMMPBNYZZSJAK-SFHVURJKSA-N 2 2 399.499 1.050 20 0 GDADLP CC[NH+]1CCC(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825451262 608459998 /nfs/dbraw/zinc/45/99/98/608459998.db2.gz HQJOKORJONTWEB-UHFFFAOYSA-N 2 2 395.511 1.556 20 0 GDADLP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000825451262 608460001 /nfs/dbraw/zinc/46/00/01/608460001.db2.gz HQJOKORJONTWEB-UHFFFAOYSA-N 2 2 395.511 1.556 20 0 GDADLP C[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000826044932 608526712 /nfs/dbraw/zinc/52/67/12/608526712.db2.gz NAOIKCUZVSSAEN-UHFFFAOYSA-N 2 2 379.472 1.041 20 0 GDADLP C[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000826044932 608526714 /nfs/dbraw/zinc/52/67/14/608526714.db2.gz NAOIKCUZVSSAEN-UHFFFAOYSA-N 2 2 379.472 1.041 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547126 609143906 /nfs/dbraw/zinc/14/39/06/609143906.db2.gz MSLMHJFUFJAVGY-GOEBONIOSA-N 2 2 389.479 1.063 20 0 GDADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)c1cccc2[nH+]ccn21 ZINC000825866103 609186313 /nfs/dbraw/zinc/18/63/13/609186313.db2.gz REOLVNUZKUIBKZ-UHFFFAOYSA-N 2 2 390.451 1.718 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545861 609335490 /nfs/dbraw/zinc/33/54/90/609335490.db2.gz DYQSDKRMGSNPCP-GOEBONIOSA-N 2 2 389.479 1.063 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229172 644331343 /nfs/dbraw/zinc/33/13/43/644331343.db2.gz LZPOGAGAQDHZJL-UKRRQHHQSA-N 2 2 386.949 1.778 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229172 644331349 /nfs/dbraw/zinc/33/13/49/644331349.db2.gz LZPOGAGAQDHZJL-UKRRQHHQSA-N 2 2 386.949 1.778 20 0 GDADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379060 645942144 /nfs/dbraw/zinc/94/21/44/645942144.db2.gz AKZJRWOPQXOUTB-XJKSGUPXSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379060 645942146 /nfs/dbraw/zinc/94/21/46/645942146.db2.gz AKZJRWOPQXOUTB-XJKSGUPXSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423098681 646113714 /nfs/dbraw/zinc/11/37/14/646113714.db2.gz DGHPJKNLSWZWJE-RISCZKNCSA-N 2 2 380.432 1.966 20 0 GDADLP Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000470007755 647719641 /nfs/dbraw/zinc/71/96/41/647719641.db2.gz CZEGEHMXJFYVPL-CYBMUJFWSA-N 2 2 394.317 1.692 20 0 GDADLP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000470007755 647719642 /nfs/dbraw/zinc/71/96/42/647719642.db2.gz CZEGEHMXJFYVPL-CYBMUJFWSA-N 2 2 394.317 1.692 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000576358152 651656924 /nfs/dbraw/zinc/65/69/24/651656924.db2.gz KFKBGTUYSUWKNY-AWEZNQCLSA-N 2 2 382.306 1.629 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000576358152 651656927 /nfs/dbraw/zinc/65/69/27/651656927.db2.gz KFKBGTUYSUWKNY-AWEZNQCLSA-N 2 2 382.306 1.629 20 0 GDADLP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000580181531 651902258 /nfs/dbraw/zinc/90/22/58/651902258.db2.gz KXVNQKOWHIFXEC-UKRRQHHQSA-N 2 2 375.922 1.667 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1n[nH]cc1Br ZINC000606694559 652776903 /nfs/dbraw/zinc/77/69/03/652776903.db2.gz AMIDYBZFVMXMKR-UHFFFAOYSA-N 2 2 387.326 1.340 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1n[nH]cc1Br ZINC000606694559 652776907 /nfs/dbraw/zinc/77/69/07/652776907.db2.gz AMIDYBZFVMXMKR-UHFFFAOYSA-N 2 2 387.326 1.340 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CC[NH2+][C@H]3C)[nH+]c12 ZINC000627013716 653066738 /nfs/dbraw/zinc/06/67/38/653066738.db2.gz OPDYIOZUEDTIPN-SMDDNHRTSA-N 2 2 380.290 1.997 20 0 GDADLP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000629519609 653168069 /nfs/dbraw/zinc/16/80/69/653168069.db2.gz GTVJRNZFNIMAIJ-CQSZACIVSA-N 2 2 375.922 1.797 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1Cl ZINC000643888139 653592133 /nfs/dbraw/zinc/59/21/33/653592133.db2.gz ZHVTYRBMBDTXPN-CQSZACIVSA-N 2 2 387.933 1.578 20 0 GDADLP C[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655696753 653990481 /nfs/dbraw/zinc/99/04/81/653990481.db2.gz KHVBSDMNTGQCKF-HOTGVXAUSA-N 2 2 384.571 1.407 20 0 GDADLP COCC[N@@H+]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662473081 654295235 /nfs/dbraw/zinc/29/52/35/654295235.db2.gz HVMLXIRHPWPHBI-UHFFFAOYSA-N 2 2 388.331 1.908 20 0 GDADLP COCC[N@H+]1CCCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662473081 654295238 /nfs/dbraw/zinc/29/52/38/654295238.db2.gz HVMLXIRHPWPHBI-UHFFFAOYSA-N 2 2 388.331 1.908 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccnc1I ZINC000857308608 655734135 /nfs/dbraw/zinc/73/41/35/655734135.db2.gz PILWDUKMCGYKPA-UHFFFAOYSA-N 2 2 390.269 1.300 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccnc1I ZINC000857308608 655734137 /nfs/dbraw/zinc/73/41/37/655734137.db2.gz PILWDUKMCGYKPA-UHFFFAOYSA-N 2 2 390.269 1.300 20 0 GDADLP CSC(C)(C)CC[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000876937086 656641199 /nfs/dbraw/zinc/64/11/99/656641199.db2.gz PPIWBBUKJLGWGZ-UHFFFAOYSA-N 2 2 386.587 1.655 20 0 GDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cc3c(cc2Br)OCCO3)CC1 ZINC000925909261 656725850 /nfs/dbraw/zinc/72/58/50/656725850.db2.gz GEGPOCPYJGLETC-UHFFFAOYSA-N 2 2 399.289 1.765 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884218300 657336001 /nfs/dbraw/zinc/33/60/01/657336001.db2.gz KNYWLUBDWOGZEJ-MRXNPFEDSA-N 2 2 397.317 1.118 20 0 GDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235029 657339191 /nfs/dbraw/zinc/33/91/91/657339191.db2.gz LENROMHSOMMMDD-PBHICJAKSA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235029 657339196 /nfs/dbraw/zinc/33/91/96/657339196.db2.gz LENROMHSOMMMDD-PBHICJAKSA-N 2 2 397.361 1.839 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000895248123 658679028 /nfs/dbraw/zinc/67/90/28/658679028.db2.gz LARANVVHMGQLIT-AWEZNQCLSA-N 2 2 380.290 1.434 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000895248123 658679037 /nfs/dbraw/zinc/67/90/37/658679037.db2.gz LARANVVHMGQLIT-AWEZNQCLSA-N 2 2 380.290 1.434 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1c(Br)cnn1C ZINC000900693544 659137475 /nfs/dbraw/zinc/13/74/75/659137475.db2.gz WKXVCNQFBFOCGS-UHFFFAOYSA-N 2 2 386.338 1.210 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1c(Br)cnn1C ZINC000900693544 659137479 /nfs/dbraw/zinc/13/74/79/659137479.db2.gz WKXVCNQFBFOCGS-UHFFFAOYSA-N 2 2 386.338 1.210 20 0 GDADLP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903229179 659307164 /nfs/dbraw/zinc/30/71/64/659307164.db2.gz FFCZIWMSSJOPBQ-ZDUSSCGKSA-N 2 2 384.527 1.889 20 0 GDADLP COc1ccc(C)[nH+]c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164718325 720180724 /nfs/dbraw/zinc/18/07/24/720180724.db2.gz ONZLGEOJXSSVAN-KRWDZBQOSA-N 2 2 386.500 1.743 20 0 GDADLP c1cn(Cc2nnn3c2CN(c2ccc(C[NH+]4CCCC4)cn2)CCC3)c[nH+]1 ZINC001164826824 720399849 /nfs/dbraw/zinc/39/98/49/720399849.db2.gz DAQRPRGBIJAVMT-UHFFFAOYSA-N 2 2 378.484 1.924 20 0 GDADLP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164865922 721110371 /nfs/dbraw/zinc/11/03/71/721110371.db2.gz PWMHIKREACAZNF-MOPGFXCFSA-N 2 2 396.495 1.188 20 0 GDADLP c1cncc(CO[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164865922 721110375 /nfs/dbraw/zinc/11/03/75/721110375.db2.gz PWMHIKREACAZNF-MOPGFXCFSA-N 2 2 396.495 1.188 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164771779 721154155 /nfs/dbraw/zinc/15/41/55/721154155.db2.gz TXGROHHEZHPMMQ-GJZGRUSLSA-N 2 2 395.467 1.436 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164771779 721154159 /nfs/dbraw/zinc/15/41/59/721154159.db2.gz TXGROHHEZHPMMQ-GJZGRUSLSA-N 2 2 395.467 1.436 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164772241 721162923 /nfs/dbraw/zinc/16/29/23/721162923.db2.gz UQKMSRJNBTUXAB-ZWKOTPCHSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164772241 721162933 /nfs/dbraw/zinc/16/29/33/721162933.db2.gz UQKMSRJNBTUXAB-ZWKOTPCHSA-N 2 2 383.500 1.005 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164782343 721417247 /nfs/dbraw/zinc/41/72/47/721417247.db2.gz FSNUAHDSMNKDQX-CALCHBBNSA-N 3 2 384.553 1.858 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164782343 721417249 /nfs/dbraw/zinc/41/72/49/721417249.db2.gz FSNUAHDSMNKDQX-CALCHBBNSA-N 3 2 384.553 1.858 20 0 GDADLP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164910304 721543538 /nfs/dbraw/zinc/54/35/38/721543538.db2.gz UCRNAZRLQSHNGY-HKUYNNGSSA-N 2 2 399.470 1.794 20 0 GDADLP Fc1cccc(O[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164910304 721543540 /nfs/dbraw/zinc/54/35/40/721543540.db2.gz UCRNAZRLQSHNGY-HKUYNNGSSA-N 2 2 399.470 1.794 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001165010055 721710162 /nfs/dbraw/zinc/71/01/62/721710162.db2.gz YENKXNBOMBRKCW-UHFFFAOYSA-N 2 2 385.516 1.760 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cccc(N3CCOCC3)[nH+]1)C2 ZINC001165010055 721710164 /nfs/dbraw/zinc/71/01/64/721710164.db2.gz YENKXNBOMBRKCW-UHFFFAOYSA-N 2 2 385.516 1.760 20 0 GDADLP CN(C)c1cccc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164911453 721770845 /nfs/dbraw/zinc/77/08/45/721770845.db2.gz GSZYKZISZBBLGN-OAQYLSRUSA-N 2 2 383.496 1.650 20 0 GDADLP CN(C)c1cccc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164911453 721770848 /nfs/dbraw/zinc/77/08/48/721770848.db2.gz GSZYKZISZBBLGN-OAQYLSRUSA-N 2 2 383.496 1.650 20 0 GDADLP CCOc1cc[nH+]c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914876 721782057 /nfs/dbraw/zinc/78/20/57/721782057.db2.gz GVIFSLXLSGSUOO-NRFANRHFSA-N 2 2 384.480 1.983 20 0 GDADLP CCOc1cc[nH+]c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914876 721782059 /nfs/dbraw/zinc/78/20/59/721782059.db2.gz GVIFSLXLSGSUOO-NRFANRHFSA-N 2 2 384.480 1.983 20 0 GDADLP C[NH+]1CCN(c2ncnc3c2CCN(c2nc(N4CCCC4)cc[nH+]2)CC3)CC1 ZINC001164996045 722228809 /nfs/dbraw/zinc/22/88/09/722228809.db2.gz BKDKCEPJKNIBIX-UHFFFAOYSA-N 2 2 394.527 1.224 20 0 GDADLP Cc1nc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)c2c([nH+]1)CCC2 ZINC001164997623 722236008 /nfs/dbraw/zinc/23/60/08/722236008.db2.gz SHXCZFATPQXLTC-UHFFFAOYSA-N 2 2 379.512 1.421 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295454 946164087 /nfs/dbraw/zinc/16/40/87/946164087.db2.gz TWRUFSXWYHTPKN-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295454 946164095 /nfs/dbraw/zinc/16/40/95/946164095.db2.gz TWRUFSXWYHTPKN-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295454 946164100 /nfs/dbraw/zinc/16/41/00/946164100.db2.gz TWRUFSXWYHTPKN-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295454 946164106 /nfs/dbraw/zinc/16/41/06/946164106.db2.gz TWRUFSXWYHTPKN-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@H](C)C1 ZINC000823972416 946530162 /nfs/dbraw/zinc/53/01/62/946530162.db2.gz ANPZAUHZQPGBPD-FOIQADDNSA-N 2 2 397.527 1.678 20 0 GDADLP C[C@@H]1C[C@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899465 946980392 /nfs/dbraw/zinc/98/03/92/946980392.db2.gz KCDRVSJZKLGVSD-NIKGAXFTSA-N 2 2 395.511 1.430 20 0 GDADLP COCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826159562 947503940 /nfs/dbraw/zinc/50/39/40/947503940.db2.gz KBNKHKPDJUGSEN-UHFFFAOYSA-N 2 2 396.499 1.468 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574481982 949813204 /nfs/dbraw/zinc/81/32/04/949813204.db2.gz YHYUZYPNUTYWRQ-QWHCGFSZSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574724966 949889212 /nfs/dbraw/zinc/88/92/12/949889212.db2.gz NAGRRKBGTXOGAV-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cc[nH+]c1 ZINC001574497650 950232731 /nfs/dbraw/zinc/23/27/31/950232731.db2.gz AMLASWWTQCWOQU-CQSZACIVSA-N 2 2 380.456 1.453 20 0 GDADLP C[C@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202559 950428781 /nfs/dbraw/zinc/42/87/81/950428781.db2.gz AVXCLBKLHHWMEZ-LSDHHAIUSA-N 2 2 386.504 1.111 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206310 950569494 /nfs/dbraw/zinc/56/94/94/950569494.db2.gz WFRJZNUTMQNPHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206310 950569509 /nfs/dbraw/zinc/56/95/09/950569509.db2.gz WFRJZNUTMQNPHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206310 950569528 /nfs/dbraw/zinc/56/95/28/950569528.db2.gz WFRJZNUTMQNPHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206310 950569546 /nfs/dbraw/zinc/56/95/46/950569546.db2.gz WFRJZNUTMQNPHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001576208936 950622291 /nfs/dbraw/zinc/62/22/91/950622291.db2.gz VGDQKNXMOPDDOK-UHFFFAOYSA-N 2 2 389.479 1.286 20 0 GDADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001576208936 950622314 /nfs/dbraw/zinc/62/23/14/950622314.db2.gz VGDQKNXMOPDDOK-UHFFFAOYSA-N 2 2 389.479 1.286 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574518967 950663979 /nfs/dbraw/zinc/66/39/79/950663979.db2.gz SCLMRFINNIHSRN-UPJWGTAASA-N 2 2 386.485 1.513 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574523457 950815408 /nfs/dbraw/zinc/81/54/08/950815408.db2.gz NSKPBFHWGVPXLD-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524496 950863057 /nfs/dbraw/zinc/86/30/57/950863057.db2.gz XKGJURKMUSVXKU-NEPJUHHUSA-N 2 2 388.501 1.277 20 0 GDADLP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001574772127 950956474 /nfs/dbraw/zinc/95/64/74/950956474.db2.gz PSMHHEJQSAZCNZ-DYVFJYSZSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001574772127 950956487 /nfs/dbraw/zinc/95/64/87/950956487.db2.gz PSMHHEJQSAZCNZ-DYVFJYSZSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574772127 950956507 /nfs/dbraw/zinc/95/65/07/950956507.db2.gz PSMHHEJQSAZCNZ-DYVFJYSZSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574772127 950956518 /nfs/dbraw/zinc/95/65/18/950956518.db2.gz PSMHHEJQSAZCNZ-DYVFJYSZSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001575098167 951820866 /nfs/dbraw/zinc/82/08/66/951820866.db2.gz BSFHSKRNFFBLRD-QWHCGFSZSA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1 ZINC001575201656 952506354 /nfs/dbraw/zinc/50/63/54/952506354.db2.gz JVUSSMPBUKCOHR-UONOGXRCSA-N 2 2 382.472 1.405 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235171 953209801 /nfs/dbraw/zinc/20/98/01/953209801.db2.gz VVTMBTDGUQQJBY-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235171 953209802 /nfs/dbraw/zinc/20/98/02/953209802.db2.gz VVTMBTDGUQQJBY-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235171 953209804 /nfs/dbraw/zinc/20/98/04/953209804.db2.gz VVTMBTDGUQQJBY-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235171 953209805 /nfs/dbraw/zinc/20/98/05/953209805.db2.gz VVTMBTDGUQQJBY-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239947 953244986 /nfs/dbraw/zinc/24/49/86/953244986.db2.gz VGBBZCUHYXZZNP-HNNXBMFYSA-N 2 2 384.419 1.004 20 0 GDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239947 953244988 /nfs/dbraw/zinc/24/49/88/953244988.db2.gz VGBBZCUHYXZZNP-HNNXBMFYSA-N 2 2 384.419 1.004 20 0 GDADLP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571252919 953333945 /nfs/dbraw/zinc/33/39/45/953333945.db2.gz ZAABCDQAXWAHCZ-USXIJHARSA-N 2 2 384.488 1.172 20 0 GDADLP C[NH+]1CCC(CNc2nc[nH+]c(NCC3CC[NH+](C)CC3)c2C(=O)[O-])CC1 ZINC001598583826 993354914 /nfs/dbraw/zinc/35/49/14/993354914.db2.gz NCODFEZLNUDWHS-UHFFFAOYSA-N 2 2 376.505 1.682 20 0 GDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@H](C[NH3+])C1 ZINC000162300530 530567587 /nfs/dbraw/zinc/56/75/87/530567587.db2.gz HMOWANZZJPRXSH-OAHLLOKOSA-N 2 2 378.274 1.350 20 0 GDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@H](C[NH3+])C1 ZINC000162300530 530567590 /nfs/dbraw/zinc/56/75/90/530567590.db2.gz HMOWANZZJPRXSH-OAHLLOKOSA-N 2 2 378.274 1.350 20 0 GDADLP C[N@@H+]1CCN(Cc2ncc(Br)cc2Br)[C@@H](C[NH3+])C1 ZINC000228263195 531032967 /nfs/dbraw/zinc/03/29/67/531032967.db2.gz UHQQVEPRWBQPKZ-JTQLQIEISA-N 2 2 378.112 1.681 20 0 GDADLP C[N@H+]1CCN(Cc2ncc(Br)cc2Br)[C@@H](C[NH3+])C1 ZINC000228263195 531032970 /nfs/dbraw/zinc/03/29/70/531032970.db2.gz UHQQVEPRWBQPKZ-JTQLQIEISA-N 2 2 378.112 1.681 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130512968 531061639 /nfs/dbraw/zinc/06/16/39/531061639.db2.gz QGNKYJJKVLEFFK-BZPMIXESSA-N 2 2 386.484 1.166 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130512968 531061641 /nfs/dbraw/zinc/06/16/41/531061641.db2.gz QGNKYJJKVLEFFK-BZPMIXESSA-N 2 2 386.484 1.166 20 0 GDADLP Cc1ncc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000237856060 531051726 /nfs/dbraw/zinc/05/17/26/531051726.db2.gz CVONGQPECZSQLW-UHFFFAOYSA-N 2 2 381.527 1.088 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143885 531147204 /nfs/dbraw/zinc/14/72/04/531147204.db2.gz HWOTWRUSAFTBDU-IIAWOOMASA-N 2 2 387.571 1.587 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143885 531147207 /nfs/dbraw/zinc/14/72/07/531147207.db2.gz HWOTWRUSAFTBDU-IIAWOOMASA-N 2 2 387.571 1.587 20 0 GDADLP O=C(C[N@@H+](CCO)[C@H]1CCCSC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000433195215 531217239 /nfs/dbraw/zinc/21/72/39/531217239.db2.gz RWSOMBBTJBTMGZ-KRWDZBQOSA-N 2 2 383.583 1.582 20 0 GDADLP O=C(C[N@H+](CCO)[C@H]1CCCSC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000433195215 531217242 /nfs/dbraw/zinc/21/72/42/531217242.db2.gz RWSOMBBTJBTMGZ-KRWDZBQOSA-N 2 2 383.583 1.582 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436069569 531275395 /nfs/dbraw/zinc/27/53/95/531275395.db2.gz YLLQGRDDCHTDKU-ZDUSSCGKSA-N 2 2 386.949 1.679 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436069569 531275399 /nfs/dbraw/zinc/27/53/99/531275399.db2.gz YLLQGRDDCHTDKU-ZDUSSCGKSA-N 2 2 386.949 1.679 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000436052187 531273984 /nfs/dbraw/zinc/27/39/84/531273984.db2.gz CFIFCYOSKMUUSU-CYBMUJFWSA-N 2 2 398.305 1.102 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000436052187 531273989 /nfs/dbraw/zinc/27/39/89/531273989.db2.gz CFIFCYOSKMUUSU-CYBMUJFWSA-N 2 2 398.305 1.102 20 0 GDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007971 531393630 /nfs/dbraw/zinc/39/36/30/531393630.db2.gz PWFOATYCNWVCAG-HOCLYGCPSA-N 2 2 375.922 1.355 20 0 GDADLP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007971 531393633 /nfs/dbraw/zinc/39/36/33/531393633.db2.gz PWFOATYCNWVCAG-HOCLYGCPSA-N 2 2 375.922 1.355 20 0 GDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377929 531445569 /nfs/dbraw/zinc/44/55/69/531445569.db2.gz KJNXTFPFCYRVKN-IINYFYTJSA-N 2 2 388.331 1.669 20 0 GDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377929 531445576 /nfs/dbraw/zinc/44/55/76/531445576.db2.gz KJNXTFPFCYRVKN-IINYFYTJSA-N 2 2 388.331 1.669 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000363054474 531470548 /nfs/dbraw/zinc/47/05/48/531470548.db2.gz SWDMOUNYROYAME-LBPRGKRZSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000363054474 531470553 /nfs/dbraw/zinc/47/05/53/531470553.db2.gz SWDMOUNYROYAME-LBPRGKRZSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000658427556 531508697 /nfs/dbraw/zinc/50/86/97/531508697.db2.gz NEAXINLLKRCBOJ-UHFFFAOYSA-N 2 2 385.306 1.387 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Br)c1 ZINC000658427556 531508703 /nfs/dbraw/zinc/50/87/03/531508703.db2.gz NEAXINLLKRCBOJ-UHFFFAOYSA-N 2 2 385.306 1.387 20 0 GDADLP CC(C)[C@H]([NH3+])CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415809243 531534586 /nfs/dbraw/zinc/53/45/86/531534586.db2.gz SXNBGFOTFJRKHG-GFCCVEGCSA-N 2 2 386.294 1.786 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662382959 531676101 /nfs/dbraw/zinc/67/61/01/531676101.db2.gz GCIPKXGFUMMBNZ-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP [NH3+][C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1Br ZINC000662571374 531690526 /nfs/dbraw/zinc/69/05/26/531690526.db2.gz NBRANEIOKTWQEX-MQBCKMQZSA-N 2 2 395.345 1.782 20 0 GDADLP [NH3+][C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000662571374 531690534 /nfs/dbraw/zinc/69/05/34/531690534.db2.gz NBRANEIOKTWQEX-MQBCKMQZSA-N 2 2 395.345 1.782 20 0 GDADLP C[NH+](C)C1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000640253974 531728463 /nfs/dbraw/zinc/72/84/63/531728463.db2.gz BBBOHUZMFVTGHJ-UHFFFAOYSA-N 2 2 398.305 1.896 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@H](C[NH3+])C3)[nH+]c12 ZINC000418024014 531799946 /nfs/dbraw/zinc/79/99/46/531799946.db2.gz STPWQEKNXXVVHI-CQSZACIVSA-N 2 2 396.289 1.317 20 0 GDADLP Brc1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)nc1 ZINC000641787987 531852605 /nfs/dbraw/zinc/85/26/05/531852605.db2.gz GUCOMRIRYVVEAD-QGZVFWFLSA-N 2 2 383.334 1.730 20 0 GDADLP CS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641786913 531853485 /nfs/dbraw/zinc/85/34/85/531853485.db2.gz LJRUSOIFSKARKL-OAHLLOKOSA-N 2 2 387.571 1.038 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563595096 531856114 /nfs/dbraw/zinc/85/61/14/531856114.db2.gz QHGAEINANOUYTL-ZIAGYGMSSA-N 2 2 386.327 1.856 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563595096 531856118 /nfs/dbraw/zinc/85/61/18/531856118.db2.gz QHGAEINANOUYTL-ZIAGYGMSSA-N 2 2 386.327 1.856 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000563592605 531856984 /nfs/dbraw/zinc/85/69/84/531856984.db2.gz BWEMNPONARMSEA-DGCLKSJQSA-N 2 2 385.331 1.880 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000563592605 531856993 /nfs/dbraw/zinc/85/69/93/531856993.db2.gz BWEMNPONARMSEA-DGCLKSJQSA-N 2 2 385.331 1.880 20 0 GDADLP CC[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938346 531907682 /nfs/dbraw/zinc/90/76/82/531907682.db2.gz KKAHQORXKIHLDP-OCCSQVGLSA-N 2 2 397.317 1.563 20 0 GDADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938346 531907688 /nfs/dbraw/zinc/90/76/88/531907688.db2.gz KKAHQORXKIHLDP-OCCSQVGLSA-N 2 2 397.317 1.563 20 0 GDADLP [NH3+]C[C@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000568736248 531915198 /nfs/dbraw/zinc/91/51/98/531915198.db2.gz KRWPKFOEFQRSKS-LBPRGKRZSA-N 2 2 384.278 1.540 20 0 GDADLP O=C1N[C@@]2(CCC[NH2+]C2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000571759332 531954903 /nfs/dbraw/zinc/95/49/03/531954903.db2.gz LUKKFDJZPKDZKK-OAHLLOKOSA-N 2 2 378.230 1.271 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000657071548 531997220 /nfs/dbraw/zinc/99/72/20/531997220.db2.gz QATXKGTXXXCGMC-LBPRGKRZSA-N 2 2 382.452 1.651 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ncccc1C(F)(F)F ZINC000657071548 531997225 /nfs/dbraw/zinc/99/72/25/531997225.db2.gz QATXKGTXXXCGMC-LBPRGKRZSA-N 2 2 382.452 1.651 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1Br ZINC000657071767 531997254 /nfs/dbraw/zinc/99/72/54/531997254.db2.gz CYHGIEHIPQFTRI-ZDUSSCGKSA-N 2 2 392.363 1.999 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1Br ZINC000657071767 531997261 /nfs/dbraw/zinc/99/72/61/531997261.db2.gz CYHGIEHIPQFTRI-ZDUSSCGKSA-N 2 2 392.363 1.999 20 0 GDADLP COCCOC[C@@H](O)C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000577385374 532035709 /nfs/dbraw/zinc/03/57/09/532035709.db2.gz KNPWADFMQDMKAL-HNNXBMFYSA-N 2 2 386.290 1.561 20 0 GDADLP C[N@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1I ZINC000600736318 532053052 /nfs/dbraw/zinc/05/30/52/532053052.db2.gz XNTVCUJRIIODON-UHFFFAOYSA-N 2 2 377.226 1.137 20 0 GDADLP C[N@@H+](CCOCC[NH3+])CC(=O)Nc1ccccc1I ZINC000600736318 532053059 /nfs/dbraw/zinc/05/30/59/532053059.db2.gz XNTVCUJRIIODON-UHFFFAOYSA-N 2 2 377.226 1.137 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286783232 532175457 /nfs/dbraw/zinc/17/54/57/532175457.db2.gz XKLUTCQQJLNEEX-UHFFFAOYSA-N 2 2 378.901 1.521 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnc(Cl)c(F)c1 ZINC000286783232 532175461 /nfs/dbraw/zinc/17/54/61/532175461.db2.gz XKLUTCQQJLNEEX-UHFFFAOYSA-N 2 2 378.901 1.521 20 0 GDADLP C[NH2+][C@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333258084 532227106 /nfs/dbraw/zinc/22/71/06/532227106.db2.gz DNGGRDOKGUTLFM-LBPRGKRZSA-N 2 2 398.305 1.896 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333354759 532231362 /nfs/dbraw/zinc/23/13/62/532231362.db2.gz RXLWVBLYHISYMM-MSRIBSCDSA-N 2 2 382.262 1.020 20 0 GDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430588313 532251528 /nfs/dbraw/zinc/25/15/28/532251528.db2.gz DBVKTTIDXXGDQS-MRXNPFEDSA-N 2 2 385.306 1.467 20 0 GDADLP C[C@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000430624156 532252763 /nfs/dbraw/zinc/25/27/63/532252763.db2.gz IIVCTEHWQYIYNG-LBPRGKRZSA-N 2 2 387.311 1.534 20 0 GDADLP C[C@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000430624156 532252765 /nfs/dbraw/zinc/25/27/65/532252765.db2.gz IIVCTEHWQYIYNG-LBPRGKRZSA-N 2 2 387.311 1.534 20 0 GDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000430592276 532253258 /nfs/dbraw/zinc/25/32/58/532253258.db2.gz PXNZGRAUTFNWGR-RHSMWYFYSA-N 2 2 387.571 1.227 20 0 GDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430970989 532258425 /nfs/dbraw/zinc/25/84/25/532258425.db2.gz LXYSGEOVVGAHLZ-AWEZNQCLSA-N 2 2 384.318 1.828 20 0 GDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430970989 532258429 /nfs/dbraw/zinc/25/84/29/532258429.db2.gz LXYSGEOVVGAHLZ-AWEZNQCLSA-N 2 2 384.318 1.828 20 0 GDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132168 571046198 /nfs/dbraw/zinc/04/61/98/571046198.db2.gz MWCXIQQGPJOGIY-SOLBZPMBSA-N 2 2 385.516 1.942 20 0 GDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132168 571046200 /nfs/dbraw/zinc/04/62/00/571046200.db2.gz MWCXIQQGPJOGIY-SOLBZPMBSA-N 2 2 385.516 1.942 20 0 GDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132168 571046204 /nfs/dbraw/zinc/04/62/04/571046204.db2.gz MWCXIQQGPJOGIY-SOLBZPMBSA-N 2 2 385.516 1.942 20 0 GDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132168 571046207 /nfs/dbraw/zinc/04/62/07/571046207.db2.gz MWCXIQQGPJOGIY-SOLBZPMBSA-N 2 2 385.516 1.942 20 0 GDADLP CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851202 598974448 /nfs/dbraw/zinc/97/44/48/598974448.db2.gz GYASRQGGRZRXIJ-QGZVFWFLSA-N 2 2 398.515 1.177 20 0 GDADLP CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851202 598974450 /nfs/dbraw/zinc/97/44/50/598974450.db2.gz GYASRQGGRZRXIJ-QGZVFWFLSA-N 2 2 398.515 1.177 20 0 GDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392723 599011319 /nfs/dbraw/zinc/01/13/19/599011319.db2.gz GXFSTZODYQQGAC-VQTJNVASSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392723 599011321 /nfs/dbraw/zinc/01/13/21/599011321.db2.gz GXFSTZODYQQGAC-VQTJNVASSA-N 2 2 378.480 1.839 20 0 GDADLP COc1cc[nH+]c(N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)c1 ZINC000737158293 598250816 /nfs/dbraw/zinc/25/08/16/598250816.db2.gz DUFZDLWCPREZBT-UHFFFAOYSA-N 2 2 390.451 1.845 20 0 GDADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736532810 598517845 /nfs/dbraw/zinc/51/78/45/598517845.db2.gz DBVNINMMTKWQJB-QAPCUYQASA-N 2 2 395.515 1.778 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652969 598527231 /nfs/dbraw/zinc/52/72/31/598527231.db2.gz ZRMLWSIZZDFSER-OLZOCXBDSA-N 2 2 396.503 1.204 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237015 598716677 /nfs/dbraw/zinc/71/66/77/598716677.db2.gz NJQORSJLMHEAOB-IYBDPMFKSA-N 2 2 387.507 1.996 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237015 598716679 /nfs/dbraw/zinc/71/66/79/598716679.db2.gz NJQORSJLMHEAOB-IYBDPMFKSA-N 2 2 387.507 1.996 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)c2)C1 ZINC000822859093 599435300 /nfs/dbraw/zinc/43/53/00/599435300.db2.gz FMRYNZLRVRKMER-MRXNPFEDSA-N 2 2 395.467 1.447 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820657021 599676268 /nfs/dbraw/zinc/67/62/68/599676268.db2.gz ICUFFPBDHULAPA-QAPCUYQASA-N 2 2 398.515 1.177 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@H+]1C ZINC000820657021 599676269 /nfs/dbraw/zinc/67/62/69/599676269.db2.gz ICUFFPBDHULAPA-QAPCUYQASA-N 2 2 398.515 1.177 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)CC2)CC1 ZINC000824297126 607472600 /nfs/dbraw/zinc/47/26/00/607472600.db2.gz QRTGEAGQLHAHSK-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243179 606679236 /nfs/dbraw/zinc/67/92/36/606679236.db2.gz ZVGNCFAFLRQMRA-CRAIPNDOSA-N 2 2 398.515 1.034 20 0 GDADLP CC[N@H+]1C[C@@H](C)[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243179 606679237 /nfs/dbraw/zinc/67/92/37/606679237.db2.gz ZVGNCFAFLRQMRA-CRAIPNDOSA-N 2 2 398.515 1.034 20 0 GDADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000820722118 607097853 /nfs/dbraw/zinc/09/78/53/607097853.db2.gz FXAZBDZBZNEFNC-FHLIZLRMSA-N 2 2 392.467 1.752 20 0 GDADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000820722118 607097854 /nfs/dbraw/zinc/09/78/54/607097854.db2.gz FXAZBDZBZNEFNC-FHLIZLRMSA-N 2 2 392.467 1.752 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826389554 608436066 /nfs/dbraw/zinc/43/60/66/608436066.db2.gz ATFYVJVHHWOXAX-KRWDZBQOSA-N 2 2 392.467 1.333 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826389554 608436067 /nfs/dbraw/zinc/43/60/67/608436067.db2.gz ATFYVJVHHWOXAX-KRWDZBQOSA-N 2 2 392.467 1.333 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826330719 608454156 /nfs/dbraw/zinc/45/41/56/608454156.db2.gz FSOCDLPHEDQPOV-UHFFFAOYSA-N 2 2 379.428 1.944 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2ccc(-c3nn[nH]n3)cc2)o1 ZINC000826330719 608454158 /nfs/dbraw/zinc/45/41/58/608454158.db2.gz FSOCDLPHEDQPOV-UHFFFAOYSA-N 2 2 379.428 1.944 20 0 GDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)C1 ZINC000824300926 608685303 /nfs/dbraw/zinc/68/53/03/608685303.db2.gz NELWECAMERPXEC-INIZCTEOSA-N 2 2 391.545 1.155 20 0 GDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)C1 ZINC000824300926 608685305 /nfs/dbraw/zinc/68/53/05/608685305.db2.gz NELWECAMERPXEC-INIZCTEOSA-N 2 2 391.545 1.155 20 0 GDADLP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)CC1 ZINC000547312761 650494756 /nfs/dbraw/zinc/49/47/56/650494756.db2.gz XYHWNQUSLHRQTH-UHFFFAOYSA-N 2 2 381.951 1.380 20 0 GDADLP CC(=O)c1ccc(Cl)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000131914975 644747470 /nfs/dbraw/zinc/74/74/70/644747470.db2.gz HCXIEWPTNBNKPM-UHFFFAOYSA-N 2 2 375.922 1.657 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000918197033 660231684 /nfs/dbraw/zinc/23/16/84/660231684.db2.gz IWLMTVLXCBNQIO-CQSZACIVSA-N 2 2 385.921 1.971 20 0 GDADLP Cn1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000918912092 660242616 /nfs/dbraw/zinc/24/26/16/660242616.db2.gz BSSYUABBAAOILO-ZDUSSCGKSA-N 2 2 399.337 1.150 20 0 GDADLP Cn1cc(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000918912092 660242617 /nfs/dbraw/zinc/24/26/17/660242617.db2.gz BSSYUABBAAOILO-ZDUSSCGKSA-N 2 2 399.337 1.150 20 0 GDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000574513548 651548087 /nfs/dbraw/zinc/54/80/87/651548087.db2.gz TZEXKBZJMSLVFD-XHDPSFHLSA-N 2 2 388.281 1.220 20 0 GDADLP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072746 651704195 /nfs/dbraw/zinc/70/41/95/651704195.db2.gz ARMSLZNFCQSKHK-GXTWGEPZSA-N 2 2 386.327 1.849 20 0 GDADLP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072746 651704197 /nfs/dbraw/zinc/70/41/97/651704197.db2.gz ARMSLZNFCQSKHK-GXTWGEPZSA-N 2 2 386.327 1.849 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000617764071 652976274 /nfs/dbraw/zinc/97/62/74/652976274.db2.gz HWCRYXYVPDMAGF-UHFFFAOYSA-N 2 2 382.306 1.939 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c[nH]c2ncc(Br)cc12 ZINC000617764071 652976275 /nfs/dbraw/zinc/97/62/75/652976275.db2.gz HWCRYXYVPDMAGF-UHFFFAOYSA-N 2 2 382.306 1.939 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000617767194 652976419 /nfs/dbraw/zinc/97/64/19/652976419.db2.gz KAMWRDQOVPEAQZ-UHFFFAOYSA-N 2 2 386.290 1.791 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(c(Br)c1)OCO2 ZINC000617767194 652976421 /nfs/dbraw/zinc/97/64/21/652976421.db2.gz KAMWRDQOVPEAQZ-UHFFFAOYSA-N 2 2 386.290 1.791 20 0 GDADLP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784179 653600451 /nfs/dbraw/zinc/60/04/51/653600451.db2.gz IRRHVLKVOQGJRB-QGZVFWFLSA-N 2 2 377.286 1.985 20 0 GDADLP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784179 653600452 /nfs/dbraw/zinc/60/04/52/653600452.db2.gz IRRHVLKVOQGJRB-QGZVFWFLSA-N 2 2 377.286 1.985 20 0 GDADLP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784179 653600453 /nfs/dbraw/zinc/60/04/53/653600453.db2.gz IRRHVLKVOQGJRB-QGZVFWFLSA-N 2 2 377.286 1.985 20 0 GDADLP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784179 653600454 /nfs/dbraw/zinc/60/04/54/653600454.db2.gz IRRHVLKVOQGJRB-QGZVFWFLSA-N 2 2 377.286 1.985 20 0 GDADLP O=S(=O)(CC[NH2+][C@@H]1CCCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000657841778 654167012 /nfs/dbraw/zinc/16/70/12/654167012.db2.gz GEVCTNPKCHUNCZ-MRXNPFEDSA-N 2 2 384.571 1.409 20 0 GDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662244452 654290567 /nfs/dbraw/zinc/29/05/67/654290567.db2.gz QRPJNQCLWRLRCJ-JTQLQIEISA-N 2 2 375.698 1.784 20 0 GDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662244452 654290572 /nfs/dbraw/zinc/29/05/72/654290572.db2.gz QRPJNQCLWRLRCJ-JTQLQIEISA-N 2 2 375.698 1.784 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000742718265 654709207 /nfs/dbraw/zinc/70/92/07/654709207.db2.gz NMJSKMXLMZTGTN-GXTWGEPZSA-N 2 2 385.921 1.827 20 0 GDADLP CN(C(=O)c1cnn(C)c1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000760371522 655110195 /nfs/dbraw/zinc/11/01/95/655110195.db2.gz ABHAYDSAEJNCMX-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cnn(C)c1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000760371522 655110199 /nfs/dbraw/zinc/11/01/99/655110199.db2.gz ABHAYDSAEJNCMX-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cc(Br)n(C)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000825850639 655494189 /nfs/dbraw/zinc/49/41/89/655494189.db2.gz OVHMDHONJANSHC-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cc(Br)n(C)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000825850639 655494191 /nfs/dbraw/zinc/49/41/91/655494191.db2.gz OVHMDHONJANSHC-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000865442674 655919901 /nfs/dbraw/zinc/91/99/01/655919901.db2.gz QMYFXNUNBSGGOQ-OAHLLOKOSA-N 2 2 399.333 1.885 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000865442674 655919902 /nfs/dbraw/zinc/91/99/02/655919902.db2.gz QMYFXNUNBSGGOQ-OAHLLOKOSA-N 2 2 399.333 1.885 20 0 GDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000870897015 656253924 /nfs/dbraw/zinc/25/39/24/656253924.db2.gz YICISVIGQVOUBX-XJKSGUPXSA-N 2 2 383.334 1.449 20 0 GDADLP COC(=O)c1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)ccc1Br ZINC000926085489 656734856 /nfs/dbraw/zinc/73/48/56/656734856.db2.gz VERYQZMFHNZEFO-UHFFFAOYSA-N 2 2 399.289 1.780 20 0 GDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219066 656875733 /nfs/dbraw/zinc/87/57/33/656875733.db2.gz TWTCWKMGYDWUTM-YESZJQIVSA-N 2 2 387.318 1.328 20 0 GDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219066 656875735 /nfs/dbraw/zinc/87/57/35/656875735.db2.gz TWTCWKMGYDWUTM-YESZJQIVSA-N 2 2 387.318 1.328 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000884331893 657347601 /nfs/dbraw/zinc/34/76/01/657347601.db2.gz ZSQUBBJVCBFCAA-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000884331893 657347610 /nfs/dbraw/zinc/34/76/10/657347610.db2.gz ZSQUBBJVCBFCAA-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884334631 657347770 /nfs/dbraw/zinc/34/77/70/657347770.db2.gz XAUKICDVPKCLEW-OAHLLOKOSA-N 2 2 392.301 1.968 20 0 GDADLP Cn1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(I)n1 ZINC000894169160 658515196 /nfs/dbraw/zinc/51/51/96/658515196.db2.gz WUDRXNMSRYSUFP-UHFFFAOYSA-N 2 2 391.301 1.140 20 0 GDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(n2nncc2I)CC1 ZINC000903464110 659316029 /nfs/dbraw/zinc/31/60/29/659316029.db2.gz ZUWCFTWPJLATCI-MNOVXSKESA-N 2 2 375.258 1.375 20 0 GDADLP Cc1nc(Cl)ccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562622 659342217 /nfs/dbraw/zinc/34/22/17/659342217.db2.gz QVDNLMWJKYUDNG-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP Cc1nc(Cl)ccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562622 659342220 /nfs/dbraw/zinc/34/22/20/659342220.db2.gz QVDNLMWJKYUDNG-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735557 659378302 /nfs/dbraw/zinc/37/83/02/659378302.db2.gz BMBRFPUDIGIVPT-XJKSGUPXSA-N 2 2 383.290 1.483 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735557 659378308 /nfs/dbraw/zinc/37/83/08/659378308.db2.gz BMBRFPUDIGIVPT-XJKSGUPXSA-N 2 2 383.290 1.483 20 0 GDADLP Ic1cnnn1C1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903764715 659379374 /nfs/dbraw/zinc/37/93/74/659379374.db2.gz AOSHBRNCMHAFGZ-GFCCVEGCSA-N 2 2 389.285 1.909 20 0 GDADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@H+]3C)n1 ZINC001164640320 719267119 /nfs/dbraw/zinc/26/71/19/719267119.db2.gz SNOLRALOAHNRMG-UHFFFAOYSA-N 2 2 390.532 1.001 20 0 GDADLP CCN(C)c1cc(C)[nH+]c(N2CCC3(CC2)C(=O)N(CCOC)CC[N@@H+]3C)n1 ZINC001164640320 719267124 /nfs/dbraw/zinc/26/71/24/719267124.db2.gz SNOLRALOAHNRMG-UHFFFAOYSA-N 2 2 390.532 1.001 20 0 GDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cccc(N)[nH+]4)CC3)C2=O)cs1 ZINC001164824167 720362975 /nfs/dbraw/zinc/36/29/75/720362975.db2.gz KCIGKYZPCBBNKX-UHFFFAOYSA-N 2 2 386.525 1.742 20 0 GDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cccc(N)[nH+]4)CC3)C2=O)cs1 ZINC001164824167 720362980 /nfs/dbraw/zinc/36/29/80/720362980.db2.gz KCIGKYZPCBBNKX-UHFFFAOYSA-N 2 2 386.525 1.742 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164782345 721417018 /nfs/dbraw/zinc/41/70/18/721417018.db2.gz FSNUAHDSMNKDQX-IAGOWNOFSA-N 3 2 384.553 1.858 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001165007578 721698091 /nfs/dbraw/zinc/69/80/91/721698091.db2.gz GGCRYTAFDPHGIN-UHFFFAOYSA-N 2 2 390.923 1.618 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1CC[NH2+]C3)C2 ZINC001165007578 721698097 /nfs/dbraw/zinc/69/80/97/721698097.db2.gz GGCRYTAFDPHGIN-UHFFFAOYSA-N 2 2 390.923 1.618 20 0 GDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001165001092 722236562 /nfs/dbraw/zinc/23/65/62/722236562.db2.gz BYQPIFMUHCLTAY-UHFFFAOYSA-N 2 2 395.511 1.495 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705108 944872746 /nfs/dbraw/zinc/87/27/46/944872746.db2.gz FMCJVMMANCAIKK-SJORKVTESA-N 2 2 397.483 1.702 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705108 944872759 /nfs/dbraw/zinc/87/27/59/944872759.db2.gz FMCJVMMANCAIKK-SJORKVTESA-N 2 2 397.483 1.702 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736706122 944877029 /nfs/dbraw/zinc/87/70/29/944877029.db2.gz QROQHWYJJBWALU-QGZVFWFLSA-N 2 2 394.483 1.579 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736706122 944877037 /nfs/dbraw/zinc/87/70/37/944877037.db2.gz QROQHWYJJBWALU-QGZVFWFLSA-N 2 2 394.483 1.579 20 0 GDADLP CC[C@H](C(=O)N1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571294168 946128499 /nfs/dbraw/zinc/12/84/99/946128499.db2.gz BXTPMOJSUYAGNR-QGZVFWFLSA-N 2 2 389.479 1.380 20 0 GDADLP CC[C@H](C(=O)N1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571294168 946128503 /nfs/dbraw/zinc/12/85/03/946128503.db2.gz BXTPMOJSUYAGNR-QGZVFWFLSA-N 2 2 389.479 1.380 20 0 GDADLP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899466 946980813 /nfs/dbraw/zinc/98/08/13/946980813.db2.gz KCDRVSJZKLGVSD-ZMYBRWDISA-N 2 2 395.511 1.430 20 0 GDADLP NC(=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826390165 948197697 /nfs/dbraw/zinc/19/76/97/948197697.db2.gz RJCJTWUUZCOPBX-WMZOPIPTSA-N 2 2 383.500 1.465 20 0 GDADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000826389452 948197769 /nfs/dbraw/zinc/19/77/69/948197769.db2.gz YSSAWQYCDZFOJM-SFHVURJKSA-N 2 2 394.483 1.782 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918478 948845701 /nfs/dbraw/zinc/84/57/01/948845701.db2.gz LCAXEOAZRRMBJH-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918478 948845716 /nfs/dbraw/zinc/84/57/16/948845716.db2.gz LCAXEOAZRRMBJH-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926715 949017248 /nfs/dbraw/zinc/01/72/48/949017248.db2.gz VRGWMWSPHFGKPV-ZDUSSCGKSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926715 949017269 /nfs/dbraw/zinc/01/72/69/949017269.db2.gz VRGWMWSPHFGKPV-ZDUSSCGKSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574718179 949765283 /nfs/dbraw/zinc/76/52/83/949765283.db2.gz ZCXYVYZFNDHDSE-GJZGRUSLSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191344 950191403 /nfs/dbraw/zinc/19/14/03/950191403.db2.gz FKZUFFJKBFYJAO-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191344 950191419 /nfs/dbraw/zinc/19/14/19/950191419.db2.gz FKZUFFJKBFYJAO-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191344 950191436 /nfs/dbraw/zinc/19/14/36/950191436.db2.gz FKZUFFJKBFYJAO-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191344 950191454 /nfs/dbraw/zinc/19/14/54/950191454.db2.gz FKZUFFJKBFYJAO-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501483 950337663 /nfs/dbraw/zinc/33/76/63/950337663.db2.gz DRMXZHBVCXHTAW-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501483 950337688 /nfs/dbraw/zinc/33/76/88/950337688.db2.gz DRMXZHBVCXHTAW-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502149 950360664 /nfs/dbraw/zinc/36/06/64/950360664.db2.gz JRWNVGDFTUSAGH-GDBMZVCRSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502149 950360679 /nfs/dbraw/zinc/36/06/79/950360679.db2.gz JRWNVGDFTUSAGH-GDBMZVCRSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574504045 950424879 /nfs/dbraw/zinc/42/48/79/950424879.db2.gz ZSAFFVNDLQFNSY-KBPBESRZSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203256 950438437 /nfs/dbraw/zinc/43/84/37/950438437.db2.gz FUBFDCBSXHWNHN-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203256 950438449 /nfs/dbraw/zinc/43/84/49/950438449.db2.gz FUBFDCBSXHWNHN-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203256 950438457 /nfs/dbraw/zinc/43/84/57/950438457.db2.gz FUBFDCBSXHWNHN-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203256 950438471 /nfs/dbraw/zinc/43/84/71/950438471.db2.gz FUBFDCBSXHWNHN-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574509580 950514751 /nfs/dbraw/zinc/51/47/51/950514751.db2.gz SINAGJCYCVRBRX-CYBMUJFWSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@H](CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574509580 950514769 /nfs/dbraw/zinc/51/47/69/950514769.db2.gz SINAGJCYCVRBRX-CYBMUJFWSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)n1cc[nH+]c1 ZINC001574511637 950567408 /nfs/dbraw/zinc/56/74/08/950567408.db2.gz PQMXVFSCWLNWKA-UMVBOHGHSA-N 2 2 381.444 1.050 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574523680 950824021 /nfs/dbraw/zinc/82/40/21/950824021.db2.gz PFZMAEIHDBQAGL-CABCVRRESA-N 2 2 382.472 1.526 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574523902 950843170 /nfs/dbraw/zinc/84/31/70/950843170.db2.gz RXSIHOXRXJLWPG-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089697 951754036 /nfs/dbraw/zinc/75/40/36/951754036.db2.gz HSBVXOVIALHRDW-AWEZNQCLSA-N 2 2 382.472 1.075 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101211 951855295 /nfs/dbraw/zinc/85/52/95/951855295.db2.gz AYTGCYQTLBKYND-CYBMUJFWSA-N 2 2 386.435 1.135 20 0 GDADLP C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001575115222 951964222 /nfs/dbraw/zinc/96/42/22/951964222.db2.gz WEAQNBRSMSQJOB-LJQANCHMSA-N 2 2 380.456 1.207 20 0 GDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571167101 952770054 /nfs/dbraw/zinc/77/00/54/952770054.db2.gz VSCNRQYISKLZMP-GDBMZVCRSA-N 2 2 380.456 1.233 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2ccc(Br)cc2)CC1 ZINC000177112674 530697273 /nfs/dbraw/zinc/69/72/73/530697273.db2.gz SHIHDPWEPOFVAN-UHFFFAOYSA-N 2 2 384.318 1.970 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246218717 531064969 /nfs/dbraw/zinc/06/49/69/531064969.db2.gz FHWYFXLUUHVFFE-JQHSSLGASA-N 2 2 375.579 1.620 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246218717 531064970 /nfs/dbraw/zinc/06/49/70/531064970.db2.gz FHWYFXLUUHVFFE-JQHSSLGASA-N 2 2 375.579 1.620 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000246207525 531065272 /nfs/dbraw/zinc/06/52/72/531065272.db2.gz YJMZIIHXAUZZPP-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000246207525 531065274 /nfs/dbraw/zinc/06/52/74/531065274.db2.gz YJMZIIHXAUZZPP-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000246207525 531065275 /nfs/dbraw/zinc/06/52/75/531065275.db2.gz YJMZIIHXAUZZPP-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000246207525 531065278 /nfs/dbraw/zinc/06/52/78/531065278.db2.gz YJMZIIHXAUZZPP-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP COCC[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261631052 531094231 /nfs/dbraw/zinc/09/42/31/531094231.db2.gz BTKZIHSTTWNGKM-DYVFJYSZSA-N 2 2 384.318 1.802 20 0 GDADLP COCC[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261631052 531094234 /nfs/dbraw/zinc/09/42/34/531094234.db2.gz BTKZIHSTTWNGKM-DYVFJYSZSA-N 2 2 384.318 1.802 20 0 GDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261797585 531099104 /nfs/dbraw/zinc/09/91/04/531099104.db2.gz QRKZUXZEZCSPMT-GDZNZVCISA-N 2 2 384.318 1.537 20 0 GDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261797585 531099107 /nfs/dbraw/zinc/09/91/07/531099107.db2.gz QRKZUXZEZCSPMT-GDZNZVCISA-N 2 2 384.318 1.537 20 0 GDADLP C[C@]([NH3+])(C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000261879877 531101781 /nfs/dbraw/zinc/10/17/81/531101781.db2.gz YZEIOFLIQJHUET-QGZVFWFLSA-N 2 2 384.318 1.850 20 0 GDADLP C[C@]([NH3+])(C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000261879877 531101784 /nfs/dbraw/zinc/10/17/84/531101784.db2.gz YZEIOFLIQJHUET-QGZVFWFLSA-N 2 2 384.318 1.850 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254256 531223851 /nfs/dbraw/zinc/22/38/51/531223851.db2.gz QEYDIVLWXYOAJX-DOMZBBRYSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254256 531223855 /nfs/dbraw/zinc/22/38/55/531223855.db2.gz QEYDIVLWXYOAJX-DOMZBBRYSA-N 2 2 375.270 1.741 20 0 GDADLP C[C@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854341 531377799 /nfs/dbraw/zinc/37/77/99/531377799.db2.gz AFKQKMGSKYGQTG-XHDPSFHLSA-N 2 2 375.897 1.830 20 0 GDADLP C[C@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854341 531377805 /nfs/dbraw/zinc/37/78/05/531377805.db2.gz AFKQKMGSKYGQTG-XHDPSFHLSA-N 2 2 375.897 1.830 20 0 GDADLP Cc1nn(C)c(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1Br ZINC000279147064 531415256 /nfs/dbraw/zinc/41/52/56/531415256.db2.gz OLKYEVRYCZSRRD-UHFFFAOYSA-N 2 2 393.333 1.928 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1Br ZINC000414251752 531437334 /nfs/dbraw/zinc/43/73/34/531437334.db2.gz AFHWSVQRYWSAPL-UHFFFAOYSA-N 2 2 388.331 1.813 20 0 GDADLP C[N@H+](CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000536523164 531451656 /nfs/dbraw/zinc/45/16/56/531451656.db2.gz VWJWIQJEZOXHAY-HZPDHXFCSA-N 2 2 382.599 1.590 20 0 GDADLP C[N@@H+](CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000536523164 531451659 /nfs/dbraw/zinc/45/16/59/531451659.db2.gz VWJWIQJEZOXHAY-HZPDHXFCSA-N 2 2 382.599 1.590 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489886726 531513168 /nfs/dbraw/zinc/51/31/68/531513168.db2.gz UCEDYEXOFHVWEK-BBRMVZONSA-N 2 2 381.318 1.756 20 0 GDADLP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280773887 531538584 /nfs/dbraw/zinc/53/85/84/531538584.db2.gz GIVVETRKLIEBJU-GOEBONIOSA-N 2 2 389.949 1.746 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC34CC(C3)C[NH2+]4)[nH+]c12 ZINC000659479771 531547793 /nfs/dbraw/zinc/54/77/93/531547793.db2.gz CGDLUJAJHCHSHO-UHFFFAOYSA-N 2 2 392.301 1.999 20 0 GDADLP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867986 531551608 /nfs/dbraw/zinc/55/16/08/531551608.db2.gz NMIVQDLWFQGYEL-GDBMZVCRSA-N 2 2 388.965 1.535 20 0 GDADLP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867986 531551614 /nfs/dbraw/zinc/55/16/14/531551614.db2.gz NMIVQDLWFQGYEL-GDBMZVCRSA-N 2 2 388.965 1.535 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583332983 531572416 /nfs/dbraw/zinc/57/24/16/531572416.db2.gz BBJBYVFJRWFXAN-DFBGVHRSSA-N 2 2 383.279 1.343 20 0 GDADLP Cc1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)sn1 ZINC000638370433 531651007 /nfs/dbraw/zinc/65/10/07/531651007.db2.gz KDERCEWMBBVXFL-UHFFFAOYSA-N 2 2 381.527 1.088 20 0 GDADLP O=C(NCC[C@H]1CCC[NH2+]1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000667671781 531783359 /nfs/dbraw/zinc/78/33/59/531783359.db2.gz KYNQMUJNBYJPEW-GFCCVEGCSA-N 2 2 398.305 1.944 20 0 GDADLP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000595948910 531895568 /nfs/dbraw/zinc/89/55/68/531895568.db2.gz CKVDVBBGNFOYFB-SECBINFHSA-N 2 2 388.287 1.091 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(I)cn1 ZINC000597991666 531963569 /nfs/dbraw/zinc/96/35/69/531963569.db2.gz GQHNZCLGVBZYFL-UHFFFAOYSA-N 2 2 390.269 1.300 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(I)cn1 ZINC000597991666 531963573 /nfs/dbraw/zinc/96/35/73/531963573.db2.gz GQHNZCLGVBZYFL-UHFFFAOYSA-N 2 2 390.269 1.300 20 0 GDADLP NC(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655764416 531975582 /nfs/dbraw/zinc/97/55/82/531975582.db2.gz HAIVGNMBLLHAAX-HOTGVXAUSA-N 2 2 382.302 1.818 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000631090059 531996934 /nfs/dbraw/zinc/99/69/34/531996934.db2.gz FDDVZABGRGNLLV-HOTGVXAUSA-N 2 2 387.933 1.455 20 0 GDADLP C[C@H](C(=O)Nc1ccc(I)cc1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603909552 532096496 /nfs/dbraw/zinc/09/64/96/532096496.db2.gz CKCFMCLKRDKJAH-WOPDTQHZSA-N 2 2 385.249 1.769 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2cscc2Br)CN1CC[NH+]1CCOCC1 ZINC000286545382 532158159 /nfs/dbraw/zinc/15/81/59/532158159.db2.gz OJTWUKXTPTUSGM-ZDUSSCGKSA-N 2 2 388.331 1.533 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]c12 ZINC000333786338 532249603 /nfs/dbraw/zinc/24/96/03/532249603.db2.gz LRZKQJLIFNTSEF-RISCZKNCSA-N 2 2 378.274 1.909 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430939304 532258291 /nfs/dbraw/zinc/25/82/91/532258291.db2.gz KOUVCCHYMKOGQR-VXGBXAGGSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430939304 532258295 /nfs/dbraw/zinc/25/82/95/532258295.db2.gz KOUVCCHYMKOGQR-VXGBXAGGSA-N 2 2 388.921 1.198 20 0 GDADLP CN(C)c1nc(N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC000736780014 598934905 /nfs/dbraw/zinc/93/49/05/598934905.db2.gz RHGLJEMVRAXSCI-UHFFFAOYSA-N 2 2 379.472 1.435 20 0 GDADLP CN(C)c1nc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC000736780014 598934906 /nfs/dbraw/zinc/93/49/06/598934906.db2.gz RHGLJEMVRAXSCI-UHFFFAOYSA-N 2 2 379.472 1.435 20 0 GDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392719 599011591 /nfs/dbraw/zinc/01/15/91/599011591.db2.gz GXFSTZODYQQGAC-PMACEKPBSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392719 599011593 /nfs/dbraw/zinc/01/15/93/599011593.db2.gz GXFSTZODYQQGAC-PMACEKPBSA-N 2 2 378.480 1.839 20 0 GDADLP O=C(C[NH+]1CCC(n2cc[nH+]c2)CC1)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000737877156 598702349 /nfs/dbraw/zinc/70/23/49/598702349.db2.gz UVGTWQSLEBPUQP-UHFFFAOYSA-N 2 2 386.847 1.992 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286133 599316544 /nfs/dbraw/zinc/31/65/44/599316544.db2.gz LYKKOQUSVMCXCA-MDZRGWNJSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286133 599316546 /nfs/dbraw/zinc/31/65/46/599316546.db2.gz LYKKOQUSVMCXCA-MDZRGWNJSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000736286133 599316549 /nfs/dbraw/zinc/31/65/49/599316549.db2.gz LYKKOQUSVMCXCA-MDZRGWNJSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000736286133 599316552 /nfs/dbraw/zinc/31/65/52/599316552.db2.gz LYKKOQUSVMCXCA-MDZRGWNJSA-N 2 2 385.516 1.264 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410542 607478735 /nfs/dbraw/zinc/47/87/35/607478735.db2.gz QFNFODPXNMUSOU-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410542 607478736 /nfs/dbraw/zinc/47/87/36/607478736.db2.gz QFNFODPXNMUSOU-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410542 607478737 /nfs/dbraw/zinc/47/87/37/607478737.db2.gz QFNFODPXNMUSOU-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410542 607478738 /nfs/dbraw/zinc/47/87/38/607478738.db2.gz QFNFODPXNMUSOU-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2nn[nH]n2)nc1 ZINC000821621689 606200102 /nfs/dbraw/zinc/20/01/02/606200102.db2.gz BUJVWUAPRCKSHD-UHFFFAOYSA-N 2 2 384.532 1.894 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477099 606617644 /nfs/dbraw/zinc/61/76/44/606617644.db2.gz GIKFPZQLQOGPOX-DLBZAZTESA-N 2 2 383.456 1.276 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477099 606617645 /nfs/dbraw/zinc/61/76/45/606617645.db2.gz GIKFPZQLQOGPOX-DLBZAZTESA-N 2 2 383.456 1.276 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478496 606617654 /nfs/dbraw/zinc/61/76/54/606617654.db2.gz SMEMJYYJCAJMEJ-UKRRQHHQSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478496 606617655 /nfs/dbraw/zinc/61/76/55/606617655.db2.gz SMEMJYYJCAJMEJ-UKRRQHHQSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1cccc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826304761 608016308 /nfs/dbraw/zinc/01/63/08/608016308.db2.gz XAXZOODSEVHAEU-HNNXBMFYSA-N 2 2 379.468 1.810 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826182579 608171084 /nfs/dbraw/zinc/17/10/84/608171084.db2.gz NXCOHHCZLWBUPC-YJBOKZPZSA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826182579 608171086 /nfs/dbraw/zinc/17/10/86/608171086.db2.gz NXCOHHCZLWBUPC-YJBOKZPZSA-N 2 2 385.516 1.333 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548528 609142137 /nfs/dbraw/zinc/14/21/37/609142137.db2.gz XNLGTXQFPLTREJ-CYBMUJFWSA-N 2 2 389.479 1.599 20 0 GDADLP CC(C)(C)[C@@H](C[NH3+])[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000420363620 645942195 /nfs/dbraw/zinc/94/21/95/645942195.db2.gz ODZUNSPKXZUTHE-CYBMUJFWSA-N 2 2 385.306 1.467 20 0 GDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000423075367 646111689 /nfs/dbraw/zinc/11/16/89/646111689.db2.gz OJVZGTODAPHRBE-VHSSKADRSA-N 2 2 383.330 1.957 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462405991 647526869 /nfs/dbraw/zinc/52/68/69/647526869.db2.gz GPHCQFOKIQSMGZ-GOSISDBHSA-N 2 2 396.329 1.972 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000462405991 647526871 /nfs/dbraw/zinc/52/68/71/647526871.db2.gz GPHCQFOKIQSMGZ-GOSISDBHSA-N 2 2 396.329 1.972 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000574449903 651543198 /nfs/dbraw/zinc/54/31/98/651543198.db2.gz FWGTVUFAKSIMKY-SFHVURJKSA-N 2 2 397.361 1.719 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000574449903 651543213 /nfs/dbraw/zinc/54/32/13/651543213.db2.gz FWGTVUFAKSIMKY-SFHVURJKSA-N 2 2 397.361 1.719 20 0 GDADLP CN(C(=O)Cn1cc(Br)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474066 652586126 /nfs/dbraw/zinc/58/61/26/652586126.db2.gz LFWYVUZEXYWEHQ-HNNXBMFYSA-N 2 2 384.322 1.273 20 0 GDADLP CN(C(=O)Cn1cc(Br)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474066 652586131 /nfs/dbraw/zinc/58/61/31/652586131.db2.gz LFWYVUZEXYWEHQ-HNNXBMFYSA-N 2 2 384.322 1.273 20 0 GDADLP Cc1[nH+]ccn1CC[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000602953978 652660866 /nfs/dbraw/zinc/66/08/66/652660866.db2.gz FRDNWDCYHBNMIA-UHFFFAOYSA-N 2 2 398.252 1.408 20 0 GDADLP Cn1ncc(Br)c1CNC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633041494 653423449 /nfs/dbraw/zinc/42/34/49/653423449.db2.gz FDBXSTXFBSWYCY-GFCCVEGCSA-N 2 2 399.337 1.150 20 0 GDADLP Cn1ncc(Br)c1CNC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633041494 653423452 /nfs/dbraw/zinc/42/34/52/653423452.db2.gz FDBXSTXFBSWYCY-GFCCVEGCSA-N 2 2 399.337 1.150 20 0 GDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662494071 654297164 /nfs/dbraw/zinc/29/71/64/654297164.db2.gz VQXRIECLHLZYGQ-YOEHRIQHSA-N 2 2 397.361 1.839 20 0 GDADLP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000779604570 654764641 /nfs/dbraw/zinc/76/46/41/654764641.db2.gz BTAMIRGRCOSPRC-KRWDZBQOSA-N 2 2 399.329 1.642 20 0 GDADLP Cn1ccnc1[C@](O)(CC[NH2+]Cc1ncc(C[NH+](C)C)s1)C(F)(F)F ZINC000796276474 655209292 /nfs/dbraw/zinc/20/92/92/655209292.db2.gz ZDFGOMZESLGDHV-CQSZACIVSA-N 2 2 377.436 1.868 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870894358 656253687 /nfs/dbraw/zinc/25/36/87/656253687.db2.gz QILNRZFSMDXFDA-CZUORRHYSA-N 2 2 382.302 1.630 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000870897012 656253990 /nfs/dbraw/zinc/25/39/90/656253990.db2.gz YICISVIGQVOUBX-BBRMVZONSA-N 2 2 383.334 1.449 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CC[N@H+]3C)[nH+]c12 ZINC000921939876 656430127 /nfs/dbraw/zinc/43/01/27/656430127.db2.gz YEIHTCGIJLHMBJ-CQSZACIVSA-N 2 2 380.290 1.951 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CC[N@@H+]3C)[nH+]c12 ZINC000921939876 656430130 /nfs/dbraw/zinc/43/01/30/656430130.db2.gz YEIHTCGIJLHMBJ-CQSZACIVSA-N 2 2 380.290 1.951 20 0 GDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929780751 656984163 /nfs/dbraw/zinc/98/41/63/656984163.db2.gz HAURXRUCEHGKLO-BZUAXINKSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929780751 656984164 /nfs/dbraw/zinc/98/41/64/656984164.db2.gz HAURXRUCEHGKLO-BZUAXINKSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780751 656984165 /nfs/dbraw/zinc/98/41/65/656984165.db2.gz HAURXRUCEHGKLO-BZUAXINKSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780751 656984166 /nfs/dbraw/zinc/98/41/66/656984166.db2.gz HAURXRUCEHGKLO-BZUAXINKSA-N 2 2 375.579 1.402 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ccc4nnc(Br)n4n3)C2)CC1 ZINC000881977004 657009562 /nfs/dbraw/zinc/00/95/62/657009562.db2.gz QOPIQOYRUAGUNN-NSHDSACASA-N 2 2 380.294 1.467 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ccc4nnc(Br)n4n3)C2)CC1 ZINC000881977004 657009570 /nfs/dbraw/zinc/00/95/70/657009570.db2.gz QOPIQOYRUAGUNN-NSHDSACASA-N 2 2 380.294 1.467 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000900693586 659137522 /nfs/dbraw/zinc/13/75/22/659137522.db2.gz XIWGXTIIBFBEOY-KRWDZBQOSA-N 2 2 398.345 1.967 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@@H](O)c1cccc(Br)c1 ZINC000900693586 659137529 /nfs/dbraw/zinc/13/75/29/659137529.db2.gz XIWGXTIIBFBEOY-KRWDZBQOSA-N 2 2 398.345 1.967 20 0 GDADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755419 659379170 /nfs/dbraw/zinc/37/91/70/659379170.db2.gz GYMYADAQTNIQOI-ZMSDIMECSA-N 2 2 382.302 1.676 20 0 GDADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755419 659379175 /nfs/dbraw/zinc/37/91/75/659379175.db2.gz GYMYADAQTNIQOI-ZMSDIMECSA-N 2 2 382.302 1.676 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccn2ncc(Br)c12 ZINC000912386640 660034608 /nfs/dbraw/zinc/03/46/08/660034608.db2.gz GLSYERUPGSJYFI-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccn2ncc(Br)c12 ZINC000912386640 660034610 /nfs/dbraw/zinc/03/46/10/660034610.db2.gz GLSYERUPGSJYFI-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP COC(=O)[C@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164629439 719135612 /nfs/dbraw/zinc/13/56/12/719135612.db2.gz AXYFDHGDASFVHY-CQSZACIVSA-N 2 2 389.525 1.855 20 0 GDADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807521 720140088 /nfs/dbraw/zinc/14/00/88/720140088.db2.gz CRKGQJSJMDQWFM-WIYYLYMNSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807521 720140102 /nfs/dbraw/zinc/14/01/02/720140102.db2.gz CRKGQJSJMDQWFM-WIYYLYMNSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807517 720140784 /nfs/dbraw/zinc/14/07/84/720140784.db2.gz CRKGQJSJMDQWFM-RXVVDRJESA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807517 720140803 /nfs/dbraw/zinc/14/08/03/720140803.db2.gz CRKGQJSJMDQWFM-RXVVDRJESA-N 2 2 387.528 1.498 20 0 GDADLP COc1cc(C)c[nH+]c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164713765 720191969 /nfs/dbraw/zinc/19/19/69/720191969.db2.gz DBLUTCGQRRXPRT-QGZVFWFLSA-N 2 2 386.500 1.743 20 0 GDADLP Cc1c[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1NC(C)C ZINC001164755138 720944050 /nfs/dbraw/zinc/94/40/50/720944050.db2.gz YQOFSEMDESWMMW-UHFFFAOYSA-N 2 2 387.488 1.447 20 0 GDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001164776455 721349880 /nfs/dbraw/zinc/34/98/80/721349880.db2.gz BRPUXHKNUUTNTO-OAQYLSRUSA-N 2 2 398.511 1.804 20 0 GDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001164776455 721349884 /nfs/dbraw/zinc/34/98/84/721349884.db2.gz BRPUXHKNUUTNTO-OAQYLSRUSA-N 2 2 398.511 1.804 20 0 GDADLP Cc1[nH]c2nc[nH+]c(N3CCn4cc(CN5CC[NH+](C)CC5)nc4C3)c2c1C ZINC001164799248 721514697 /nfs/dbraw/zinc/51/46/97/721514697.db2.gz ZVZDBLRKCWWBCR-UHFFFAOYSA-N 2 2 380.500 1.539 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H]3CCN4C(=O)c3cscn3)[nH+]2)CC1 ZINC001164966370 722065052 /nfs/dbraw/zinc/06/50/52/722065052.db2.gz RPUIJWDQRRZYJS-IRXDYDNUSA-N 2 2 398.536 1.783 20 0 GDADLP CC(C)[C@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[NH+]1CCN(C)CC1 ZINC000820020132 945331779 /nfs/dbraw/zinc/33/17/79/945331779.db2.gz CAAVQKWVUYHSOO-SFHVURJKSA-N 2 2 380.500 1.521 20 0 GDADLP CC[C@H](C(=O)N1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571294539 946139131 /nfs/dbraw/zinc/13/91/31/946139131.db2.gz IOMUPUIYDIEHLV-QGZVFWFLSA-N 2 2 389.479 1.380 20 0 GDADLP CC[C@H](C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571294539 946139134 /nfs/dbraw/zinc/13/91/34/946139134.db2.gz IOMUPUIYDIEHLV-QGZVFWFLSA-N 2 2 389.479 1.380 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001571294718 946143018 /nfs/dbraw/zinc/14/30/18/946143018.db2.gz LGKFVCRIRXTHFE-VNHYZAJKSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C ZINC001571294718 946143024 /nfs/dbraw/zinc/14/30/24/946143024.db2.gz LGKFVCRIRXTHFE-VNHYZAJKSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC[NH+]1C ZINC001571294718 946143030 /nfs/dbraw/zinc/14/30/30/946143030.db2.gz LGKFVCRIRXTHFE-VNHYZAJKSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC[NH+]1C ZINC001571294718 946143037 /nfs/dbraw/zinc/14/30/37/946143037.db2.gz LGKFVCRIRXTHFE-VNHYZAJKSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824420510 946700357 /nfs/dbraw/zinc/70/03/57/946700357.db2.gz LQYLKZCJJOLWOH-INIZCTEOSA-N 2 2 385.516 1.141 20 0 GDADLP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066253 947062270 /nfs/dbraw/zinc/06/22/70/947062270.db2.gz AMIYLWCTNKHJJV-GJZGRUSLSA-N 2 2 385.516 1.724 20 0 GDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCCC1 ZINC000826412076 948250065 /nfs/dbraw/zinc/25/00/65/948250065.db2.gz AMCSUSMYFSRYIN-UHFFFAOYSA-N 2 2 397.527 1.870 20 0 GDADLP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000826504590 948423541 /nfs/dbraw/zinc/42/35/41/948423541.db2.gz ZGVGIAVTKHFOMM-KRWDZBQOSA-N 2 2 395.467 1.578 20 0 GDADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574695053 949101483 /nfs/dbraw/zinc/10/14/83/949101483.db2.gz YYZMOVTZDSCTCJ-CYBMUJFWSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H](CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574476064 949587516 /nfs/dbraw/zinc/58/75/16/949587516.db2.gz FMXPIFBADXUNDG-KBPBESRZSA-N 2 2 381.444 1.147 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724947 949883423 /nfs/dbraw/zinc/88/34/23/949883423.db2.gz MQOMPXVHULFUEZ-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cc[nH+]c1 ZINC001574499138 950292492 /nfs/dbraw/zinc/29/24/92/950292492.db2.gz SFOUWZUXJMUYBX-LBPRGKRZSA-N 2 2 386.485 1.514 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575910577 950421118 /nfs/dbraw/zinc/42/11/18/950421118.db2.gz LWMQJDWYGUNNCJ-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574506024 950423693 /nfs/dbraw/zinc/42/36/93/950423693.db2.gz AANJMKFIIFOVGO-QWHCGFSZSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)n1cc[nH+]c1 ZINC001574509249 950502745 /nfs/dbraw/zinc/50/27/45/950502745.db2.gz UKZJTVSADFAVGU-QWHCGFSZSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205802 950539658 /nfs/dbraw/zinc/53/96/58/950539658.db2.gz PRUCXKFRLNGQHA-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205802 950539676 /nfs/dbraw/zinc/53/96/76/950539676.db2.gz PRUCXKFRLNGQHA-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205802 950539693 /nfs/dbraw/zinc/53/96/93/950539693.db2.gz PRUCXKFRLNGQHA-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205802 950539712 /nfs/dbraw/zinc/53/97/12/950539712.db2.gz PRUCXKFRLNGQHA-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574516383 950636446 /nfs/dbraw/zinc/63/64/46/950636446.db2.gz IARKLSIYHSWKKI-XYPHTWIQSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574522813 950796640 /nfs/dbraw/zinc/79/66/40/950796640.db2.gz LCXYSUIBANLAMK-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081461 951723837 /nfs/dbraw/zinc/72/38/37/951723837.db2.gz VANPAOCQMXMWBS-LBPRGKRZSA-N 2 2 386.435 1.204 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106972 951909536 /nfs/dbraw/zinc/90/95/36/951909536.db2.gz WPJVEAPMWYFGLB-CQSZACIVSA-N 2 2 382.472 1.075 20 0 GDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571120435 952503466 /nfs/dbraw/zinc/50/34/66/952503466.db2.gz LKEKPVJNXWDQDC-SGMGOOAPSA-N 2 2 375.502 1.054 20 0 GDADLP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571120435 952503475 /nfs/dbraw/zinc/50/34/75/952503475.db2.gz LKEKPVJNXWDQDC-SGMGOOAPSA-N 2 2 375.502 1.054 20 0 GDADLP C[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571167102 952770323 /nfs/dbraw/zinc/77/03/23/952770323.db2.gz VSCNRQYISKLZMP-GOEBONIOSA-N 2 2 380.456 1.233 20 0 GDADLP CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001571167178 952771528 /nfs/dbraw/zinc/77/15/28/952771528.db2.gz XMGGWXPTRZKAAP-INIZCTEOSA-N 2 2 380.456 1.090 20 0 GDADLP CC1(C)C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@@H]1NC(=O)Cn1cc[nH+]c1 ZINC001571167178 952771531 /nfs/dbraw/zinc/77/15/31/952771531.db2.gz XMGGWXPTRZKAAP-INIZCTEOSA-N 2 2 380.456 1.090 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571171980 952799966 /nfs/dbraw/zinc/79/99/66/952799966.db2.gz KCMKWSJENNXZJZ-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571171980 952799969 /nfs/dbraw/zinc/79/99/69/952799969.db2.gz KCMKWSJENNXZJZ-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571238792 953233036 /nfs/dbraw/zinc/23/30/36/953233036.db2.gz AIPIGYWBPPCISZ-OKILXGFUSA-N 2 2 384.419 1.017 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC001571242343 953255774 /nfs/dbraw/zinc/25/57/74/953255774.db2.gz ZRBQHKRGYVRMNV-UHFFFAOYSA-N 2 2 384.419 1.052 20 0 GDADLP CC1CC[NH+](CC(=O)N2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)CC1 ZINC001571251162 953315950 /nfs/dbraw/zinc/31/59/50/953315950.db2.gz WOYFRLGSRPGRMQ-UHFFFAOYSA-N 2 2 384.488 1.032 20 0 GDADLP CN(C)c1[nH+]cc(CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)n1C ZINC000261666419 531095521 /nfs/dbraw/zinc/09/55/21/531095521.db2.gz FQUOGJKYIAZTMT-INIZCTEOSA-N 2 2 380.290 1.739 20 0 GDADLP C[C@@]([NH3+])(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000261693242 531096839 /nfs/dbraw/zinc/09/68/39/531096839.db2.gz HUEPWOCEAHASRJ-KRWDZBQOSA-N 2 2 384.318 1.850 20 0 GDADLP C[C@@]([NH3+])(C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000261693242 531096841 /nfs/dbraw/zinc/09/68/41/531096841.db2.gz HUEPWOCEAHASRJ-KRWDZBQOSA-N 2 2 384.318 1.850 20 0 GDADLP Cc1nn(C)c(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1Br ZINC000279164418 531417094 /nfs/dbraw/zinc/41/70/94/531417094.db2.gz QDZADSNAQXZLDH-CYBMUJFWSA-N 2 2 386.338 1.523 20 0 GDADLP Cc1nn(C)c(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1Br ZINC000279164418 531417104 /nfs/dbraw/zinc/41/71/04/531417104.db2.gz QDZADSNAQXZLDH-CYBMUJFWSA-N 2 2 386.338 1.523 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000483254719 531410583 /nfs/dbraw/zinc/41/05/83/531410583.db2.gz HQWGXCZTYYJMLQ-CQSZACIVSA-N 2 2 379.810 1.756 20 0 GDADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414971594 531464072 /nfs/dbraw/zinc/46/40/72/531464072.db2.gz WPCUMTOTIMBMKQ-KRWDZBQOSA-N 2 2 378.318 1.936 20 0 GDADLP COc1cc(C[NH2+]C[C@@H]2C[NH2+]CCO2)cc(I)c1OC ZINC000415098086 531465846 /nfs/dbraw/zinc/46/58/46/531465846.db2.gz UVHSQAYXNDINJL-NSHDSACASA-N 2 2 392.237 1.386 20 0 GDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435158 531497778 /nfs/dbraw/zinc/49/77/78/531497778.db2.gz BOKKWVBNZPFUTO-PWSUYJOCSA-N 2 2 376.320 1.841 20 0 GDADLP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435158 531497787 /nfs/dbraw/zinc/49/77/87/531497787.db2.gz BOKKWVBNZPFUTO-PWSUYJOCSA-N 2 2 376.320 1.841 20 0 GDADLP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280773894 531537543 /nfs/dbraw/zinc/53/75/43/531537543.db2.gz GIVVETRKLIEBJU-ZBFHGGJFSA-N 2 2 389.949 1.746 20 0 GDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662448246 531679916 /nfs/dbraw/zinc/67/99/16/531679916.db2.gz KIWWJRBMSYARNN-INIZCTEOSA-N 2 2 392.301 1.527 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1Br ZINC000662717343 531693349 /nfs/dbraw/zinc/69/33/49/531693349.db2.gz OAGDGJLJMFDJQK-JYJNAYRXSA-N 2 2 382.302 1.507 20 0 GDADLP C[N@H+]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@H](C[NH3+])C1 ZINC000667374806 531778967 /nfs/dbraw/zinc/77/89/67/531778967.db2.gz WFFWQUHZQGHFTN-GFCCVEGCSA-N 2 2 394.277 1.136 20 0 GDADLP C[N@@H+]1CCO[C@@H]([C@@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944168 531793600 /nfs/dbraw/zinc/79/36/00/531793600.db2.gz CAWILBFFVMRXDX-KGLIPLIRSA-N 2 2 376.835 1.605 20 0 GDADLP C[N@H+]1CCO[C@@H]([C@@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944168 531793603 /nfs/dbraw/zinc/79/36/03/531793603.db2.gz CAWILBFFVMRXDX-KGLIPLIRSA-N 2 2 376.835 1.605 20 0 GDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H](C)O1 ZINC000563003747 531797244 /nfs/dbraw/zinc/79/72/44/531797244.db2.gz WNOWSFILXXLBLR-UMVBOHGHSA-N 2 2 390.933 1.303 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000567989814 531906107 /nfs/dbraw/zinc/90/61/07/531906107.db2.gz QMUFDUFKLPOZAX-MRXNPFEDSA-N 2 2 389.949 1.920 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000567989814 531906117 /nfs/dbraw/zinc/90/61/17/531906117.db2.gz QMUFDUFKLPOZAX-MRXNPFEDSA-N 2 2 389.949 1.920 20 0 GDADLP C[C@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C[NH2+]1 ZINC000625893067 531919116 /nfs/dbraw/zinc/91/91/16/531919116.db2.gz JEIMAKGSLQXGMP-NWDGAFQWSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCCO1 ZINC000631121763 531999328 /nfs/dbraw/zinc/99/93/28/531999328.db2.gz LGHNHNYXLGRSTM-CYBMUJFWSA-N 2 2 375.922 1.578 20 0 GDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCCO1 ZINC000631121763 531999333 /nfs/dbraw/zinc/99/93/33/531999333.db2.gz LGHNHNYXLGRSTM-CYBMUJFWSA-N 2 2 375.922 1.578 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2cccc(O)c2Br)CN1CC[NH+]1CCOCC1 ZINC000459482847 532016708 /nfs/dbraw/zinc/01/67/08/532016708.db2.gz RRCCWWHOKXSSQU-AWEZNQCLSA-N 2 2 398.301 1.177 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000467712213 532062720 /nfs/dbraw/zinc/06/27/20/532062720.db2.gz XXOGUUPICREKKV-YOGCLGLASA-N 2 2 391.269 1.528 20 0 GDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000422912330 532069515 /nfs/dbraw/zinc/06/95/15/532069515.db2.gz WBCJZZQKQRAHCL-KYOSRNDESA-N 2 2 390.265 1.619 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086145 532071059 /nfs/dbraw/zinc/07/10/59/532071059.db2.gz LKBQMBFVMILHSH-DGCLKSJQSA-N 2 2 380.432 1.966 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108739 532072918 /nfs/dbraw/zinc/07/29/18/532072918.db2.gz UGIYVLVDANNKDG-UONOGXRCSA-N 2 2 375.922 1.365 20 0 GDADLP CC1(C)CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333248944 532227279 /nfs/dbraw/zinc/22/72/79/532227279.db2.gz CDOCVXWCMHDSKA-UHFFFAOYSA-N 2 2 398.305 1.896 20 0 GDADLP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333250858 532227405 /nfs/dbraw/zinc/22/74/05/532227405.db2.gz CMCARLRZWOMVNB-JQWIXIFHSA-N 2 2 384.278 1.634 20 0 GDADLP C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000430626445 532253679 /nfs/dbraw/zinc/25/36/79/532253679.db2.gz KXXIOOHPBPZYEN-UHFFFAOYSA-N 2 2 383.290 1.188 20 0 GDADLP C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C1CC[NH2+]CC1 ZINC000430626445 532253685 /nfs/dbraw/zinc/25/36/85/532253685.db2.gz KXXIOOHPBPZYEN-UHFFFAOYSA-N 2 2 383.290 1.188 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939301 532258991 /nfs/dbraw/zinc/25/89/91/532258991.db2.gz KOUVCCHYMKOGQR-NEPJUHHUSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939301 532258996 /nfs/dbraw/zinc/25/89/96/532258996.db2.gz KOUVCCHYMKOGQR-NEPJUHHUSA-N 2 2 388.921 1.198 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)c1cccc2[nH+]ccn21 ZINC000821585983 607298897 /nfs/dbraw/zinc/29/88/97/607298897.db2.gz DVHGMUTZFOXYGY-UHFFFAOYSA-N 2 2 390.451 1.718 20 0 GDADLP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290531 599290033 /nfs/dbraw/zinc/29/00/33/599290033.db2.gz PQHGLHRHKLDWKG-HOCLYGCPSA-N 2 2 378.440 1.336 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133757 598786369 /nfs/dbraw/zinc/78/63/69/598786369.db2.gz SAIQOLCPIFRMHV-GHMZBOCLSA-N 2 2 398.496 1.545 20 0 GDADLP C[C@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820420313 599461628 /nfs/dbraw/zinc/46/16/28/599461628.db2.gz OZOQGCSFXYLTFX-KBPBESRZSA-N 2 2 390.455 1.641 20 0 GDADLP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820126938 599695894 /nfs/dbraw/zinc/69/58/94/599695894.db2.gz FMXHSCMLPVYPJQ-UHFFFAOYSA-N 2 2 397.527 1.631 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331004 607528556 /nfs/dbraw/zinc/52/85/56/607528556.db2.gz PJGQPEIVGVERRF-INIZCTEOSA-N 2 2 394.439 1.026 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331004 607528558 /nfs/dbraw/zinc/52/85/58/607528558.db2.gz PJGQPEIVGVERRF-INIZCTEOSA-N 2 2 394.439 1.026 20 0 GDADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821627151 606411206 /nfs/dbraw/zinc/41/12/06/606411206.db2.gz PGGQUMQJVCNJHZ-UHFFFAOYSA-N 2 2 383.525 1.965 20 0 GDADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821627151 606411208 /nfs/dbraw/zinc/41/12/08/606411208.db2.gz PGGQUMQJVCNJHZ-UHFFFAOYSA-N 2 2 383.525 1.965 20 0 GDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000530244226 649968857 /nfs/dbraw/zinc/96/88/57/649968857.db2.gz WSMWLTQNUNVOHO-LBPRGKRZSA-N 2 2 378.261 1.425 20 0 GDADLP Cc1nc(NCC[NH+]2CCSCC2)cc(NCC[NH+]2CCSCC2)[nH+]1 ZINC000533101740 650042145 /nfs/dbraw/zinc/04/21/45/650042145.db2.gz KVEGLDZGFWATFR-UHFFFAOYSA-N 3 2 382.603 1.706 20 0 GDADLP C[C@H](C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045287 650304233 /nfs/dbraw/zinc/30/42/33/650304233.db2.gz LOEPPWGATJBDMS-BRWVUGGUSA-N 2 2 376.563 1.257 20 0 GDADLP O=S(=O)(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)NC[C@@H]1CCCCO1 ZINC000543171946 650420350 /nfs/dbraw/zinc/42/03/50/650420350.db2.gz MLBNIDDTVJNPFR-HNNXBMFYSA-N 2 2 384.527 1.512 20 0 GDADLP CSC1(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCC1 ZINC000564528996 650760452 /nfs/dbraw/zinc/76/04/52/650760452.db2.gz NOHJWABGXDFWDH-UHFFFAOYSA-N 2 2 384.571 1.409 20 0 GDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)COc1ccccc1Br ZINC000422935253 646101465 /nfs/dbraw/zinc/10/14/65/646101465.db2.gz GYUQNDPBLGOUHT-KBRIMQKVSA-N 2 2 385.302 1.545 20 0 GDADLP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463340856 647557163 /nfs/dbraw/zinc/55/71/63/647557163.db2.gz RJJSBAPZHOMLQB-CALCHBBNSA-N 2 2 375.579 1.385 20 0 GDADLP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463340856 647557167 /nfs/dbraw/zinc/55/71/67/647557167.db2.gz RJJSBAPZHOMLQB-CALCHBBNSA-N 2 2 375.579 1.385 20 0 GDADLP O[C@@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C[NH+]1CCCC1 ZINC000474347388 647759118 /nfs/dbraw/zinc/75/91/18/647759118.db2.gz FRUIXLXIXSZINL-KRWDZBQOSA-N 2 2 398.345 1.832 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000574449902 651543566 /nfs/dbraw/zinc/54/35/66/651543566.db2.gz FWGTVUFAKSIMKY-GOSISDBHSA-N 2 2 397.361 1.719 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000574449902 651543568 /nfs/dbraw/zinc/54/35/68/651543568.db2.gz FWGTVUFAKSIMKY-GOSISDBHSA-N 2 2 397.361 1.719 20 0 GDADLP CN(C(=O)Cn1cc(Br)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601474067 652586386 /nfs/dbraw/zinc/58/63/86/652586386.db2.gz LFWYVUZEXYWEHQ-OAHLLOKOSA-N 2 2 384.322 1.273 20 0 GDADLP CN(C(=O)Cn1cc(Br)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601474067 652586389 /nfs/dbraw/zinc/58/63/89/652586389.db2.gz LFWYVUZEXYWEHQ-OAHLLOKOSA-N 2 2 384.322 1.273 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000630611632 653218351 /nfs/dbraw/zinc/21/83/51/653218351.db2.gz HYIRJJUMMOQTIO-QGZVFWFLSA-N 3 2 395.349 1.972 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000630611632 653218354 /nfs/dbraw/zinc/21/83/54/653218354.db2.gz HYIRJJUMMOQTIO-QGZVFWFLSA-N 3 2 395.349 1.972 20 0 GDADLP CC[N@H+](CCCNS(=O)(=O)CCC[NH+]1CCOCC1)C1CCCCC1 ZINC000651804559 653858544 /nfs/dbraw/zinc/85/85/44/653858544.db2.gz KOARVVMCGGWYBY-UHFFFAOYSA-N 2 2 375.579 1.673 20 0 GDADLP CC[N@@H+](CCCNS(=O)(=O)CCC[NH+]1CCOCC1)C1CCCCC1 ZINC000651804559 653858549 /nfs/dbraw/zinc/85/85/49/653858549.db2.gz KOARVVMCGGWYBY-UHFFFAOYSA-N 2 2 375.579 1.673 20 0 GDADLP C[NH+]1CCN(CCCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662754585 654301485 /nfs/dbraw/zinc/30/14/85/654301485.db2.gz RLFAKOVRZWBUFC-UHFFFAOYSA-N 2 2 387.347 1.481 20 0 GDADLP Cn1cc(Br)cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1=O ZINC000666287863 654422814 /nfs/dbraw/zinc/42/28/14/654422814.db2.gz QBLJWSXHTHRUMM-UHFFFAOYSA-N 2 2 388.310 1.153 20 0 GDADLP Cn1cc(Br)cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1=O ZINC000666287863 654422819 /nfs/dbraw/zinc/42/28/19/654422819.db2.gz QBLJWSXHTHRUMM-UHFFFAOYSA-N 2 2 388.310 1.153 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000792911483 655101428 /nfs/dbraw/zinc/10/14/28/655101428.db2.gz XCBDVMYBXFGJCE-INMHGKMJSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000792911483 655101429 /nfs/dbraw/zinc/10/14/29/655101429.db2.gz XCBDVMYBXFGJCE-INMHGKMJSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000792911483 655101430 /nfs/dbraw/zinc/10/14/30/655101430.db2.gz XCBDVMYBXFGJCE-INMHGKMJSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)C1 ZINC000792911483 655101432 /nfs/dbraw/zinc/10/14/32/655101432.db2.gz XCBDVMYBXFGJCE-INMHGKMJSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)[NH+](CCS(=O)(=O)CC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000812861068 655221866 /nfs/dbraw/zinc/22/18/66/655221866.db2.gz FONADRDFADDHQI-QZTJIDSGSA-N 2 2 376.563 1.400 20 0 GDADLP CC(C)[NH+](CCS(=O)(=O)CC[N@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000812861068 655221867 /nfs/dbraw/zinc/22/18/67/655221867.db2.gz FONADRDFADDHQI-QZTJIDSGSA-N 2 2 376.563 1.400 20 0 GDADLP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cc(Br)no1 ZINC000878016053 656701808 /nfs/dbraw/zinc/70/18/08/656701808.db2.gz OVEHQFXIDWLEGG-AWEZNQCLSA-N 2 2 388.306 1.905 20 0 GDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(Br)nc2N)CC1 ZINC000929954158 656993130 /nfs/dbraw/zinc/99/31/30/656993130.db2.gz UMSFZWIDCQPZJU-UHFFFAOYSA-N 2 2 384.322 1.316 20 0 GDADLP Cc1[nH]nc(Br)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000931217300 657081323 /nfs/dbraw/zinc/08/13/23/657081323.db2.gz OZGRZBMHWSUDMF-UHFFFAOYSA-N 2 2 384.322 1.769 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000884230423 657337628 /nfs/dbraw/zinc/33/76/28/657337628.db2.gz RFCPBXRDNALIHC-CZUORRHYSA-N 2 2 382.302 1.630 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227838 657337649 /nfs/dbraw/zinc/33/76/49/657337649.db2.gz ZEURQKOBHSMRCM-BBRMVZONSA-N 2 2 382.302 1.630 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903934437 659389607 /nfs/dbraw/zinc/38/96/07/659389607.db2.gz HGFHRQWBSLQRRR-ZDUSSCGKSA-N 2 2 381.278 1.659 20 0 GDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914328046 660139945 /nfs/dbraw/zinc/13/99/45/660139945.db2.gz DYHWSBYZRVPAIA-HZPDHXFCSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914328046 660139947 /nfs/dbraw/zinc/13/99/47/660139947.db2.gz DYHWSBYZRVPAIA-HZPDHXFCSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914328046 660139948 /nfs/dbraw/zinc/13/99/48/660139948.db2.gz DYHWSBYZRVPAIA-HZPDHXFCSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914328046 660139949 /nfs/dbraw/zinc/13/99/49/660139949.db2.gz DYHWSBYZRVPAIA-HZPDHXFCSA-N 2 2 380.583 1.985 20 0 GDADLP CCOc1cc[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709522 719906498 /nfs/dbraw/zinc/90/64/98/719906498.db2.gz XWCJDUHQJGPDJX-UHFFFAOYSA-N 2 2 384.484 1.164 20 0 GDADLP Cc1c[nH+]c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1N1CCCC1 ZINC001164795206 721508114 /nfs/dbraw/zinc/50/81/14/721508114.db2.gz HDMRKCFRJHNNDG-UHFFFAOYSA-N 2 2 396.543 1.349 20 0 GDADLP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164910309 721543629 /nfs/dbraw/zinc/54/36/29/721543629.db2.gz UCRNAZRLQSHNGY-MJGOQNOKSA-N 2 2 399.470 1.794 20 0 GDADLP Fc1cccc(O[C@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164910309 721543634 /nfs/dbraw/zinc/54/36/34/721543634.db2.gz UCRNAZRLQSHNGY-MJGOQNOKSA-N 2 2 399.470 1.794 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571281659 945809899 /nfs/dbraw/zinc/80/98/99/945809899.db2.gz KXAYRGNBRUYYAK-WMLDXEAASA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571281659 945809913 /nfs/dbraw/zinc/80/99/13/945809913.db2.gz KXAYRGNBRUYYAK-WMLDXEAASA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571281659 945809919 /nfs/dbraw/zinc/80/99/19/945809919.db2.gz KXAYRGNBRUYYAK-WMLDXEAASA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571281659 945809928 /nfs/dbraw/zinc/80/99/28/945809928.db2.gz KXAYRGNBRUYYAK-WMLDXEAASA-N 2 2 387.463 1.181 20 0 GDADLP CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060239 947421216 /nfs/dbraw/zinc/42/12/16/947421216.db2.gz IYHDYLFOTXKZLY-ZWKOTPCHSA-N 2 2 383.500 1.335 20 0 GDADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574695047 949099672 /nfs/dbraw/zinc/09/96/72/949099672.db2.gz YYYWGIULUFDKFS-LLVKDONJSA-N 2 2 388.501 1.566 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264365 949425290 /nfs/dbraw/zinc/42/52/90/949425290.db2.gz NVYRJWKQPAFHIA-SWLSCSKDSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264365 949425311 /nfs/dbraw/zinc/42/53/11/949425311.db2.gz NVYRJWKQPAFHIA-SWLSCSKDSA-N 2 2 389.529 1.349 20 0 GDADLP CC(C)C[C@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574125496 949591933 /nfs/dbraw/zinc/59/19/33/949591933.db2.gz QVGIQLCLUFHMDD-MRXNPFEDSA-N 2 2 383.460 1.038 20 0 GDADLP C[C@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878800 949681012 /nfs/dbraw/zinc/68/10/12/949681012.db2.gz PFDQGDYEVCSCDY-XJKSGUPXSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878800 949681022 /nfs/dbraw/zinc/68/10/22/949681022.db2.gz PFDQGDYEVCSCDY-XJKSGUPXSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575900241 950190911 /nfs/dbraw/zinc/19/09/11/950190911.db2.gz COZVMALXYIDPNS-MEDUHNTESA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576202877 950438249 /nfs/dbraw/zinc/43/82/49/950438249.db2.gz DNTTUZBGSWQQGL-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576202877 950438265 /nfs/dbraw/zinc/43/82/65/950438265.db2.gz DNTTUZBGSWQQGL-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576202877 950438278 /nfs/dbraw/zinc/43/82/78/950438278.db2.gz DNTTUZBGSWQQGL-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576202877 950438295 /nfs/dbraw/zinc/43/82/95/950438295.db2.gz DNTTUZBGSWQQGL-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574510017 950540315 /nfs/dbraw/zinc/54/03/15/950540315.db2.gz YHFXWLNWKJCWSH-CYBMUJFWSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@H](CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574510017 950540337 /nfs/dbraw/zinc/54/03/37/950540337.db2.gz YHFXWLNWKJCWSH-CYBMUJFWSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001574774060 951002621 /nfs/dbraw/zinc/00/26/21/951002621.db2.gz BSNNPJTYWXNPCE-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001574774060 951002640 /nfs/dbraw/zinc/00/26/40/951002640.db2.gz BSNNPJTYWXNPCE-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078239 951679277 /nfs/dbraw/zinc/67/92/77/951679277.db2.gz KEAYULRSKYBJDH-LBPRGKRZSA-N 2 2 386.435 1.204 20 0 GDADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090123 951757419 /nfs/dbraw/zinc/75/74/19/951757419.db2.gz JKIQCCXHEWPZBA-KGLIPLIRSA-N 2 2 382.472 1.311 20 0 GDADLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001575105458 951893735 /nfs/dbraw/zinc/89/37/35/951893735.db2.gz JYRWKSVACVEHHQ-HUUCEWRRSA-N 2 2 382.472 1.556 20 0 GDADLP C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001575105612 951896583 /nfs/dbraw/zinc/89/65/83/951896583.db2.gz LLUKIAJVHCEYMX-IBGZPJMESA-N 2 2 380.456 1.207 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001575109753 951933178 /nfs/dbraw/zinc/93/31/78/951933178.db2.gz UWEHQLZXSDEFCJ-HUUCEWRRSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001575148155 952202216 /nfs/dbraw/zinc/20/22/16/952202216.db2.gz YEMDPXAGNHAWQI-NSHDSACASA-N 2 2 377.412 1.133 20 0 GDADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH+]c[nH]1 ZINC001571165439 952751152 /nfs/dbraw/zinc/75/11/52/952751152.db2.gz DCWYIKOIASZKKS-CQSZACIVSA-N 2 2 380.456 1.258 20 0 GDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171773 952797063 /nfs/dbraw/zinc/79/70/63/952797063.db2.gz GHBYWRLPSCWMAG-WBVHZDCISA-N 2 2 380.456 1.207 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171924 952799393 /nfs/dbraw/zinc/79/93/93/952799393.db2.gz IOPSHBNJZVWDMC-KRWDZBQOSA-N 2 2 380.456 1.234 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171924 952799394 /nfs/dbraw/zinc/79/93/94/952799394.db2.gz IOPSHBNJZVWDMC-KRWDZBQOSA-N 2 2 380.456 1.234 20 0 GDADLP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571252918 953334227 /nfs/dbraw/zinc/33/42/27/953334227.db2.gz ZAABCDQAXWAHCZ-UAGQMJEPSA-N 2 2 384.488 1.172 20 0 GDADLP O=S(=O)(C1CC1)N1CCC([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000180179261 530759438 /nfs/dbraw/zinc/75/94/38/530759438.db2.gz IDWDRRXJJWGYBX-UHFFFAOYSA-N 2 2 383.480 1.949 20 0 GDADLP Cn1cc(Br)cc1C[N@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000180614961 530768470 /nfs/dbraw/zinc/76/84/70/530768470.db2.gz XSAVJHQUDYKTHH-UHFFFAOYSA-N 2 2 393.333 1.961 20 0 GDADLP Cn1cc(Br)cc1C[N@@H+](C)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000180614961 530768471 /nfs/dbraw/zinc/76/84/71/530768471.db2.gz XSAVJHQUDYKTHH-UHFFFAOYSA-N 2 2 393.333 1.961 20 0 GDADLP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000261756063 531097678 /nfs/dbraw/zinc/09/76/78/531097678.db2.gz JKWBKJAUQOJMNK-RPVQJOFSSA-N 2 2 396.329 1.802 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2csc(Br)c2)CN1CC[NH+]1CCOCC1 ZINC000265866582 531294378 /nfs/dbraw/zinc/29/43/78/531294378.db2.gz OLBNLERKFNFWSN-CYBMUJFWSA-N 2 2 388.331 1.533 20 0 GDADLP C[C@@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000482956790 531405021 /nfs/dbraw/zinc/40/50/21/531405021.db2.gz HDXVOIVPIPBNON-CYBMUJFWSA-N 2 2 399.333 1.722 20 0 GDADLP CCOc1cc(C[NH2+]CC[NH2+]C)cc(Br)c1OCC(=O)N(C)C ZINC000414833518 531464110 /nfs/dbraw/zinc/46/41/10/531464110.db2.gz SJHRLTUPGLUGJH-UHFFFAOYSA-N 2 2 388.306 1.624 20 0 GDADLP COCC[NH2+]CC[NH2+]Cc1cc(I)c(OC)c(OC)c1 ZINC000414866277 531464721 /nfs/dbraw/zinc/46/47/21/531464721.db2.gz AFZLTWDXDOIXDK-UHFFFAOYSA-N 2 2 394.253 1.634 20 0 GDADLP COC(=O)C[C@H]1CSCC[NH+]1CCC[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000489289811 531496019 /nfs/dbraw/zinc/49/60/19/531496019.db2.gz KFYPJCCXGYOMHM-GJZGRUSLSA-N 2 2 390.571 1.338 20 0 GDADLP COC(=O)C[C@H]1CSCC[NH+]1CCC[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000489289811 531496027 /nfs/dbraw/zinc/49/60/27/531496027.db2.gz KFYPJCCXGYOMHM-GJZGRUSLSA-N 2 2 390.571 1.338 20 0 GDADLP CNC(=O)[C@@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000294825227 531499485 /nfs/dbraw/zinc/49/94/85/531499485.db2.gz RWIMLRXUZSCKKZ-GFCCVEGCSA-N 2 2 381.274 1.949 20 0 GDADLP C[N@@H+]1CC[C@H](CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000636008127 531530141 /nfs/dbraw/zinc/53/01/41/531530141.db2.gz FDNWOAXSPPYOID-GFCCVEGCSA-N 2 2 383.290 1.961 20 0 GDADLP C[N@H+]1CC[C@H](CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000636008127 531530145 /nfs/dbraw/zinc/53/01/45/531530145.db2.gz FDNWOAXSPPYOID-GFCCVEGCSA-N 2 2 383.290 1.961 20 0 GDADLP Cn1ncc(Br)c1C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000494953423 531623628 /nfs/dbraw/zinc/62/36/28/531623628.db2.gz FRQBQSBHJYRPIF-UHFFFAOYSA-N 2 2 398.349 1.559 20 0 GDADLP C[NH+](C)CCSc1nc2ccsc2c(=O)n1CCC[NH+]1CCOCC1 ZINC000615949753 531632281 /nfs/dbraw/zinc/63/22/81/531632281.db2.gz AFIFZDBVVUVJLI-UHFFFAOYSA-N 2 2 382.555 1.834 20 0 GDADLP O=C(NCC1CC[NH2+]CC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000667671789 531783202 /nfs/dbraw/zinc/78/32/02/531783202.db2.gz POJJPCCOBNFMMH-UHFFFAOYSA-N 2 2 398.305 1.802 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@H](C[NH3+])C3)[nH+]c12 ZINC000418015860 531796953 /nfs/dbraw/zinc/79/69/53/531796953.db2.gz FEEBHQJQWQILJE-CYBMUJFWSA-N 2 2 382.262 1.274 20 0 GDADLP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418674523 531832999 /nfs/dbraw/zinc/83/29/99/531832999.db2.gz QJQKPBJTFBRHMK-NHAGDIPZSA-N 2 2 394.273 1.668 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440117 531843866 /nfs/dbraw/zinc/84/38/66/531843866.db2.gz HNXPUOBKZAMOFG-GJZGRUSLSA-N 2 2 385.295 1.196 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000563440117 531843868 /nfs/dbraw/zinc/84/38/68/531843868.db2.gz HNXPUOBKZAMOFG-GJZGRUSLSA-N 2 2 385.295 1.196 20 0 GDADLP O=C(NCCn1cc[nH+]c1)c1sc2c(c1I)C[NH2+]C2 ZINC000595948415 531895714 /nfs/dbraw/zinc/89/57/14/531895714.db2.gz WQLMVRVPXDHNDF-UHFFFAOYSA-N 2 2 388.234 1.582 20 0 GDADLP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CS1 ZINC000655716724 531975168 /nfs/dbraw/zinc/97/51/68/531975168.db2.gz YITFKFFVRYSKSO-RDJZCZTQSA-N 2 2 383.583 1.996 20 0 GDADLP COc1c(Br)cccc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000370419308 531987226 /nfs/dbraw/zinc/98/72/26/531987226.db2.gz UUNDPSXXNWPKGI-INIZCTEOSA-N 2 2 398.345 1.954 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000285753249 532110736 /nfs/dbraw/zinc/11/07/36/532110736.db2.gz YYPDHFOITVMKMT-UHFFFAOYSA-N 2 2 399.333 1.956 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000285753249 532110740 /nfs/dbraw/zinc/11/07/40/532110740.db2.gz YYPDHFOITVMKMT-UHFFFAOYSA-N 2 2 399.333 1.956 20 0 GDADLP COCC[N@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273651612 532162520 /nfs/dbraw/zinc/16/25/20/532162520.db2.gz IUKOHBOGEKRHIC-UHFFFAOYSA-N 2 2 398.305 1.783 20 0 GDADLP COCC[N@@H+](C)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000273651612 532162525 /nfs/dbraw/zinc/16/25/25/532162525.db2.gz IUKOHBOGEKRHIC-UHFFFAOYSA-N 2 2 398.305 1.783 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1CCC[NH2+]CC1 ZINC000333339769 532229841 /nfs/dbraw/zinc/22/98/41/532229841.db2.gz PNKDOLWLZOFWJV-UHFFFAOYSA-N 2 2 384.278 1.508 20 0 GDADLP C[NH+](C)C1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333190378 532224442 /nfs/dbraw/zinc/22/44/42/532224442.db2.gz NZMKXUDCAGPABU-UHFFFAOYSA-N 2 2 384.278 1.458 20 0 GDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000430592274 532252225 /nfs/dbraw/zinc/25/22/25/532252225.db2.gz PXNZGRAUTFNWGR-PBHICJAKSA-N 2 2 387.571 1.227 20 0 GDADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736573584 599286986 /nfs/dbraw/zinc/28/69/86/599286986.db2.gz ZXDQGLLMPLMJMS-LLVKDONJSA-N 2 2 389.529 1.818 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736851912 598269002 /nfs/dbraw/zinc/26/90/02/598269002.db2.gz MOFVGFMLMAJYEX-UHFFFAOYSA-N 2 2 386.504 1.034 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000736851912 598269003 /nfs/dbraw/zinc/26/90/03/598269003.db2.gz MOFVGFMLMAJYEX-UHFFFAOYSA-N 2 2 386.504 1.034 20 0 GDADLP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)cc1 ZINC000823196241 599443046 /nfs/dbraw/zinc/44/30/46/599443046.db2.gz AFRVCJQBYFBNRH-UHFFFAOYSA-N 2 2 395.467 1.575 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000822195034 599531767 /nfs/dbraw/zinc/53/17/67/599531767.db2.gz DUMWTMOSFSOFPP-CABCVRRESA-N 2 2 381.484 1.923 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000822195034 599531768 /nfs/dbraw/zinc/53/17/68/599531768.db2.gz DUMWTMOSFSOFPP-CABCVRRESA-N 2 2 381.484 1.923 20 0 GDADLP CCOC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000821367669 599537674 /nfs/dbraw/zinc/53/76/74/599537674.db2.gz LVSDMHCYUFGHQO-HNNXBMFYSA-N 2 2 397.483 1.243 20 0 GDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820656904 599676187 /nfs/dbraw/zinc/67/61/87/599676187.db2.gz ICUFFPBDHULAPA-MAUKXSAKSA-N 2 2 398.515 1.177 20 0 GDADLP C[C@H]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@H+]1C ZINC000820656904 599676188 /nfs/dbraw/zinc/67/61/88/599676188.db2.gz ICUFFPBDHULAPA-MAUKXSAKSA-N 2 2 398.515 1.177 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](C(C)(C)CO)CC3)c2c1 ZINC000822195040 606219588 /nfs/dbraw/zinc/21/95/88/606219588.db2.gz DYFRPVCXCBQJDF-UHFFFAOYSA-N 2 2 381.484 1.925 20 0 GDADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414574 607014005 /nfs/dbraw/zinc/01/40/05/607014005.db2.gz ZIAGRMRPQPBOFA-MRXNPFEDSA-N 2 2 385.516 1.314 20 0 GDADLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825860877 607827094 /nfs/dbraw/zinc/82/70/94/607827094.db2.gz ZTWUONGDSBIOHF-UHFFFAOYSA-N 2 2 392.529 1.304 20 0 GDADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194096 608170643 /nfs/dbraw/zinc/17/06/43/608170643.db2.gz AKRICSRMJVINHV-CRAIPNDOSA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194096 608170644 /nfs/dbraw/zinc/17/06/44/608170644.db2.gz AKRICSRMJVINHV-CRAIPNDOSA-N 2 2 385.516 1.333 20 0 GDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826330632 608451938 /nfs/dbraw/zinc/45/19/38/608451938.db2.gz BJTZBBOKYGAOOA-AWEZNQCLSA-N 2 2 382.476 1.153 20 0 GDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@@H]1C ZINC000826330632 608451940 /nfs/dbraw/zinc/45/19/40/608451940.db2.gz BJTZBBOKYGAOOA-AWEZNQCLSA-N 2 2 382.476 1.153 20 0 GDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909406 608654378 /nfs/dbraw/zinc/65/43/78/608654378.db2.gz TUWSWUDZGGHGSW-HUUCEWRRSA-N 2 2 375.546 1.919 20 0 GDADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ncc(Br)s1 ZINC000534495853 650222581 /nfs/dbraw/zinc/22/25/81/650222581.db2.gz VQAUNYZGNKVWOM-CYBMUJFWSA-N 2 2 391.379 1.946 20 0 GDADLP O[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1ccccc1Br ZINC000422935254 646101461 /nfs/dbraw/zinc/10/14/61/646101461.db2.gz GYUQNDPBLGOUHT-XOKHGSTOSA-N 2 2 385.302 1.545 20 0 GDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422954444 646103252 /nfs/dbraw/zinc/10/32/52/646103252.db2.gz ISTRCZSGSIPRHF-HOTGVXAUSA-N 2 2 382.302 1.536 20 0 GDADLP CC[NH+](CC)C[C@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850979 647567254 /nfs/dbraw/zinc/56/72/54/647567254.db2.gz ZEVFGGDFWSQOPO-QZTJIDSGSA-N 2 2 375.579 1.529 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000575055705 651579539 /nfs/dbraw/zinc/57/95/39/651579539.db2.gz CUYUZJWEYXANQT-GOSISDBHSA-N 2 2 397.361 1.767 20 0 GDADLP Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617763129 652976267 /nfs/dbraw/zinc/97/62/67/652976267.db2.gz GEHMXJMYPYBDCQ-UHFFFAOYSA-N 2 2 396.333 1.949 20 0 GDADLP Cn1nc2cc(Br)ccc2c1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617763129 652976269 /nfs/dbraw/zinc/97/62/69/652976269.db2.gz GEHMXJMYPYBDCQ-UHFFFAOYSA-N 2 2 396.333 1.949 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000629602450 653176851 /nfs/dbraw/zinc/17/68/51/653176851.db2.gz FLWULFQOTQBMPH-WBMJQRKESA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000629602450 653176861 /nfs/dbraw/zinc/17/68/61/653176861.db2.gz FLWULFQOTQBMPH-WBMJQRKESA-N 2 2 390.311 1.663 20 0 GDADLP C[C@@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857742 653261321 /nfs/dbraw/zinc/26/13/21/653261321.db2.gz MNQVXJLYDRQCCG-VXGBXAGGSA-N 2 2 388.921 1.340 20 0 GDADLP C[C@@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857742 653261325 /nfs/dbraw/zinc/26/13/25/653261325.db2.gz MNQVXJLYDRQCCG-VXGBXAGGSA-N 2 2 388.921 1.340 20 0 GDADLP C[C@H]1C[C@@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857740 653261446 /nfs/dbraw/zinc/26/14/46/653261446.db2.gz MNQVXJLYDRQCCG-NWDGAFQWSA-N 2 2 388.921 1.340 20 0 GDADLP C[C@H]1C[C@@H]([NH3+])C[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857740 653261449 /nfs/dbraw/zinc/26/14/49/653261449.db2.gz MNQVXJLYDRQCCG-NWDGAFQWSA-N 2 2 388.921 1.340 20 0 GDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638594584 653541204 /nfs/dbraw/zinc/54/12/04/653541204.db2.gz JQPFFOCDOIOPAP-UKRRQHHQSA-N 2 2 375.560 1.622 20 0 GDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638594584 653541206 /nfs/dbraw/zinc/54/12/06/653541206.db2.gz JQPFFOCDOIOPAP-UKRRQHHQSA-N 2 2 375.560 1.622 20 0 GDADLP C[C@@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ncc(Br)cn1 ZINC000664954269 654394602 /nfs/dbraw/zinc/39/46/02/654394602.db2.gz CKELRYOLDLQGHN-GFCCVEGCSA-N 2 2 387.326 1.483 20 0 GDADLP C[C@@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ncc(Br)cn1 ZINC000664954269 654394609 /nfs/dbraw/zinc/39/46/09/654394609.db2.gz CKELRYOLDLQGHN-GFCCVEGCSA-N 2 2 387.326 1.483 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)C2)CC1 ZINC000762589449 655170930 /nfs/dbraw/zinc/17/09/30/655170930.db2.gz SSYLLHFRBLEBAV-SVGFKBNWSA-N 2 2 384.615 1.834 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4SCCS[C@@H]34)C2)CC1 ZINC000762589449 655170933 /nfs/dbraw/zinc/17/09/33/655170933.db2.gz SSYLLHFRBLEBAV-SVGFKBNWSA-N 2 2 384.615 1.834 20 0 GDADLP CN([C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010197 655986724 /nfs/dbraw/zinc/98/67/24/655986724.db2.gz MKSGCZQHFVJHEK-HOTGVXAUSA-N 2 2 394.607 1.228 20 0 GDADLP CN([C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010197 655986726 /nfs/dbraw/zinc/98/67/26/655986726.db2.gz MKSGCZQHFVJHEK-HOTGVXAUSA-N 2 2 394.607 1.228 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870894356 656253665 /nfs/dbraw/zinc/25/36/65/656253665.db2.gz QILNRZFSMDXFDA-BBRMVZONSA-N 2 2 382.302 1.630 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cnc(Br)cn1 ZINC000923531849 656564120 /nfs/dbraw/zinc/56/41/20/656564120.db2.gz LNOLCCKNIIKEAO-UHFFFAOYSA-N 2 2 399.337 1.407 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1cnc(Br)cn1 ZINC000923531849 656564124 /nfs/dbraw/zinc/56/41/24/656564124.db2.gz LNOLCCKNIIKEAO-UHFFFAOYSA-N 2 2 399.337 1.407 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ccc4nnc(Br)n4n3)C2)CC1 ZINC000881977003 657009599 /nfs/dbraw/zinc/00/95/99/657009599.db2.gz QOPIQOYRUAGUNN-LLVKDONJSA-N 2 2 380.294 1.467 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ccc4nnc(Br)n4n3)C2)CC1 ZINC000881977003 657009604 /nfs/dbraw/zinc/00/96/04/657009604.db2.gz QOPIQOYRUAGUNN-LLVKDONJSA-N 2 2 380.294 1.467 20 0 GDADLP CN(C(=O)c1ccc(Br)[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578422 657201051 /nfs/dbraw/zinc/20/10/51/657201051.db2.gz VIOOBOAOWJPQLE-CYBMUJFWSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1ccc(Br)[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578422 657201057 /nfs/dbraw/zinc/20/10/57/657201057.db2.gz VIOOBOAOWJPQLE-CYBMUJFWSA-N 2 2 397.317 1.790 20 0 GDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234238 657338064 /nfs/dbraw/zinc/33/80/64/657338064.db2.gz MRNGHTOUVLNEIB-QGZVFWFLSA-N 2 2 397.361 1.983 20 0 GDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234238 657338081 /nfs/dbraw/zinc/33/80/81/657338081.db2.gz MRNGHTOUVLNEIB-QGZVFWFLSA-N 2 2 397.361 1.983 20 0 GDADLP CCNS(=O)(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894231034 658525287 /nfs/dbraw/zinc/52/52/87/658525287.db2.gz UYRNCVKSONWYEL-UHFFFAOYSA-N 2 2 379.429 1.099 20 0 GDADLP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCN(c2ncc(I)cn2)CC1 ZINC000903476910 659316007 /nfs/dbraw/zinc/31/60/07/659316007.db2.gz NLFAZTJNWSILDJ-NEPJUHHUSA-N 2 2 387.269 1.059 20 0 GDADLP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755418 659379012 /nfs/dbraw/zinc/37/90/12/659379012.db2.gz GYMYADAQTNIQOI-YQQAZPJKSA-N 2 2 382.302 1.676 20 0 GDADLP C[N@@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755418 659379018 /nfs/dbraw/zinc/37/90/18/659379018.db2.gz GYMYADAQTNIQOI-YQQAZPJKSA-N 2 2 382.302 1.676 20 0 GDADLP COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C[NH+](C)C)ccn1 ZINC001164708182 719873624 /nfs/dbraw/zinc/87/36/24/719873624.db2.gz YASNVCLKDKCNRG-FXAWDEMLSA-N 2 2 376.501 1.376 20 0 GDADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807515 720139062 /nfs/dbraw/zinc/13/90/62/720139062.db2.gz CRKGQJSJMDQWFM-NQIIRXRSSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807515 720139071 /nfs/dbraw/zinc/13/90/71/720139071.db2.gz CRKGQJSJMDQWFM-NQIIRXRSSA-N 2 2 387.528 1.498 20 0 GDADLP Cn1nnc2c1CCN(c1cc(N)cc(Cl)[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717057 720177516 /nfs/dbraw/zinc/17/75/16/720177516.db2.gz JVUDMQJXOXVWNE-OAHLLOKOSA-N 2 2 391.907 1.662 20 0 GDADLP Cc1c[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1N ZINC001164831230 720468481 /nfs/dbraw/zinc/46/84/81/720468481.db2.gz NVEVLJBEGZXHSI-MRXNPFEDSA-N 2 2 386.500 1.158 20 0 GDADLP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745897 720756750 /nfs/dbraw/zinc/75/67/50/720756750.db2.gz WFZQVQBCIZMCFM-SJORKVTESA-N 2 2 381.484 1.599 20 0 GDADLP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745897 720756756 /nfs/dbraw/zinc/75/67/56/720756756.db2.gz WFZQVQBCIZMCFM-SJORKVTESA-N 2 2 381.484 1.599 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164769136 721083284 /nfs/dbraw/zinc/08/32/84/721083284.db2.gz OIGYTJLYZHCMBP-ZWKOTPCHSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164769136 721083289 /nfs/dbraw/zinc/08/32/89/721083289.db2.gz OIGYTJLYZHCMBP-ZWKOTPCHSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(N2C[C@@]3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)CC2=O)cn1 ZINC001164887444 721372245 /nfs/dbraw/zinc/37/22/45/721372245.db2.gz RMTUVOIJRXPYQL-NRFANRHFSA-N 2 2 395.511 1.200 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164783638 721415733 /nfs/dbraw/zinc/41/57/33/721415733.db2.gz JCPDZPYXEMRDQR-TXEJJXNPSA-N 2 2 384.465 1.769 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)c12 ZINC001164783638 721415735 /nfs/dbraw/zinc/41/57/35/721415735.db2.gz JCPDZPYXEMRDQR-TXEJJXNPSA-N 2 2 384.465 1.769 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CC(C(=O)NC5CCC5)C[C@H]4C3)[nH+]2)CC1 ZINC001164972056 722085266 /nfs/dbraw/zinc/08/52/66/722085266.db2.gz KOHKIVQISQCNFR-ROUUACIJSA-N 2 2 383.540 1.965 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272064 945653842 /nfs/dbraw/zinc/65/38/42/945653842.db2.gz OBWQFRZJGNPAAN-CYBMUJFWSA-N 2 2 386.485 1.166 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272064 945653847 /nfs/dbraw/zinc/65/38/47/945653847.db2.gz OBWQFRZJGNPAAN-CYBMUJFWSA-N 2 2 386.485 1.166 20 0 GDADLP CC[C@@H](C(=O)N1CCC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571294537 946139047 /nfs/dbraw/zinc/13/90/47/946139047.db2.gz IOMUPUIYDIEHLV-KRWDZBQOSA-N 2 2 389.479 1.380 20 0 GDADLP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571294537 946139050 /nfs/dbraw/zinc/13/90/50/946139050.db2.gz IOMUPUIYDIEHLV-KRWDZBQOSA-N 2 2 389.479 1.380 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571312789 946502580 /nfs/dbraw/zinc/50/25/80/946502580.db2.gz DCAFHYGLQBMVAX-NXHRZFHOSA-N 2 2 392.467 1.362 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571312789 946502586 /nfs/dbraw/zinc/50/25/86/946502586.db2.gz DCAFHYGLQBMVAX-NXHRZFHOSA-N 2 2 392.467 1.362 20 0 GDADLP C[C@H](CN1CCOCC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824420511 946701002 /nfs/dbraw/zinc/70/10/02/946701002.db2.gz LQYLKZCJJOLWOH-MRXNPFEDSA-N 2 2 385.516 1.141 20 0 GDADLP OC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826507362 948426973 /nfs/dbraw/zinc/42/69/73/948426973.db2.gz NGOQSWGMTQQKDA-HNNXBMFYSA-N 2 2 384.406 1.734 20 0 GDADLP c1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826526877 948464461 /nfs/dbraw/zinc/46/44/61/948464461.db2.gz QFBNPBKHQLSBKE-QGZVFWFLSA-N 2 2 379.472 1.027 20 0 GDADLP CC(C)C[C@H](C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574124431 949571090 /nfs/dbraw/zinc/57/10/90/949571090.db2.gz HTLFYIMGYMSVKH-CZUORRHYSA-N 2 2 383.460 1.084 20 0 GDADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717093 949724197 /nfs/dbraw/zinc/72/41/97/949724197.db2.gz UGJMTNWTTSTTAP-OLZOCXBDSA-N 2 2 388.501 1.713 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882726 949788320 /nfs/dbraw/zinc/78/83/20/949788320.db2.gz NOLQVRTVPDMUPP-OCCSQVGLSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882726 949788332 /nfs/dbraw/zinc/78/83/32/949788332.db2.gz NOLQVRTVPDMUPP-OCCSQVGLSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H](CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574485724 949931987 /nfs/dbraw/zinc/93/19/87/949931987.db2.gz ZOKNGPNMFLQRKI-CQSZACIVSA-N 2 2 381.444 1.148 20 0 GDADLP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574498455 950275155 /nfs/dbraw/zinc/27/51/55/950275155.db2.gz NPTOBJHYYRTSPA-AWEZNQCLSA-N 2 2 380.456 1.453 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001574524470 950863629 /nfs/dbraw/zinc/86/36/29/950863629.db2.gz WVAMWPHOQJTJNL-QWHCGFSZSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114025 951951134 /nfs/dbraw/zinc/95/11/34/951951134.db2.gz KVRCIJJVMLBRFQ-KBPBESRZSA-N 2 2 382.472 1.311 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000182953005 530807600 /nfs/dbraw/zinc/80/76/00/530807600.db2.gz RMJBEDUSWFBIGR-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000182953005 530807602 /nfs/dbraw/zinc/80/76/02/530807602.db2.gz RMJBEDUSWFBIGR-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000261658405 531095304 /nfs/dbraw/zinc/09/53/04/531095304.db2.gz FYLFAEKJEOYUFN-GFCCVEGCSA-N 2 2 383.290 1.175 20 0 GDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000261658405 531095306 /nfs/dbraw/zinc/09/53/06/531095306.db2.gz FYLFAEKJEOYUFN-GFCCVEGCSA-N 2 2 383.290 1.175 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254257 531223951 /nfs/dbraw/zinc/22/39/51/531223951.db2.gz QEYDIVLWXYOAJX-IUODEOHRSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254257 531223952 /nfs/dbraw/zinc/22/39/52/531223952.db2.gz QEYDIVLWXYOAJX-IUODEOHRSA-N 2 2 375.270 1.741 20 0 GDADLP CS[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000443053653 531384089 /nfs/dbraw/zinc/38/40/89/531384089.db2.gz VHWNRLZUWSPFCD-CVEARBPZSA-N 2 2 380.539 1.598 20 0 GDADLP CS[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@H]1[NH+](C)C ZINC000443053660 531384255 /nfs/dbraw/zinc/38/42/55/531384255.db2.gz VHWNRLZUWSPFCD-HZPDHXFCSA-N 2 2 380.539 1.598 20 0 GDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000412965286 531391560 /nfs/dbraw/zinc/39/15/60/531391560.db2.gz BSGRGHXEPVFSKZ-QGZVFWFLSA-N 2 2 396.329 1.860 20 0 GDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000412965286 531391565 /nfs/dbraw/zinc/39/15/65/531391565.db2.gz BSGRGHXEPVFSKZ-QGZVFWFLSA-N 2 2 396.329 1.860 20 0 GDADLP O=C(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)NCc1ccc(Cl)s1 ZINC000359997426 531436833 /nfs/dbraw/zinc/43/68/33/531436833.db2.gz JJZWIZHNUIMHIL-UHFFFAOYSA-N 2 2 387.933 1.177 20 0 GDADLP C[NH+](C)CC1(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000636008658 531530220 /nfs/dbraw/zinc/53/02/20/531530220.db2.gz IHNFYZWSPBQOIG-UHFFFAOYSA-N 2 2 383.290 1.961 20 0 GDADLP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280773883 531538215 /nfs/dbraw/zinc/53/82/15/531538215.db2.gz GIVVETRKLIEBJU-GDBMZVCRSA-N 2 2 389.949 1.746 20 0 GDADLP CN(C(=O)CSc1n[nH]c(=S)s1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364350369 531556797 /nfs/dbraw/zinc/55/67/97/531556797.db2.gz XKAJKZSWTFLUOI-LBPRGKRZSA-N 2 2 387.600 1.546 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583806551 531596184 /nfs/dbraw/zinc/59/61/84/531596184.db2.gz XCOKBKZAMNUYMN-XNRPHZJLSA-N 2 2 382.302 1.911 20 0 GDADLP CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053898 531609788 /nfs/dbraw/zinc/60/97/88/531609788.db2.gz MCMJMDJKDFWMLJ-JKSUJKDBSA-N 2 2 397.317 1.118 20 0 GDADLP CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053898 531609795 /nfs/dbraw/zinc/60/97/95/531609795.db2.gz MCMJMDJKDFWMLJ-JKSUJKDBSA-N 2 2 397.317 1.118 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000662717345 531694482 /nfs/dbraw/zinc/69/44/82/531694482.db2.gz OAGDGJLJMFDJQK-OAGGEKHMSA-N 2 2 382.302 1.507 20 0 GDADLP CO[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@H](C[NH3+])C1 ZINC000417214339 531760792 /nfs/dbraw/zinc/76/07/92/531760792.db2.gz GTMSKSHXZXZQNV-UONOGXRCSA-N 2 2 396.289 1.745 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417229667 531762173 /nfs/dbraw/zinc/76/21/73/531762173.db2.gz XZMPZCAEGQYQIB-NEPJUHHUSA-N 2 2 378.274 1.848 20 0 GDADLP C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562809012 531780541 /nfs/dbraw/zinc/78/05/41/531780541.db2.gz OLDSSAMVPJYMFT-SMDDNHRTSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562809012 531780545 /nfs/dbraw/zinc/78/05/45/531780545.db2.gz OLDSSAMVPJYMFT-SMDDNHRTSA-N 2 2 387.297 1.804 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCCO[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418015432 531797865 /nfs/dbraw/zinc/79/78/65/531797865.db2.gz DLVYWNDWJPOMRF-AWEZNQCLSA-N 2 2 396.289 1.664 20 0 GDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000563143230 531812917 /nfs/dbraw/zinc/81/29/17/531812917.db2.gz PCULIQSTVJNWHW-NEPJUHHUSA-N 2 2 381.698 1.354 20 0 GDADLP Cc1cc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)ncc1Br ZINC000623420414 531813941 /nfs/dbraw/zinc/81/39/41/531813941.db2.gz AXRFSPYLQJLKJG-HNNXBMFYSA-N 2 2 383.334 1.649 20 0 GDADLP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419040857 531887182 /nfs/dbraw/zinc/88/71/82/531887182.db2.gz JFVBIAPQFAEBJD-LLVKDONJSA-N 2 2 396.289 1.136 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[nH+]c12 ZINC000419045904 531889330 /nfs/dbraw/zinc/88/93/30/531889330.db2.gz UJDOKSURXHRXJV-CYBMUJFWSA-N 2 2 396.289 1.121 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(I)cc1 ZINC000597990217 531963167 /nfs/dbraw/zinc/96/31/67/531963167.db2.gz RSQLROLXONRBHI-UHFFFAOYSA-N 2 2 389.281 1.905 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(I)cc1 ZINC000597990217 531963174 /nfs/dbraw/zinc/96/31/74/531963174.db2.gz RSQLROLXONRBHI-UHFFFAOYSA-N 2 2 389.281 1.905 20 0 GDADLP COc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000657071722 531997599 /nfs/dbraw/zinc/99/75/99/531997599.db2.gz SWSBKXZIHQKFCH-ZDUSSCGKSA-N 2 2 377.938 1.899 20 0 GDADLP COc1ccc(Cl)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000657071722 531997604 /nfs/dbraw/zinc/99/76/04/531997604.db2.gz SWSBKXZIHQKFCH-ZDUSSCGKSA-N 2 2 377.938 1.899 20 0 GDADLP CC[NH+]1CCN(CC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000467978691 532063321 /nfs/dbraw/zinc/06/33/21/532063321.db2.gz SMXKHZGCXUTZNN-UHFFFAOYSA-N 2 2 380.290 1.351 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)C[NH+]3CCOCC3)[nH+]c12 ZINC000274146755 532188968 /nfs/dbraw/zinc/18/89/68/532188968.db2.gz FHGHTFHWLNMTND-ZDUSSCGKSA-N 2 2 395.301 1.990 20 0 GDADLP C[NH2+][C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333280980 532227902 /nfs/dbraw/zinc/22/79/02/532227902.db2.gz HOZBQKIBRICARB-LLVKDONJSA-N 2 2 384.278 1.506 20 0 GDADLP [NH3+]C[C@H]1CCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333351497 532230873 /nfs/dbraw/zinc/23/08/73/532230873.db2.gz RNCDCPLBTDTAAN-LLVKDONJSA-N 2 2 384.278 1.636 20 0 GDADLP CN(CCC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1)CC[NH+](C)C ZINC000289461370 532324949 /nfs/dbraw/zinc/32/49/49/532324949.db2.gz QCENTWYPWWUCTD-MRXNPFEDSA-N 2 2 385.350 1.791 20 0 GDADLP CN(CCC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1)CC[NH+](C)C ZINC000289461370 532324950 /nfs/dbraw/zinc/32/49/50/532324950.db2.gz QCENTWYPWWUCTD-MRXNPFEDSA-N 2 2 385.350 1.791 20 0 GDADLP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000737877662 598355280 /nfs/dbraw/zinc/35/52/80/598355280.db2.gz LJDZOVFOJVWESP-UHFFFAOYSA-N 2 2 399.499 1.240 20 0 GDADLP c1cn(Cc2cccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2)c[nH+]1 ZINC000738411301 598521971 /nfs/dbraw/zinc/52/19/71/598521971.db2.gz UICIYJRNOVFGPB-INIZCTEOSA-N 2 2 390.455 1.140 20 0 GDADLP C[NH+](C)C1CC[NH+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000825854895 607484062 /nfs/dbraw/zinc/48/40/62/607484062.db2.gz DQLFFURYQIBXRA-UHFFFAOYSA-N 2 2 389.529 1.772 20 0 GDADLP O[C@@]1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000823698492 607485017 /nfs/dbraw/zinc/48/50/17/607485017.db2.gz QLFQSDFCYMPHRT-HXUWFJFHSA-N 2 2 382.443 1.732 20 0 GDADLP O[C@@]1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000823698492 607485019 /nfs/dbraw/zinc/48/50/19/607485019.db2.gz QLFQSDFCYMPHRT-HXUWFJFHSA-N 2 2 382.443 1.732 20 0 GDADLP CC[C@@H](C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)[NH+](C)C ZINC000820841813 607017050 /nfs/dbraw/zinc/01/70/50/607017050.db2.gz FPOXJSGTOBRCDG-KRWDZBQOSA-N 2 2 394.483 1.404 20 0 GDADLP C[C@@H]1C[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985162 608170795 /nfs/dbraw/zinc/17/07/95/608170795.db2.gz SGNKTABYOOIHHY-AEFFLSMTSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985162 608170797 /nfs/dbraw/zinc/17/07/97/608170797.db2.gz SGNKTABYOOIHHY-AEFFLSMTSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000824952787 608452382 /nfs/dbraw/zinc/45/23/82/608452382.db2.gz ATDJTYHAUICZGZ-YOEHRIQHSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000824952787 608452384 /nfs/dbraw/zinc/45/23/84/608452384.db2.gz ATDJTYHAUICZGZ-YOEHRIQHSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000824952780 608452647 /nfs/dbraw/zinc/45/26/47/608452647.db2.gz ATDJTYHAUICZGZ-PBHICJAKSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000824952780 608452649 /nfs/dbraw/zinc/45/26/49/608452649.db2.gz ATDJTYHAUICZGZ-PBHICJAKSA-N 2 2 380.456 1.263 20 0 GDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825840020 608506946 /nfs/dbraw/zinc/50/69/46/608506946.db2.gz MRLSXVPDIDXLRQ-RBUKOAKNSA-N 2 2 397.527 1.776 20 0 GDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825840020 608506947 /nfs/dbraw/zinc/50/69/47/608506947.db2.gz MRLSXVPDIDXLRQ-RBUKOAKNSA-N 2 2 397.527 1.776 20 0 GDADLP CCN1CCO[C@@H](C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825465094 609193562 /nfs/dbraw/zinc/19/35/62/609193562.db2.gz IBNRDBCVJXCREJ-IBGZPJMESA-N 2 2 385.516 1.141 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CCN2C1=O ZINC000566489771 650852442 /nfs/dbraw/zinc/85/24/42/650852442.db2.gz ZDGBVTKWALJCCZ-BXKDBHETSA-N 2 2 379.233 1.885 20 0 GDADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379059 645942202 /nfs/dbraw/zinc/94/22/02/645942202.db2.gz AKZJRWOPQXOUTB-CZUORRHYSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000420379059 645942203 /nfs/dbraw/zinc/94/22/03/645942203.db2.gz AKZJRWOPQXOUTB-CZUORRHYSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463340858 647557099 /nfs/dbraw/zinc/55/70/99/647557099.db2.gz RJJSBAPZHOMLQB-IRXDYDNUSA-N 2 2 375.579 1.385 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000602205024 652624179 /nfs/dbraw/zinc/62/41/79/652624179.db2.gz OBNGJSINDVOKEC-GFCCVEGCSA-N 2 2 396.333 1.948 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000602205024 652624182 /nfs/dbraw/zinc/62/41/82/652624182.db2.gz OBNGJSINDVOKEC-GFCCVEGCSA-N 2 2 396.333 1.948 20 0 GDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000631795953 653255103 /nfs/dbraw/zinc/25/51/03/653255103.db2.gz PWNUAUQHDOSDAI-OAHLLOKOSA-N 2 2 386.587 1.050 20 0 GDADLP C[NH+]1CCN(C(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)CC1 ZINC000836749552 655153045 /nfs/dbraw/zinc/15/30/45/655153045.db2.gz XKHNPRBRDFNFQH-UHFFFAOYSA-N 2 2 397.321 1.375 20 0 GDADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078212 655384726 /nfs/dbraw/zinc/38/47/26/655384726.db2.gz UQMGJGMKOWBQQB-QZTJIDSGSA-N 2 2 398.345 1.479 20 0 GDADLP Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058058 655387675 /nfs/dbraw/zinc/38/76/75/655387675.db2.gz OEWYUEWLCIPVPO-JSGCOSHPSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1nc(Br)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058058 655387676 /nfs/dbraw/zinc/38/76/76/655387676.db2.gz OEWYUEWLCIPVPO-JSGCOSHPSA-N 2 2 384.322 1.263 20 0 GDADLP CN([C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010196 655986750 /nfs/dbraw/zinc/98/67/50/655986750.db2.gz MKSGCZQHFVJHEK-CVEARBPZSA-N 2 2 394.607 1.228 20 0 GDADLP CN([C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010196 655986751 /nfs/dbraw/zinc/98/67/51/655986751.db2.gz MKSGCZQHFVJHEK-CVEARBPZSA-N 2 2 394.607 1.228 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000868290892 656149309 /nfs/dbraw/zinc/14/93/09/656149309.db2.gz VLNRFERKXDQXFU-HNNXBMFYSA-N 2 2 396.333 1.812 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000868290892 656149312 /nfs/dbraw/zinc/14/93/12/656149312.db2.gz VLNRFERKXDQXFU-HNNXBMFYSA-N 2 2 396.333 1.812 20 0 GDADLP COC(=O)c1cc(Br)c(C[N@H+](C)CCOCC[NH3+])cc1OC ZINC000923404261 656550097 /nfs/dbraw/zinc/55/00/97/656550097.db2.gz XBLSOAQMPKGBCC-UHFFFAOYSA-N 2 2 375.263 1.651 20 0 GDADLP COC(=O)c1cc(Br)c(C[N@@H+](C)CCOCC[NH3+])cc1OC ZINC000923404261 656550098 /nfs/dbraw/zinc/55/00/98/656550098.db2.gz XBLSOAQMPKGBCC-UHFFFAOYSA-N 2 2 375.263 1.651 20 0 GDADLP Cn1cc(C[NH2+]CCCCN2CC[NH+](C)CC2)c(I)n1 ZINC000894172630 658516134 /nfs/dbraw/zinc/51/61/34/658516134.db2.gz CUDCJHGEHJGIGD-UHFFFAOYSA-N 2 2 391.301 1.142 20 0 GDADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755420 659378975 /nfs/dbraw/zinc/37/89/75/659378975.db2.gz GYMYADAQTNIQOI-ZOBUZTSGSA-N 2 2 382.302 1.676 20 0 GDADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000903755420 659378980 /nfs/dbraw/zinc/37/89/80/659378980.db2.gz GYMYADAQTNIQOI-ZOBUZTSGSA-N 2 2 382.302 1.676 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@@H]4[C@@H](N4CCCC4=O)C3)[nH+]2)CC1 ZINC001164655198 719304125 /nfs/dbraw/zinc/30/41/25/719304125.db2.gz SIYPXIPBTRNSBS-SPEDKVCISA-N 2 2 399.539 1.440 20 0 GDADLP COc1ccc(C)[nH+]c1N1CCc2c(nnn2C)[C@H]1COCC[NH+]1CCCC1 ZINC001164718328 720180849 /nfs/dbraw/zinc/18/08/49/720180849.db2.gz ONZLGEOJXSSVAN-QGZVFWFLSA-N 2 2 386.500 1.743 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cc(OC)ccc43)C2)C1 ZINC001164720142 720227539 /nfs/dbraw/zinc/22/75/39/720227539.db2.gz WJUDROQCEORFKH-JOCHJYFZSA-N 2 2 398.507 1.908 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3[nH+]ccc4cc(OC)ccc43)C2)C1 ZINC001164720142 720227551 /nfs/dbraw/zinc/22/75/51/720227551.db2.gz WJUDROQCEORFKH-JOCHJYFZSA-N 2 2 398.507 1.908 20 0 GDADLP Cc1cc(C)[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164822044 720430001 /nfs/dbraw/zinc/43/00/01/720430001.db2.gz ASXNQDUOXGMBTQ-GOSISDBHSA-N 2 2 385.512 1.885 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)[nH+]2)CC1 ZINC001164730420 720573060 /nfs/dbraw/zinc/57/30/60/720573060.db2.gz VKJAHCBVEUCLBK-UHFFFAOYSA-N 3 2 395.555 1.688 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)CC1 ZINC001164730420 720573071 /nfs/dbraw/zinc/57/30/71/720573071.db2.gz VKJAHCBVEUCLBK-UHFFFAOYSA-N 2 2 395.555 1.688 20 0 GDADLP Cc1c[nH+]c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1NC(C)C ZINC001164795849 721508158 /nfs/dbraw/zinc/50/81/58/721508158.db2.gz NWQULFOALPEFAR-UHFFFAOYSA-N 2 2 384.532 1.569 20 0 GDADLP CC(C)n1ccc2c1nc[nH+]c2N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164798516 721517220 /nfs/dbraw/zinc/51/72/20/721517220.db2.gz VERFUILFHABHSQ-UHFFFAOYSA-N 2 2 394.527 1.976 20 0 GDADLP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@H]2C1 ZINC001164995213 722215531 /nfs/dbraw/zinc/21/55/31/722215531.db2.gz HEPQWTRYEQYVOB-OKZBNKHCSA-N 2 2 387.528 1.342 20 0 GDADLP O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2c[nH+]cn2C1 ZINC001571317766 946621428 /nfs/dbraw/zinc/62/14/28/946621428.db2.gz UWBMNGAJLMKMDV-ULQDDVLXSA-N 2 2 392.467 1.063 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033353 947409782 /nfs/dbraw/zinc/40/97/82/947409782.db2.gz ATRSNGOFCHCIDU-NZSAHSFTSA-N 2 2 395.511 1.778 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033353 947409794 /nfs/dbraw/zinc/40/97/94/947409794.db2.gz ATRSNGOFCHCIDU-NZSAHSFTSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033353 947409799 /nfs/dbraw/zinc/40/97/99/947409799.db2.gz ATRSNGOFCHCIDU-NZSAHSFTSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033353 947409808 /nfs/dbraw/zinc/40/98/08/947409808.db2.gz ATRSNGOFCHCIDU-NZSAHSFTSA-N 2 2 395.511 1.778 20 0 GDADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574717094 949724866 /nfs/dbraw/zinc/72/48/66/949724866.db2.gz UGJMTNWTTSTTAP-QWHCGFSZSA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575282424 949831947 /nfs/dbraw/zinc/83/19/47/949831947.db2.gz BLEZAPIFFAGEBP-GJZGRUSLSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492054 950054945 /nfs/dbraw/zinc/05/49/45/950054945.db2.gz IRGCRHAOERKZRB-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492054 950054963 /nfs/dbraw/zinc/05/49/63/950054963.db2.gz IRGCRHAOERKZRB-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205001 950487164 /nfs/dbraw/zinc/48/71/64/950487164.db2.gz FOCASKUGNJYUIJ-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205001 950487175 /nfs/dbraw/zinc/48/71/75/950487175.db2.gz FOCASKUGNJYUIJ-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205001 950487192 /nfs/dbraw/zinc/48/71/92/950487192.db2.gz FOCASKUGNJYUIJ-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205001 950487213 /nfs/dbraw/zinc/48/72/13/950487213.db2.gz FOCASKUGNJYUIJ-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205070 950490122 /nfs/dbraw/zinc/49/01/22/950490122.db2.gz GNDKVAJRQSGWJV-SFHVURJKSA-N 2 2 383.500 1.289 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205070 950490134 /nfs/dbraw/zinc/49/01/34/950490134.db2.gz GNDKVAJRQSGWJV-SFHVURJKSA-N 2 2 383.500 1.289 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574520962 950763400 /nfs/dbraw/zinc/76/34/00/950763400.db2.gz BRFYSXCUWMFEOW-HUUCEWRRSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001574524468 950861177 /nfs/dbraw/zinc/86/11/77/950861177.db2.gz WVAMWPHOQJTJNL-CHWSQXEVSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575094374 951803696 /nfs/dbraw/zinc/80/36/96/951803696.db2.gz NFJJTMISVAPRHV-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001575109751 951933853 /nfs/dbraw/zinc/93/38/53/951933853.db2.gz UWEHQLZXSDEFCJ-CABCVRRESA-N 2 2 382.472 1.651 20 0 GDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121013 952513354 /nfs/dbraw/zinc/51/33/54/952513354.db2.gz VBZKHSQTEBTHOA-GXTWGEPZSA-N 2 2 375.502 1.055 20 0 GDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121013 952513360 /nfs/dbraw/zinc/51/33/60/952513360.db2.gz VBZKHSQTEBTHOA-GXTWGEPZSA-N 2 2 375.502 1.055 20 0 GDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121013 952513366 /nfs/dbraw/zinc/51/33/66/952513366.db2.gz VBZKHSQTEBTHOA-GXTWGEPZSA-N 2 2 375.502 1.055 20 0 GDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121013 952513374 /nfs/dbraw/zinc/51/33/74/952513374.db2.gz VBZKHSQTEBTHOA-GXTWGEPZSA-N 2 2 375.502 1.055 20 0 GDADLP CC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN(C(=O)Cn2cc[nH+]c2)CC1 ZINC001571166659 952764178 /nfs/dbraw/zinc/76/41/78/952764178.db2.gz NZIKIKVTLKGKCC-UHFFFAOYSA-N 2 2 380.456 1.234 20 0 GDADLP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571252920 953333773 /nfs/dbraw/zinc/33/37/73/953333773.db2.gz ZAABCDQAXWAHCZ-XIRDDKMYSA-N 2 2 384.488 1.172 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130513538 531061588 /nfs/dbraw/zinc/06/15/88/531061588.db2.gz QGNKYJJKVLEFFK-MBNYWOFBSA-N 2 2 386.484 1.166 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130513538 531061592 /nfs/dbraw/zinc/06/15/92/531061592.db2.gz QGNKYJJKVLEFFK-MBNYWOFBSA-N 2 2 386.484 1.166 20 0 GDADLP Cc1nn(C)c(C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1Br ZINC000447934214 531442690 /nfs/dbraw/zinc/44/26/90/531442690.db2.gz WXPDGEXOFDOITD-UHFFFAOYSA-N 2 2 386.338 1.523 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489944691 531513777 /nfs/dbraw/zinc/51/37/77/531513777.db2.gz ZWPZQWBAZRWZFG-CZUORRHYSA-N 2 2 381.318 1.756 20 0 GDADLP [NH3+]C1(CNC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CCC1 ZINC000557018895 531507019 /nfs/dbraw/zinc/50/70/19/531507019.db2.gz HFBGUJKQUKVNHQ-UHFFFAOYSA-N 2 2 384.278 1.684 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@H]1C[NH2+]CCCO1 ZINC000417210764 531758952 /nfs/dbraw/zinc/75/89/52/531758952.db2.gz DLGOXYCTWUKEKJ-CYBMUJFWSA-N 2 2 382.262 1.275 20 0 GDADLP C[C@](C[NH3+])(NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000562764407 531778606 /nfs/dbraw/zinc/77/86/06/531778606.db2.gz MMJXJSVSVKFMEA-MRXNPFEDSA-N 2 2 398.305 1.930 20 0 GDADLP C[NH+](C)C[C@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000282796167 531798072 /nfs/dbraw/zinc/79/80/72/531798072.db2.gz YXXYKCXMOQRIGZ-KRWDZBQOSA-N 2 2 389.949 1.584 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000572856589 531970799 /nfs/dbraw/zinc/97/07/99/531970799.db2.gz DTZTZGULHQSWKL-AWEZNQCLSA-N 2 2 375.300 1.794 20 0 GDADLP C[N@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@@H](C[NH3+])C1 ZINC000572856589 531970804 /nfs/dbraw/zinc/97/08/04/531970804.db2.gz DTZTZGULHQSWKL-AWEZNQCLSA-N 2 2 375.300 1.794 20 0 GDADLP COC(=O)CCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2cccs2)CC1 ZINC000271857907 532058933 /nfs/dbraw/zinc/05/89/33/532058933.db2.gz XVYLWVQQIYMYHS-UHFFFAOYSA-N 2 2 389.543 1.034 20 0 GDADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910075 532069418 /nfs/dbraw/zinc/06/94/18/532069418.db2.gz PPYSQQLHCRDVJG-KYOSRNDESA-N 2 2 390.265 1.761 20 0 GDADLP CC[NH+](CC)CC(=O)N1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000469605874 532076065 /nfs/dbraw/zinc/07/60/65/532076065.db2.gz YJCJKHRSSCKUPI-UHFFFAOYSA-N 2 2 375.382 1.687 20 0 GDADLP Cc1nn(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1Br ZINC000375740737 532181957 /nfs/dbraw/zinc/18/19/57/532181957.db2.gz GITRQZKVBWTOCJ-AGUYFDCRSA-N 2 2 398.349 1.664 20 0 GDADLP Cc1nn(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3CC(=O)N(C)C)c1Br ZINC000375740737 532181961 /nfs/dbraw/zinc/18/19/61/532181961.db2.gz GITRQZKVBWTOCJ-AGUYFDCRSA-N 2 2 398.349 1.664 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)NC1CC[NH2+]CC1 ZINC000333343326 532230249 /nfs/dbraw/zinc/23/02/49/532230249.db2.gz QCPDXBATDWKJHG-UHFFFAOYSA-N 2 2 384.278 1.554 20 0 GDADLP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333383244 532231777 /nfs/dbraw/zinc/23/17/77/532231777.db2.gz WLHAFEPFKZLUCR-YPMHNXCESA-N 2 2 398.305 1.943 20 0 GDADLP C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC(C)(C)C[NH3+] ZINC000430561655 532251865 /nfs/dbraw/zinc/25/18/65/532251865.db2.gz NKXAWTKCZJULET-UHFFFAOYSA-N 2 2 385.306 1.421 20 0 GDADLP C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)CC(C)(C)C[NH3+] ZINC000430561655 532251866 /nfs/dbraw/zinc/25/18/66/532251866.db2.gz NKXAWTKCZJULET-UHFFFAOYSA-N 2 2 385.306 1.421 20 0 GDADLP O=C1[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292191 598342190 /nfs/dbraw/zinc/34/21/90/598342190.db2.gz YEEAJBQSPIHHEM-DLBZAZTESA-N 2 2 378.440 1.506 20 0 GDADLP O=C1[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292191 598342195 /nfs/dbraw/zinc/34/21/95/598342195.db2.gz YEEAJBQSPIHHEM-DLBZAZTESA-N 2 2 378.440 1.506 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000823798810 599475329 /nfs/dbraw/zinc/47/53/29/599475329.db2.gz YVRHOMVUVBEMEW-HNNXBMFYSA-N 2 2 379.468 1.892 20 0 GDADLP CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821622196 606466635 /nfs/dbraw/zinc/46/66/35/606466635.db2.gz VUOHAQPGAVYOSI-CYBMUJFWSA-N 2 2 376.896 1.520 20 0 GDADLP CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821622196 606466636 /nfs/dbraw/zinc/46/66/36/606466636.db2.gz VUOHAQPGAVYOSI-CYBMUJFWSA-N 2 2 376.896 1.520 20 0 GDADLP C[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820437720 606796046 /nfs/dbraw/zinc/79/60/46/606796046.db2.gz BMEMPSGDDIPWFT-CQSZACIVSA-N 2 2 379.472 1.259 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000826334661 607889648 /nfs/dbraw/zinc/88/96/48/607889648.db2.gz DJPHADMTHIRMHS-MRXNPFEDSA-N 2 2 390.455 1.614 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000826334661 607889649 /nfs/dbraw/zinc/88/96/49/607889649.db2.gz DJPHADMTHIRMHS-MRXNPFEDSA-N 2 2 390.455 1.614 20 0 GDADLP Cc1[nH+]ccn1CCCC[N@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826330633 608452109 /nfs/dbraw/zinc/45/21/09/608452109.db2.gz BJTZBBOKYGAOOA-CQSZACIVSA-N 2 2 382.476 1.153 20 0 GDADLP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(c2nccnc2-c2nn[nH]n2)C[C@H]1C ZINC000826330633 608452111 /nfs/dbraw/zinc/45/21/11/608452111.db2.gz BJTZBBOKYGAOOA-CQSZACIVSA-N 2 2 382.476 1.153 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826330644 608453720 /nfs/dbraw/zinc/45/37/20/608453720.db2.gz CAPZWSCGRRNGJC-UHFFFAOYSA-N 2 2 388.863 1.986 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(Cl)ccc1-c1nn[nH]n1 ZINC000826330644 608453722 /nfs/dbraw/zinc/45/37/22/608453722.db2.gz CAPZWSCGRRNGJC-UHFFFAOYSA-N 2 2 388.863 1.986 20 0 GDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909402 608653527 /nfs/dbraw/zinc/65/35/27/608653527.db2.gz TUWSWUDZGGHGSW-GJZGRUSLSA-N 2 2 375.546 1.919 20 0 GDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586037 609141403 /nfs/dbraw/zinc/14/14/03/609141403.db2.gz WMBBVKSWFRIQEG-GXTWGEPZSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586037 609141404 /nfs/dbraw/zinc/14/14/04/609141404.db2.gz WMBBVKSWFRIQEG-GXTWGEPZSA-N 2 2 375.452 1.244 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3cccc(Br)c3)CCOCC2)CC1 ZINC000540066316 650348990 /nfs/dbraw/zinc/34/89/90/650348990.db2.gz OJEIOTIEIHYLAS-UHFFFAOYSA-N 2 2 396.329 1.818 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420386030 645942563 /nfs/dbraw/zinc/94/25/63/645942563.db2.gz UJCYJQHAOGSHCE-CHWSQXEVSA-N 2 2 397.317 1.421 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420386030 645942565 /nfs/dbraw/zinc/94/25/65/645942565.db2.gz UJCYJQHAOGSHCE-CHWSQXEVSA-N 2 2 397.317 1.421 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577228494 651717433 /nfs/dbraw/zinc/71/74/33/651717433.db2.gz VJBHQGOMMRZYPU-CMPLNLGQSA-N 2 2 399.314 1.959 20 0 GDADLP C[N@@H+]1CCC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595944066 652428426 /nfs/dbraw/zinc/42/84/26/652428426.db2.gz UNYHLXFNXLWROB-QMMMGPOBSA-N 2 2 391.278 1.780 20 0 GDADLP C[N@H+]1CCC[C@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595944066 652428431 /nfs/dbraw/zinc/42/84/31/652428431.db2.gz UNYHLXFNXLWROB-QMMMGPOBSA-N 2 2 391.278 1.780 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCn3cc(Br)cn3)C2)CC1 ZINC000602198594 652624150 /nfs/dbraw/zinc/62/41/50/652624150.db2.gz FJAHIEQGDNLFIC-AWEZNQCLSA-N 2 2 384.322 1.320 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCn3cc(Br)cn3)C2)CC1 ZINC000602198594 652624153 /nfs/dbraw/zinc/62/41/53/652624153.db2.gz FJAHIEQGDNLFIC-AWEZNQCLSA-N 2 2 384.322 1.320 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000621866253 652999633 /nfs/dbraw/zinc/99/96/33/652999633.db2.gz OQUIFBRHTOQROF-LBPRGKRZSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000621866253 652999634 /nfs/dbraw/zinc/99/96/34/652999634.db2.gz OQUIFBRHTOQROF-LBPRGKRZSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccnc3c(Br)cccc23)CC1 ZINC000648437294 653649417 /nfs/dbraw/zinc/64/94/17/653649417.db2.gz PESBGEZYVBUCDL-UHFFFAOYSA-N 2 2 377.286 1.861 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000662475271 654295257 /nfs/dbraw/zinc/29/52/57/654295257.db2.gz CGHHIXKCQITOSG-CZUORRHYSA-N 2 2 382.302 1.630 20 0 GDADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000819077865 655384762 /nfs/dbraw/zinc/38/47/62/655384762.db2.gz PMJNGOCRGGIVPX-YJBOKZPZSA-N 2 2 398.345 1.479 20 0 GDADLP C[C@@H]([NH3+])C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000863566836 655875674 /nfs/dbraw/zinc/87/56/74/655875674.db2.gz RHBCHFSSZKJNPE-LLVKDONJSA-N 2 2 376.910 1.198 20 0 GDADLP C[C@@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000863566836 655875677 /nfs/dbraw/zinc/87/56/77/655875677.db2.gz RHBCHFSSZKJNPE-LLVKDONJSA-N 2 2 376.910 1.198 20 0 GDADLP CS(=O)(=O)N(CC[N@@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151391 656318847 /nfs/dbraw/zinc/31/88/47/656318847.db2.gz KLWBBUHHMPBYGP-LSDHHAIUSA-N 2 2 379.448 1.517 20 0 GDADLP CS(=O)(=O)N(CC[N@H+]1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151391 656318851 /nfs/dbraw/zinc/31/88/51/656318851.db2.gz KLWBBUHHMPBYGP-LSDHHAIUSA-N 2 2 379.448 1.517 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@@H]1C ZINC000876904082 656638546 /nfs/dbraw/zinc/63/85/46/656638546.db2.gz SRQRVQUKMPCUFC-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@@H]1C ZINC000876904082 656638549 /nfs/dbraw/zinc/63/85/49/656638549.db2.gz SRQRVQUKMPCUFC-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000884183619 657333879 /nfs/dbraw/zinc/33/38/79/657333879.db2.gz RXDMRPNDLMUJSR-CVEARBPZSA-N 2 2 384.318 1.922 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000894167470 658515400 /nfs/dbraw/zinc/51/54/00/658515400.db2.gz PNTGJBHNRDUCIF-UHFFFAOYSA-N 2 2 380.294 1.014 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675496 659134714 /nfs/dbraw/zinc/13/47/14/659134714.db2.gz SAAKLXINWQFVFT-RDJZCZTQSA-N 2 2 396.329 1.767 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675496 659134720 /nfs/dbraw/zinc/13/47/20/659134720.db2.gz SAAKLXINWQFVFT-RDJZCZTQSA-N 2 2 396.329 1.767 20 0 GDADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c3C2)cc1 ZINC001164404850 718861719 /nfs/dbraw/zinc/86/17/19/718861719.db2.gz QOZLUPATUJQYHQ-RXVVDRJESA-N 2 2 379.508 1.850 20 0 GDADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@H]5C[NH2+]CC[C@H]5C4)c3C2)cc1 ZINC001164404850 718861721 /nfs/dbraw/zinc/86/17/21/718861721.db2.gz QOZLUPATUJQYHQ-RXVVDRJESA-N 2 2 379.508 1.850 20 0 GDADLP O=C(c1cccnc1N1CC[C@@H]2[NH2+]CC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164410959 718875106 /nfs/dbraw/zinc/87/51/06/718875106.db2.gz KHZVURHOOCFSSY-LEWJYISDSA-N 2 2 391.519 1.980 20 0 GDADLP COCc1nn(-c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)c2c1C[NH2+]C2 ZINC001164709109 720078908 /nfs/dbraw/zinc/07/89/08/720078908.db2.gz BHWIQFXSLWBGPF-UHFFFAOYSA-N 2 2 376.464 1.970 20 0 GDADLP COCc1nn(-c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)c2c1C[NH2+]C2 ZINC001164709109 720078916 /nfs/dbraw/zinc/07/89/16/720078916.db2.gz BHWIQFXSLWBGPF-UHFFFAOYSA-N 2 2 376.464 1.970 20 0 GDADLP C[NH+]1CCN(c2ccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)nn2)CC1 ZINC001164786786 721393070 /nfs/dbraw/zinc/39/30/70/721393070.db2.gz PDGMKKYOFHFNRA-HZPDHXFCSA-N 2 2 385.541 1.253 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001165008079 721709416 /nfs/dbraw/zinc/70/94/16/721709416.db2.gz AQRHSKILBIPBRT-UHFFFAOYSA-N 2 2 384.532 1.786 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nccc(C3CC[NH2+]CC3)n1)C2 ZINC001165008079 721709418 /nfs/dbraw/zinc/70/94/18/721709418.db2.gz AQRHSKILBIPBRT-UHFFFAOYSA-N 2 2 384.532 1.786 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC001165009966 721744031 /nfs/dbraw/zinc/74/40/31/721744031.db2.gz KHFTVHPEFYNWHC-UHFFFAOYSA-N 2 2 386.544 1.990 20 0 GDADLP CCc1cc(N2CC[NH+](CCc3ccccn3)CC2)nc(N2CCOCC2)[nH+]1 ZINC001165055115 722014776 /nfs/dbraw/zinc/01/47/76/722014776.db2.gz DNMIOVPCHMYVGV-UHFFFAOYSA-N 2 2 382.512 1.635 20 0 GDADLP CC(=O)N1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823973548 946529931 /nfs/dbraw/zinc/52/99/31/946529931.db2.gz KLZJKMNUDDQEJI-UHFFFAOYSA-N 2 2 383.500 1.432 20 0 GDADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571317247 946603279 /nfs/dbraw/zinc/60/32/79/946603279.db2.gz YVHPFUDKHXTWNX-SJORKVTESA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571317247 946603290 /nfs/dbraw/zinc/60/32/90/946603290.db2.gz YVHPFUDKHXTWNX-SJORKVTESA-N 2 2 392.467 1.016 20 0 GDADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CN1CCOCC1 ZINC000824429467 946706706 /nfs/dbraw/zinc/70/67/06/946706706.db2.gz XNZDBFOZBZVTTM-KRWDZBQOSA-N 2 2 399.543 1.389 20 0 GDADLP C[NH+](C)CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000825860006 947351140 /nfs/dbraw/zinc/35/11/40/947351140.db2.gz JZPMWUWENWGCIF-MRXNPFEDSA-N 2 2 394.545 1.596 20 0 GDADLP Cn1cc(C[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361447 948132196 /nfs/dbraw/zinc/13/21/96/948132196.db2.gz XNABZFWLXACUAI-SFHVURJKSA-N 2 2 396.499 1.204 20 0 GDADLP C[C@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCCCC1 ZINC001573714690 948474327 /nfs/dbraw/zinc/47/43/27/948474327.db2.gz IRKVHMLFDHKYHT-CQSZACIVSA-N 2 2 391.545 1.741 20 0 GDADLP C[C@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCCCC1 ZINC001573714690 948474334 /nfs/dbraw/zinc/47/43/34/948474334.db2.gz IRKVHMLFDHKYHT-CQSZACIVSA-N 2 2 391.545 1.741 20 0 GDADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959818 949719849 /nfs/dbraw/zinc/71/98/49/949719849.db2.gz UONNHDWXNXPKKZ-KBRIMQKVSA-N 2 2 394.483 1.340 20 0 GDADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959818 949719874 /nfs/dbraw/zinc/71/98/74/949719874.db2.gz UONNHDWXNXPKKZ-KBRIMQKVSA-N 2 2 394.483 1.340 20 0 GDADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717091 949723511 /nfs/dbraw/zinc/72/35/11/949723511.db2.gz UGJMTNWTTSTTAP-CHWSQXEVSA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574484244 949870074 /nfs/dbraw/zinc/87/00/74/949870074.db2.gz WLJUKEKWDXYMCV-ZBFHGGJFSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575899948 950187605 /nfs/dbraw/zinc/18/76/05/950187605.db2.gz BAGAXGDDYLVFPV-ZBEGNZNMSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574503393 950411515 /nfs/dbraw/zinc/41/15/15/950411515.db2.gz VHPJVJOODBULRX-AWEZNQCLSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576202876 950440735 /nfs/dbraw/zinc/44/07/35/950440735.db2.gz DNTTUZBGSWQQGL-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576202876 950440752 /nfs/dbraw/zinc/44/07/52/950440752.db2.gz DNTTUZBGSWQQGL-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576202876 950440770 /nfs/dbraw/zinc/44/07/70/950440770.db2.gz DNTTUZBGSWQQGL-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576202876 950440786 /nfs/dbraw/zinc/44/07/86/950440786.db2.gz DNTTUZBGSWQQGL-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001575098168 951821787 /nfs/dbraw/zinc/82/17/87/951821787.db2.gz BSFHSKRNFFBLRD-STQMWFEESA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202593 952514605 /nfs/dbraw/zinc/51/46/05/952514605.db2.gz WEIXIVWGFWYEHO-BPLDGKMQSA-N 2 2 380.456 1.205 20 0 GDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166719 952763938 /nfs/dbraw/zinc/76/39/38/952763938.db2.gz OZACGJOWYHOWRG-CJNGLKHVSA-N 2 2 380.456 1.159 20 0 GDADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167072 952768890 /nfs/dbraw/zinc/76/88/90/952768890.db2.gz UYOJEZLSXRZGGC-WMLDXEAASA-N 2 2 380.456 1.090 20 0 GDADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167070 952769055 /nfs/dbraw/zinc/76/90/55/952769055.db2.gz UYOJEZLSXRZGGC-PBHICJAKSA-N 2 2 380.456 1.090 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171572 952795270 /nfs/dbraw/zinc/79/52/70/952795270.db2.gz CLHLHIORJFDCSQ-UHFFFAOYSA-N 2 2 380.456 1.161 20 0 GDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571171979 952800603 /nfs/dbraw/zinc/80/06/03/952800603.db2.gz KCHROCGRUYIFNL-KRWDZBQOSA-N 2 2 380.456 1.234 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174722625 530652996 /nfs/dbraw/zinc/65/29/96/530652996.db2.gz KZVPVLDYVVPSCE-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H](C(N)=O)c1ccc(Br)cc1 ZINC000174722625 530652997 /nfs/dbraw/zinc/65/29/97/530652997.db2.gz KZVPVLDYVVPSCE-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193910487 530995838 /nfs/dbraw/zinc/99/58/38/530995838.db2.gz ALJOHHLHCNGXBW-UHFFFAOYSA-N 2 2 379.448 1.750 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)c(F)c1F ZINC000193910487 530995840 /nfs/dbraw/zinc/99/58/40/530995840.db2.gz ALJOHHLHCNGXBW-UHFFFAOYSA-N 2 2 379.448 1.750 20 0 GDADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000127164826 531026630 /nfs/dbraw/zinc/02/66/30/531026630.db2.gz BNRWAJPPRVCJMY-OAHLLOKOSA-N 2 2 380.539 1.946 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000484279920 531417971 /nfs/dbraw/zinc/41/79/71/531417971.db2.gz MGUICMJRALMQID-CQSZACIVSA-N 2 2 378.274 1.103 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@H]1C[N@H+]2CCN1CCC2 ZINC000484279920 531417973 /nfs/dbraw/zinc/41/79/73/531417973.db2.gz MGUICMJRALMQID-CQSZACIVSA-N 2 2 378.274 1.103 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057439 531430580 /nfs/dbraw/zinc/43/05/80/531430580.db2.gz FUNPQNQYPKGUBD-GOEBONIOSA-N 2 2 386.334 1.946 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057439 531430583 /nfs/dbraw/zinc/43/05/83/531430583.db2.gz FUNPQNQYPKGUBD-GOEBONIOSA-N 2 2 386.334 1.946 20 0 GDADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cc1 ZINC000486454694 531451852 /nfs/dbraw/zinc/45/18/52/531451852.db2.gz JSJSUGCMBUGUHB-HNNXBMFYSA-N 2 2 395.301 1.284 20 0 GDADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cc1 ZINC000486454694 531451856 /nfs/dbraw/zinc/45/18/56/531451856.db2.gz JSJSUGCMBUGUHB-HNNXBMFYSA-N 2 2 395.301 1.284 20 0 GDADLP CN1CC[NH2+]C[C@H]1CNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414975729 531464153 /nfs/dbraw/zinc/46/41/53/531464153.db2.gz MMSYBXGCYLJBAD-KRWDZBQOSA-N 2 2 381.362 1.907 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000545302674 531490286 /nfs/dbraw/zinc/49/02/86/531490286.db2.gz GFMNMSRLGISZIW-GXTWGEPZSA-N 2 2 395.305 1.548 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426274 531508760 /nfs/dbraw/zinc/50/87/60/531508760.db2.gz GKAVZFYKIFMLEA-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426274 531508764 /nfs/dbraw/zinc/50/87/64/531508764.db2.gz GKAVZFYKIFMLEA-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658426714 531508911 /nfs/dbraw/zinc/50/89/11/531508911.db2.gz IBCSYVGDADRYTO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1ccc(Br)cc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658426714 531508913 /nfs/dbraw/zinc/50/89/13/531508913.db2.gz IBCSYVGDADRYTO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)ccc1Br ZINC000658428671 531510055 /nfs/dbraw/zinc/51/00/55/531510055.db2.gz XOJRCCCGYGEXRO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)ccc1Br ZINC000658428671 531510061 /nfs/dbraw/zinc/51/00/61/531510061.db2.gz XOJRCCCGYGEXRO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000658428635 531510476 /nfs/dbraw/zinc/51/04/76/531510476.db2.gz WOCVTDYCVQNHJS-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(Br)c1 ZINC000658428635 531510485 /nfs/dbraw/zinc/51/04/85/531510485.db2.gz WOCVTDYCVQNHJS-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)[nH+]c12 ZINC000659483385 531548735 /nfs/dbraw/zinc/54/87/35/531548735.db2.gz ZYSUGCOETSAVKN-CHWSQXEVSA-N 2 2 384.253 1.986 20 0 GDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@@H]1CSCCS1 ZINC000269207447 531623461 /nfs/dbraw/zinc/62/34/61/531623461.db2.gz FCLMCPGISHXEIH-SJORKVTESA-N 2 2 376.551 1.766 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC000661730148 531657195 /nfs/dbraw/zinc/65/71/95/531657195.db2.gz IDJVJTTVGIFPRM-QGZVFWFLSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@@H]2c2cccc(Br)c2)CC1 ZINC000661730148 531657203 /nfs/dbraw/zinc/65/72/03/531657203.db2.gz IDJVJTTVGIFPRM-QGZVFWFLSA-N 2 2 396.329 1.987 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1Br ZINC000662664811 531691383 /nfs/dbraw/zinc/69/13/83/531691383.db2.gz HSURJDYVYIOHCG-BBRMVZONSA-N 2 2 382.302 1.772 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H](C)[C@H]([NH3+])C3)[nH+]c12 ZINC000418022135 531798762 /nfs/dbraw/zinc/79/87/62/531798762.db2.gz QVFODMSLQNGZGI-BXUZGUMPSA-N 2 2 380.290 1.936 20 0 GDADLP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000567605777 531900144 /nfs/dbraw/zinc/90/01/44/531900144.db2.gz DWMYEDYNBHBXBS-HOCLYGCPSA-N 2 2 387.318 1.747 20 0 GDADLP Cc1cc(S(=O)(=O)NCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)s1 ZINC000655734849 531975935 /nfs/dbraw/zinc/97/59/35/531975935.db2.gz NZVOZHMNRZBWTF-INIZCTEOSA-N 2 2 387.571 1.486 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2cscc2C(F)(F)F)CN1CC[NH+]1CCOCC1 ZINC000581221054 532077662 /nfs/dbraw/zinc/07/76/62/532077662.db2.gz VNRSHSJYFSHEMN-CYBMUJFWSA-N 2 2 377.432 1.790 20 0 GDADLP C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000603867438 532095471 /nfs/dbraw/zinc/09/54/71/532095471.db2.gz QXTXTUPSCSGQKU-WOPDTQHZSA-N 2 2 385.249 1.769 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333243211 532227384 /nfs/dbraw/zinc/22/73/84/532227384.db2.gz BISIHCNYNILITH-NEPJUHHUSA-N 2 2 398.305 1.943 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CCN(C(=O)C[NH+](C)C)CC3)c2c1 ZINC000737249448 599270571 /nfs/dbraw/zinc/27/05/71/599270571.db2.gz ZYKBYLSSMKFRNP-UHFFFAOYSA-N 2 2 394.483 1.242 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410418 607478247 /nfs/dbraw/zinc/47/82/47/607478247.db2.gz MPGKNDAGYUOGMJ-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410418 607478249 /nfs/dbraw/zinc/47/82/49/607478249.db2.gz MPGKNDAGYUOGMJ-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410418 607478251 /nfs/dbraw/zinc/47/82/51/607478251.db2.gz MPGKNDAGYUOGMJ-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410418 607478253 /nfs/dbraw/zinc/47/82/53/607478253.db2.gz MPGKNDAGYUOGMJ-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183569 604459932 /nfs/dbraw/zinc/45/99/32/604459932.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183569 604459936 /nfs/dbraw/zinc/45/99/36/604459936.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@@H+]1C ZINC000828183569 604459940 /nfs/dbraw/zinc/45/99/40/604459940.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@H+]1C ZINC000828183569 604459943 /nfs/dbraw/zinc/45/99/43/604459943.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@@H+]1C ZINC000828183569 604459947 /nfs/dbraw/zinc/45/99/47/604459947.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@H+]1C ZINC000828183569 604459951 /nfs/dbraw/zinc/45/99/51/604459951.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183569 604459955 /nfs/dbraw/zinc/45/99/55/604459955.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183569 604459959 /nfs/dbraw/zinc/45/99/59/604459959.db2.gz JDQTUHMVLAOTGS-LXTVHRRPSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000824992556 608150903 /nfs/dbraw/zinc/15/09/03/608150903.db2.gz MPPNUEXNRNDAKL-BEFAXECRSA-N 2 2 392.511 1.877 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000826169332 608357128 /nfs/dbraw/zinc/35/71/28/608357128.db2.gz PILZHOQQLWQLHA-CALCHBBNSA-N 2 2 399.543 1.866 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000826169332 608357130 /nfs/dbraw/zinc/35/71/30/608357130.db2.gz PILZHOQQLWQLHA-CALCHBBNSA-N 2 2 399.543 1.866 20 0 GDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593233 609139608 /nfs/dbraw/zinc/13/96/08/609139608.db2.gz POKDHLQSVFRCDM-GUYCJALGSA-N 2 2 389.479 1.599 20 0 GDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593233 609139609 /nfs/dbraw/zinc/13/96/09/609139609.db2.gz POKDHLQSVFRCDM-GUYCJALGSA-N 2 2 389.479 1.599 20 0 GDADLP Cc1c(Cl)cnc(N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826236745 609550652 /nfs/dbraw/zinc/55/06/52/609550652.db2.gz AZZRCSNEGVBRLV-AWEZNQCLSA-N 2 2 390.923 1.828 20 0 GDADLP Cc1c(Cl)cnc(N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826236745 609550655 /nfs/dbraw/zinc/55/06/55/609550655.db2.gz AZZRCSNEGVBRLV-AWEZNQCLSA-N 2 2 390.923 1.828 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)nn1 ZINC000566000632 650825306 /nfs/dbraw/zinc/82/53/06/650825306.db2.gz OJOXKXAIWSLNJX-HNNXBMFYSA-N 2 2 393.289 1.775 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)nn1 ZINC000566000632 650825307 /nfs/dbraw/zinc/82/53/07/650825307.db2.gz OJOXKXAIWSLNJX-HNNXBMFYSA-N 2 2 393.289 1.775 20 0 GDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566797175 650867429 /nfs/dbraw/zinc/86/74/29/650867429.db2.gz HGRYHVIQMPQFDU-HZPDHXFCSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566797175 650867433 /nfs/dbraw/zinc/86/74/33/650867433.db2.gz HGRYHVIQMPQFDU-HZPDHXFCSA-N 2 2 387.318 1.625 20 0 GDADLP COC[C@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112989924 644637632 /nfs/dbraw/zinc/63/76/32/644637632.db2.gz QQHQJQUKLMZNAU-ROUUACIJSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112989924 644637637 /nfs/dbraw/zinc/63/76/37/644637637.db2.gz QQHQJQUKLMZNAU-ROUUACIJSA-N 2 2 376.563 1.118 20 0 GDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000292083831 645202159 /nfs/dbraw/zinc/20/21/59/645202159.db2.gz DSNXTSZEAPQGHK-XJKSGUPXSA-N 2 2 384.318 1.625 20 0 GDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000423075365 646111644 /nfs/dbraw/zinc/11/16/44/646111644.db2.gz OJVZGTODAPHRBE-KKXDTOCCSA-N 2 2 383.330 1.957 20 0 GDADLP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1F ZINC000423100952 646113911 /nfs/dbraw/zinc/11/39/11/646113911.db2.gz NDBNQHSUHBJNRG-GDBMZVCRSA-N 2 2 391.896 1.114 20 0 GDADLP CSC1(CNS(=O)(=O)c2cccc3c2CC[N@H+](C)C3)CC[NH+](C)CC1 ZINC000603345232 652703660 /nfs/dbraw/zinc/70/36/60/652703660.db2.gz SQZKTJGKIVRJRQ-UHFFFAOYSA-N 2 2 383.583 1.780 20 0 GDADLP CSC1(CNS(=O)(=O)c2cccc3c2CC[N@@H+](C)C3)CC[NH+](C)CC1 ZINC000603345232 652703667 /nfs/dbraw/zinc/70/36/67/652703667.db2.gz SQZKTJGKIVRJRQ-UHFFFAOYSA-N 2 2 383.583 1.780 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000613553320 652958624 /nfs/dbraw/zinc/95/86/24/652958624.db2.gz YTPOJKLTEDLDNH-ZIAGYGMSSA-N 2 2 382.302 1.438 20 0 GDADLP C[NH+](C)C[C@@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627418761 653075030 /nfs/dbraw/zinc/07/50/30/653075030.db2.gz BJNOCRAJHIYWPW-GFCCVEGCSA-N 2 2 397.253 1.423 20 0 GDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc(Br)c3c(c2)OCCO3)n1 ZINC000629653587 653180506 /nfs/dbraw/zinc/18/05/06/653180506.db2.gz QOBXCJQTCIXRLT-UHFFFAOYSA-N 2 2 381.230 1.464 20 0 GDADLP CC(F)(F)CCS(=O)(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000631944660 653275727 /nfs/dbraw/zinc/27/57/27/653275727.db2.gz CVMGNBRWBKDTNC-UHFFFAOYSA-N 2 2 375.485 1.945 20 0 GDADLP [NH3+]CCOCC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557592 653610742 /nfs/dbraw/zinc/61/07/42/653610742.db2.gz MNCIORACKGXSPU-UHFFFAOYSA-N 2 2 381.274 1.650 20 0 GDADLP Cc1cc(Br)cn2c(CN3CN(CC[NH+](C)C)C(=O)[C@@H]3C)c[nH+]c12 ZINC000648065835 653638331 /nfs/dbraw/zinc/63/83/31/653638331.db2.gz QDKIAYYFPKWIAR-ZDUSSCGKSA-N 2 2 394.317 1.957 20 0 GDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294114 654183504 /nfs/dbraw/zinc/18/35/04/654183504.db2.gz GGSOSFYETPVAPW-CZUORRHYSA-N 2 2 384.318 1.842 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662260369 654291156 /nfs/dbraw/zinc/29/11/56/654291156.db2.gz KPXTXOHOCZCLGW-GXTWGEPZSA-N 2 2 383.290 1.483 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662260369 654291159 /nfs/dbraw/zinc/29/11/59/654291159.db2.gz KPXTXOHOCZCLGW-GXTWGEPZSA-N 2 2 383.290 1.483 20 0 GDADLP O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662260686 654291170 /nfs/dbraw/zinc/29/11/70/654291170.db2.gz PAGKOAVLXWCXCB-AWEZNQCLSA-N 2 2 383.290 1.483 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc(Br)ccc3F)C2)CC1 ZINC000792163847 655087347 /nfs/dbraw/zinc/08/73/47/655087347.db2.gz KCTRJSKTMWPUMF-NSHDSACASA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc(Br)ccc3F)C2)CC1 ZINC000792163847 655087348 /nfs/dbraw/zinc/08/73/48/655087348.db2.gz KCTRJSKTMWPUMF-NSHDSACASA-N 2 2 385.281 1.882 20 0 GDADLP Cn1nc(Br)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058059 655387640 /nfs/dbraw/zinc/38/76/40/655387640.db2.gz OEWYUEWLCIPVPO-OCCSQVGLSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1nc(Br)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843058059 655387641 /nfs/dbraw/zinc/38/76/41/655387641.db2.gz OEWYUEWLCIPVPO-OCCSQVGLSA-N 2 2 384.322 1.263 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2cccnc2Br)nn1 ZINC000864645828 655903649 /nfs/dbraw/zinc/90/36/49/655903649.db2.gz LWCNUJXMTBSUCZ-UHFFFAOYSA-N 2 2 397.321 1.898 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2cccnc2Br)nn1 ZINC000864645828 655903652 /nfs/dbraw/zinc/90/36/52/655903652.db2.gz LWCNUJXMTBSUCZ-UHFFFAOYSA-N 2 2 397.321 1.898 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000867964102 656135995 /nfs/dbraw/zinc/13/59/95/656135995.db2.gz ZUFVOYPNWUYXPS-CVEARBPZSA-N 2 2 384.318 1.922 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000895248125 658679399 /nfs/dbraw/zinc/67/93/99/658679399.db2.gz LARANVVHMGQLIT-CQSZACIVSA-N 2 2 380.290 1.434 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000895248125 658679406 /nfs/dbraw/zinc/67/94/06/658679406.db2.gz LARANVVHMGQLIT-CQSZACIVSA-N 2 2 380.290 1.434 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CCS1(=O)=O ZINC000895402482 658695055 /nfs/dbraw/zinc/69/50/55/658695055.db2.gz MXATTZOHWQYTGE-ZWNOBZJWSA-N 2 2 376.425 1.735 20 0 GDADLP [NH3+][C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1C(F)(F)F ZINC000903514823 659323793 /nfs/dbraw/zinc/32/37/93/659323793.db2.gz VZIQAPHXLIHLMN-ZIAGYGMSSA-N 2 2 376.448 1.214 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870843 659386057 /nfs/dbraw/zinc/38/60/57/659386057.db2.gz LKQNWAVNWVAJFR-KBUPBQIOSA-N 2 2 382.448 1.197 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870843 659386060 /nfs/dbraw/zinc/38/60/60/659386060.db2.gz LKQNWAVNWVAJFR-KBUPBQIOSA-N 2 2 382.448 1.197 20 0 GDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164683641 719728519 /nfs/dbraw/zinc/72/85/19/719728519.db2.gz BIYRQQQPWCPJOY-UHFFFAOYSA-N 3 2 386.544 1.014 20 0 GDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164683641 719728542 /nfs/dbraw/zinc/72/85/42/719728542.db2.gz BIYRQQQPWCPJOY-UHFFFAOYSA-N 3 2 386.544 1.014 20 0 GDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001164822367 720434485 /nfs/dbraw/zinc/43/44/85/720434485.db2.gz DFNWFTZWZAYLHW-KRWDZBQOSA-N 2 2 396.495 1.749 20 0 GDADLP Cc1nc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)cc(N2CCCC2)[nH+]1 ZINC001165008779 721730637 /nfs/dbraw/zinc/73/06/37/721730637.db2.gz QLCFJFFBNPVGMO-UHFFFAOYSA-N 2 2 386.544 1.908 20 0 GDADLP Cc1nc(N2CCCC2)cc(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)[nH+]1 ZINC001165008779 721730639 /nfs/dbraw/zinc/73/06/39/721730639.db2.gz QLCFJFFBNPVGMO-UHFFFAOYSA-N 2 2 386.544 1.908 20 0 GDADLP CCOc1cc[nH+]c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164914877 721781708 /nfs/dbraw/zinc/78/17/08/721781708.db2.gz GVIFSLXLSGSUOO-OAQYLSRUSA-N 2 2 384.480 1.983 20 0 GDADLP CCOc1cc[nH+]c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164914877 721781712 /nfs/dbraw/zinc/78/17/12/721781712.db2.gz GVIFSLXLSGSUOO-OAQYLSRUSA-N 2 2 384.480 1.983 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCCn4cnc(Cn5cccn5)c4C3)[nH+]2)CC1 ZINC001164939519 721915550 /nfs/dbraw/zinc/91/55/50/721915550.db2.gz UNMJGHAQBQEMMR-UHFFFAOYSA-N 2 2 392.511 1.685 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCCn4c(Cn5cccn5)nnc4C3)[nH+]2)CC1 ZINC001164971762 722089154 /nfs/dbraw/zinc/08/91/54/722089154.db2.gz BYLPOFUCXCDCSA-UHFFFAOYSA-N 2 2 393.499 1.080 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821188877 945649543 /nfs/dbraw/zinc/64/95/43/945649543.db2.gz DSUPLDILDJCQGG-KRWDZBQOSA-N 2 2 387.488 1.238 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821188877 945649546 /nfs/dbraw/zinc/64/95/46/945649546.db2.gz DSUPLDILDJCQGG-KRWDZBQOSA-N 2 2 387.488 1.238 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000826169257 947532645 /nfs/dbraw/zinc/53/26/45/947532645.db2.gz MJNWMPINAYOPHM-DFNIBXOVSA-N 2 2 397.527 1.618 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000826169257 947532653 /nfs/dbraw/zinc/53/26/53/947532653.db2.gz MJNWMPINAYOPHM-DFNIBXOVSA-N 2 2 397.527 1.618 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000826513801 948438692 /nfs/dbraw/zinc/43/86/92/948438692.db2.gz WKFAOJAUUIVAIM-FPOVZHCZSA-N 2 2 398.511 1.759 20 0 GDADLP CC(C)C[C@H](C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574124158 949564489 /nfs/dbraw/zinc/56/44/89/949564489.db2.gz DMRNQIMSVJZRKC-MRXNPFEDSA-N 2 2 383.460 1.298 20 0 GDADLP CC1CC[NH+](CC(=O)N(C)C2C[NH+](Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC001576191426 950198433 /nfs/dbraw/zinc/19/84/33/950198433.db2.gz GHTOMEWOJYPONG-UHFFFAOYSA-N 2 2 383.500 1.241 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001575902014 950247690 /nfs/dbraw/zinc/24/76/90/950247690.db2.gz RNAFQXQVBKGJIR-ABAIWWIYSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204664 950466752 /nfs/dbraw/zinc/46/67/52/950466752.db2.gz RBTKOWPLXIJTDI-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204664 950466764 /nfs/dbraw/zinc/46/67/64/950466764.db2.gz RBTKOWPLXIJTDI-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204664 950466778 /nfs/dbraw/zinc/46/67/78/950466778.db2.gz RBTKOWPLXIJTDI-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204664 950466793 /nfs/dbraw/zinc/46/67/93/950466793.db2.gz RBTKOWPLXIJTDI-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205003 950486858 /nfs/dbraw/zinc/48/68/58/950486858.db2.gz FOCASKUGNJYUIJ-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205003 950486871 /nfs/dbraw/zinc/48/68/71/950486871.db2.gz FOCASKUGNJYUIJ-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205003 950486888 /nfs/dbraw/zinc/48/68/88/950486888.db2.gz FOCASKUGNJYUIJ-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205003 950486898 /nfs/dbraw/zinc/48/68/98/950486898.db2.gz FOCASKUGNJYUIJ-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001576207135 950589910 /nfs/dbraw/zinc/58/99/10/950589910.db2.gz DBMHHGLMMBTSOK-GUTXKFCHSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001576207135 950589923 /nfs/dbraw/zinc/58/99/23/950589923.db2.gz DBMHHGLMMBTSOK-GUTXKFCHSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001576207135 950589941 /nfs/dbraw/zinc/58/99/41/950589941.db2.gz DBMHHGLMMBTSOK-GUTXKFCHSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001576207135 950589956 /nfs/dbraw/zinc/58/99/56/950589956.db2.gz DBMHHGLMMBTSOK-GUTXKFCHSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574521449 950781136 /nfs/dbraw/zinc/78/11/36/950781136.db2.gz GGELCSURKIJTMR-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090130 951756984 /nfs/dbraw/zinc/75/69/84/951756984.db2.gz JKIQCCXHEWPZBA-ZIAGYGMSSA-N 2 2 382.472 1.311 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571120228 952501979 /nfs/dbraw/zinc/50/19/79/952501979.db2.gz JUQURUPSIHMODW-KWCYVHTRSA-N 2 2 375.502 1.101 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571120228 952501984 /nfs/dbraw/zinc/50/19/84/952501984.db2.gz JUQURUPSIHMODW-KWCYVHTRSA-N 2 2 375.502 1.101 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571120228 952501991 /nfs/dbraw/zinc/50/19/91/952501991.db2.gz JUQURUPSIHMODW-KWCYVHTRSA-N 2 2 375.502 1.101 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001571120228 952501996 /nfs/dbraw/zinc/50/19/96/952501996.db2.gz JUQURUPSIHMODW-KWCYVHTRSA-N 2 2 375.502 1.101 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202263 952512294 /nfs/dbraw/zinc/51/22/94/952512294.db2.gz UZXQCGVENKTPCB-RCBQFDQVSA-N 2 2 380.456 1.205 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167256 952772969 /nfs/dbraw/zinc/77/29/69/952772969.db2.gz ZWDIFGOXTREFPU-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167256 952772971 /nfs/dbraw/zinc/77/29/71/952772971.db2.gz ZWDIFGOXTREFPU-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[C@H]1CCSC1 ZINC000119133865 530922758 /nfs/dbraw/zinc/92/27/58/530922758.db2.gz RPROMCQYDKRNJZ-AWEZNQCLSA-N 2 2 383.480 1.537 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[C@H]1CCSC1 ZINC000119133865 530922762 /nfs/dbraw/zinc/92/27/62/530922762.db2.gz RPROMCQYDKRNJZ-AWEZNQCLSA-N 2 2 383.480 1.537 20 0 GDADLP COCC[N@@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261631056 531093975 /nfs/dbraw/zinc/09/39/75/531093975.db2.gz BTKZIHSTTWNGKM-SUMWQHHRSA-N 2 2 384.318 1.802 20 0 GDADLP COCC[N@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261631056 531093977 /nfs/dbraw/zinc/09/39/77/531093977.db2.gz BTKZIHSTTWNGKM-SUMWQHHRSA-N 2 2 384.318 1.802 20 0 GDADLP Cc1nn(C)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1Br ZINC000261791579 531099018 /nfs/dbraw/zinc/09/90/18/531099018.db2.gz YYXCZGTXFZYCSY-ZIAGYGMSSA-N 2 2 398.349 1.571 20 0 GDADLP Cc1nn(C)c(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1Br ZINC000261791579 531099021 /nfs/dbraw/zinc/09/90/21/531099021.db2.gz YYXCZGTXFZYCSY-ZIAGYGMSSA-N 2 2 398.349 1.571 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCn2cc(Br)ccc2=O)CC1 ZINC000482034159 531393492 /nfs/dbraw/zinc/39/34/92/531393492.db2.gz VBZCCHUDSGNVLQ-UHFFFAOYSA-N 2 2 399.333 1.143 20 0 GDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@H](O)COc2ccc(Br)cc2)CC1 ZINC000534110711 531433361 /nfs/dbraw/zinc/43/33/61/531433361.db2.gz BQTRTDXMFNJTER-HNNXBMFYSA-N 2 2 395.301 1.745 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2ccc(Br)cc2)n1C ZINC000414315950 531438542 /nfs/dbraw/zinc/43/85/42/531438542.db2.gz NCUKGQHUJVQBPU-UHFFFAOYSA-N 2 2 380.290 1.768 20 0 GDADLP CS[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1[NH+](C)C ZINC000537275292 531458173 /nfs/dbraw/zinc/45/81/73/531458173.db2.gz FPQPSZYZVSKOLC-IAGOWNOFSA-N 2 2 382.599 1.370 20 0 GDADLP CC[C@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867992 531550882 /nfs/dbraw/zinc/55/08/82/531550882.db2.gz NMIVQDLWFQGYEL-HOCLYGCPSA-N 2 2 388.965 1.535 20 0 GDADLP CC[C@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867992 531550887 /nfs/dbraw/zinc/55/08/87/531550887.db2.gz NMIVQDLWFQGYEL-HOCLYGCPSA-N 2 2 388.965 1.535 20 0 GDADLP CC(=O)N[C@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053897 531609942 /nfs/dbraw/zinc/60/99/42/531609942.db2.gz MCMJMDJKDFWMLJ-HZPDHXFCSA-N 2 2 397.317 1.118 20 0 GDADLP CC(=O)N[C@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053897 531609948 /nfs/dbraw/zinc/60/99/48/531609948.db2.gz MCMJMDJKDFWMLJ-HZPDHXFCSA-N 2 2 397.317 1.118 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155847 531669752 /nfs/dbraw/zinc/66/97/52/531669752.db2.gz HDNILFLOWGWDPW-IRXDYDNUSA-N 2 2 399.329 1.720 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662155847 531669762 /nfs/dbraw/zinc/66/97/62/531669762.db2.gz HDNILFLOWGWDPW-IRXDYDNUSA-N 2 2 399.329 1.720 20 0 GDADLP O=S(=O)(CC[NH2+]CC1CCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000638370081 531652964 /nfs/dbraw/zinc/65/29/64/531652964.db2.gz IJMSDVDKTBPENF-UHFFFAOYSA-N 2 2 384.571 1.266 20 0 GDADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662501997 531681998 /nfs/dbraw/zinc/68/19/98/531681998.db2.gz QPIYHCUHFQTKMX-MRXNPFEDSA-N 2 2 397.317 1.071 20 0 GDADLP Brc1cnc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641787910 531853366 /nfs/dbraw/zinc/85/33/66/531853366.db2.gz FXCAJIUBXXBUNS-ZDUSSCGKSA-N 2 2 389.363 1.792 20 0 GDADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)[nH+]c12 ZINC000564873323 531869907 /nfs/dbraw/zinc/86/99/07/531869907.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 3 2 381.318 1.992 20 0 GDADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)[nH+]c12 ZINC000564873323 531869914 /nfs/dbraw/zinc/86/99/14/531869914.db2.gz NAUMBEINQPFICL-MRXNPFEDSA-N 3 2 381.318 1.992 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cncc(I)c1 ZINC000597989349 531962931 /nfs/dbraw/zinc/96/29/31/531962931.db2.gz FCKKDHWFLWLYGK-UHFFFAOYSA-N 2 2 390.269 1.300 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cncc(I)c1 ZINC000597989349 531962938 /nfs/dbraw/zinc/96/29/38/531962938.db2.gz FCKKDHWFLWLYGK-UHFFFAOYSA-N 2 2 390.269 1.300 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600726432 532053296 /nfs/dbraw/zinc/05/32/96/532053296.db2.gz LGNMSUSEEYHSCO-IWSPIJDZSA-N 2 2 378.317 1.222 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600726432 532053303 /nfs/dbraw/zinc/05/33/03/532053303.db2.gz LGNMSUSEEYHSCO-IWSPIJDZSA-N 2 2 378.317 1.222 20 0 GDADLP Ic1cnc(N2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000601325271 532061344 /nfs/dbraw/zinc/06/13/44/532061344.db2.gz BTKCHLDXYJNMSD-LBPRGKRZSA-N 2 2 387.269 1.203 20 0 GDADLP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC000328712614 532091550 /nfs/dbraw/zinc/09/15/50/532091550.db2.gz RUSCEDKXHKMANP-HNNXBMFYSA-N 2 2 384.571 1.465 20 0 GDADLP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC000328712614 532091553 /nfs/dbraw/zinc/09/15/53/532091553.db2.gz RUSCEDKXHKMANP-HNNXBMFYSA-N 2 2 384.571 1.465 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)CC1 ZINC000425402204 532137355 /nfs/dbraw/zinc/13/73/55/532137355.db2.gz IHZHUYWGNPDSHR-HNNXBMFYSA-N 2 2 386.587 1.210 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)CC1 ZINC000425402204 532137360 /nfs/dbraw/zinc/13/73/60/532137360.db2.gz IHZHUYWGNPDSHR-HNNXBMFYSA-N 2 2 386.587 1.210 20 0 GDADLP C[NH2+][C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333280982 532228011 /nfs/dbraw/zinc/22/80/11/532228011.db2.gz HOZBQKIBRICARB-NSHDSACASA-N 2 2 384.278 1.506 20 0 GDADLP C[NH+](C)[C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333210078 532225347 /nfs/dbraw/zinc/22/53/47/532225347.db2.gz TVMDZKLRIISBIG-GFCCVEGCSA-N 2 2 398.305 1.849 20 0 GDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430571846 532251914 /nfs/dbraw/zinc/25/19/14/532251914.db2.gz MZZVGWGWIBQFFV-AWEZNQCLSA-N 2 2 399.333 1.809 20 0 GDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430571846 532251917 /nfs/dbraw/zinc/25/19/17/532251917.db2.gz MZZVGWGWIBQFFV-AWEZNQCLSA-N 2 2 399.333 1.809 20 0 GDADLP CCc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000576364220 570454608 /nfs/dbraw/zinc/45/46/08/570454608.db2.gz NNTAEMRMVKIQPE-MRXNPFEDSA-N 2 2 385.512 1.778 20 0 GDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133776 598886708 /nfs/dbraw/zinc/88/67/08/598886708.db2.gz SFYWJXFUOMGUKQ-LSDHHAIUSA-N 2 2 395.515 1.824 20 0 GDADLP COC(=O)CCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736912903 599181177 /nfs/dbraw/zinc/18/11/77/599181177.db2.gz HWVVMTSNTYEBNH-UHFFFAOYSA-N 2 2 381.440 1.490 20 0 GDADLP Fc1cc(C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1-n1cc[nH+]c1 ZINC000737645042 598527063 /nfs/dbraw/zinc/52/70/63/598527063.db2.gz OPPKOMMYDOLZAG-CYBMUJFWSA-N 2 2 394.418 1.220 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000822332833 606227231 /nfs/dbraw/zinc/22/72/31/606227231.db2.gz UMKAAXOIWJMXJU-PBHICJAKSA-N 2 2 379.468 1.880 20 0 GDADLP CC1(C)CC([NH2+]CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC(C)(C)[NH2+]1 ZINC000820590262 606307571 /nfs/dbraw/zinc/30/75/71/606307571.db2.gz RBULBLAVACBYHO-UHFFFAOYSA-N 2 2 392.529 1.539 20 0 GDADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716592 607097975 /nfs/dbraw/zinc/09/79/75/607097975.db2.gz JVGHRPNBOKTWGY-CPUCHLNUSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716592 607097977 /nfs/dbraw/zinc/09/79/77/607097977.db2.gz JVGHRPNBOKTWGY-CPUCHLNUSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545865 609335505 /nfs/dbraw/zinc/33/55/05/609335505.db2.gz DYQSDKRMGSNPCP-ZBFHGGJFSA-N 2 2 389.479 1.063 20 0 GDADLP [NH3+][C@H]1C[C@@H]2CN(c3cc[nH+]c4cc(F)c(Br)cc43)CCN2C1=O ZINC000565233401 650788476 /nfs/dbraw/zinc/78/84/76/650788476.db2.gz TXCKVWJZWRHKIZ-RNCFNFMXSA-N 2 2 379.233 1.885 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423116001 646114994 /nfs/dbraw/zinc/11/49/94/646114994.db2.gz ONZRLOYFUNBBMJ-YPMHNXCESA-N 2 2 379.885 1.114 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000918907322 660242651 /nfs/dbraw/zinc/24/26/51/660242651.db2.gz XCAHQSLNXKATDU-LBPRGKRZSA-N 2 2 397.321 1.207 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000918907322 660242652 /nfs/dbraw/zinc/24/26/52/660242652.db2.gz XCAHQSLNXKATDU-LBPRGKRZSA-N 2 2 397.321 1.207 20 0 GDADLP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498892663 648069445 /nfs/dbraw/zinc/06/94/45/648069445.db2.gz QCKDEIWADSLCJW-HDICACEKSA-N 2 2 375.579 1.386 20 0 GDADLP C[C@@H]1C[C@H](C)C[N@H+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498892663 648069453 /nfs/dbraw/zinc/06/94/53/648069453.db2.gz QCKDEIWADSLCJW-HDICACEKSA-N 2 2 375.579 1.386 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000575055706 651579606 /nfs/dbraw/zinc/57/96/06/651579606.db2.gz CUYUZJWEYXANQT-SFHVURJKSA-N 2 2 397.361 1.767 20 0 GDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@H]1C[NH2+]CCC1(F)F ZINC000578744199 651809623 /nfs/dbraw/zinc/80/96/23/651809623.db2.gz PIYNXTSIGXIHFT-OBJOEFQTSA-N 2 2 376.448 1.957 20 0 GDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@H]1C[NH2+]CCC1(F)F ZINC000578744199 651809634 /nfs/dbraw/zinc/80/96/34/651809634.db2.gz PIYNXTSIGXIHFT-OBJOEFQTSA-N 2 2 376.448 1.957 20 0 GDADLP [NH3+]C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)CC12CCOCC2 ZINC000582423782 651995420 /nfs/dbraw/zinc/99/54/20/651995420.db2.gz LEHDSGIFEOZTPE-GFCCVEGCSA-N 2 2 383.290 1.470 20 0 GDADLP [NH3+]C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)CC12CCOCC2 ZINC000582423782 651995421 /nfs/dbraw/zinc/99/54/21/651995421.db2.gz LEHDSGIFEOZTPE-GFCCVEGCSA-N 2 2 383.290 1.470 20 0 GDADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000629531759 653169115 /nfs/dbraw/zinc/16/91/15/653169115.db2.gz XFIIJJIWBIRNTQ-RDJZCZTQSA-N 2 2 393.329 1.682 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258927 653232683 /nfs/dbraw/zinc/23/26/83/653232683.db2.gz FOMVSIJDSDWUMV-NSHDSACASA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258927 653232684 /nfs/dbraw/zinc/23/26/84/653232684.db2.gz FOMVSIJDSDWUMV-NSHDSACASA-N 2 2 385.281 1.882 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634722397 653497598 /nfs/dbraw/zinc/49/75/98/653497598.db2.gz OJAJXSNEBGOQOM-HOCLYGCPSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634722397 653497601 /nfs/dbraw/zinc/49/76/01/653497601.db2.gz OJAJXSNEBGOQOM-HOCLYGCPSA-N 2 2 390.311 1.663 20 0 GDADLP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnn3cc(Br)cnc13)CCO2 ZINC000639287223 653549283 /nfs/dbraw/zinc/54/92/83/653549283.db2.gz XSQUDENMXTYVTE-UHFFFAOYSA-N 2 2 380.290 1.788 20 0 GDADLP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnn3cc(Br)cnc13)CCO2 ZINC000639287223 653549284 /nfs/dbraw/zinc/54/92/84/653549284.db2.gz XSQUDENMXTYVTE-UHFFFAOYSA-N 2 2 380.290 1.788 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1Br)OCCCO2 ZINC000647836195 653635670 /nfs/dbraw/zinc/63/56/70/653635670.db2.gz LPIRZEIQCDPILC-UHFFFAOYSA-N 2 2 384.318 1.947 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc2c(cc1Br)OCCCO2 ZINC000647836195 653635673 /nfs/dbraw/zinc/63/56/73/653635673.db2.gz LPIRZEIQCDPILC-UHFFFAOYSA-N 2 2 384.318 1.947 20 0 GDADLP CN(Cc1cc(Br)cs1)C(=O)C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662287403 654292035 /nfs/dbraw/zinc/29/20/35/654292035.db2.gz ZVJBPPZORNDRFB-UHFFFAOYSA-N 2 2 376.320 1.173 20 0 GDADLP CO[C@]1(C)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000791559727 655073912 /nfs/dbraw/zinc/07/39/12/655073912.db2.gz YWVCOGVMXIPELU-QZTJIDSGSA-N 2 2 376.563 1.403 20 0 GDADLP CO[C@]1(C)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000791559727 655073914 /nfs/dbraw/zinc/07/39/14/655073914.db2.gz YWVCOGVMXIPELU-QZTJIDSGSA-N 2 2 376.563 1.403 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc2c(Br)cnn2c1 ZINC000824958157 655482755 /nfs/dbraw/zinc/48/27/55/655482755.db2.gz SRQKQMKNMIRNSE-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc2c(Br)cnn2c1 ZINC000824958157 655482756 /nfs/dbraw/zinc/48/27/56/655482756.db2.gz SRQKQMKNMIRNSE-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866714079 655956247 /nfs/dbraw/zinc/95/62/47/655956247.db2.gz FTDOLJFSXNVIQY-MXWKQRLJSA-N 2 2 376.404 1.837 20 0 GDADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866714079 655956249 /nfs/dbraw/zinc/95/62/49/655956249.db2.gz FTDOLJFSXNVIQY-MXWKQRLJSA-N 2 2 376.404 1.837 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000876755011 656628084 /nfs/dbraw/zinc/62/80/84/656628084.db2.gz XBFAOVLGUVCANG-JYJNAYRXSA-N 2 2 382.302 1.507 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cccc(Br)c1 ZINC000876755013 656628367 /nfs/dbraw/zinc/62/83/67/656628367.db2.gz XBFAOVLGUVCANG-PMPSAXMXSA-N 2 2 382.302 1.507 20 0 GDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876780692 656630228 /nfs/dbraw/zinc/63/02/28/656630228.db2.gz IPNPIGVTQPLCMA-KRWDZBQOSA-N 2 2 397.361 1.983 20 0 GDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876780692 656630233 /nfs/dbraw/zinc/63/02/33/656630233.db2.gz IPNPIGVTQPLCMA-KRWDZBQOSA-N 2 2 397.361 1.983 20 0 GDADLP C[C@@]1(Br)C[C@@H]1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892749919 658347588 /nfs/dbraw/zinc/34/75/88/658347588.db2.gz HGXCDNIJVXRNEV-RHSMWYFYSA-N 2 2 381.318 1.883 20 0 GDADLP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCS(=O)(=O)N=S(C)(C)=O)cc1 ZINC000903229176 659307013 /nfs/dbraw/zinc/30/70/13/659307013.db2.gz FFCZIWMSSJOPBQ-CYBMUJFWSA-N 2 2 384.527 1.889 20 0 GDADLP CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654620 659565464 /nfs/dbraw/zinc/56/54/64/659565464.db2.gz KZYSBXSUURNQJF-STQMWFEESA-N 2 2 386.751 1.735 20 0 GDADLP CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654620 659565467 /nfs/dbraw/zinc/56/54/67/659565467.db2.gz KZYSBXSUURNQJF-STQMWFEESA-N 2 2 386.751 1.735 20 0 GDADLP COC(=O)c1c[nH]c2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164683594 719627232 /nfs/dbraw/zinc/62/72/32/719627232.db2.gz TVJQPICPPMUABW-UHFFFAOYSA-N 2 2 383.456 1.416 20 0 GDADLP COC(=O)c1c[nH]c2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164683594 719627236 /nfs/dbraw/zinc/62/72/36/719627236.db2.gz TVJQPICPPMUABW-UHFFFAOYSA-N 2 2 383.456 1.416 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OC)c4ccccc4[nH+]3)C2)C1 ZINC001164721874 720270788 /nfs/dbraw/zinc/27/07/88/720270788.db2.gz MKWWHVZDZTYKHM-QFIPXVFZSA-N 2 2 398.507 1.908 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OC)c4ccccc4[nH+]3)C2)C1 ZINC001164721874 720270796 /nfs/dbraw/zinc/27/07/96/720270796.db2.gz MKWWHVZDZTYKHM-QFIPXVFZSA-N 2 2 398.507 1.908 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746091 720808896 /nfs/dbraw/zinc/80/88/96/720808896.db2.gz LTUIBCJXGXODTD-GUDVDZBRSA-N 2 2 396.543 1.904 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746091 720808898 /nfs/dbraw/zinc/80/88/98/720808898.db2.gz LTUIBCJXGXODTD-GUDVDZBRSA-N 2 2 396.543 1.904 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164772238 721163223 /nfs/dbraw/zinc/16/32/23/721163223.db2.gz UQKMSRJNBTUXAB-MSOLQXFVSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@@H]3C2)cn1 ZINC001164772238 721163230 /nfs/dbraw/zinc/16/32/30/721163230.db2.gz UQKMSRJNBTUXAB-MSOLQXFVSA-N 2 2 383.500 1.005 20 0 GDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001164776454 721349487 /nfs/dbraw/zinc/34/94/87/721349487.db2.gz BRPUXHKNUUTNTO-NRFANRHFSA-N 2 2 398.511 1.804 20 0 GDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncc4c(n3)C[NH2+]C4)C2)C1 ZINC001164776454 721349488 /nfs/dbraw/zinc/34/94/88/721349488.db2.gz BRPUXHKNUUTNTO-NRFANRHFSA-N 2 2 398.511 1.804 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282515 945846892 /nfs/dbraw/zinc/84/68/92/945846892.db2.gz JHXSOXFQWCGVCI-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282515 945846902 /nfs/dbraw/zinc/84/69/02/945846902.db2.gz JHXSOXFQWCGVCI-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282515 945846906 /nfs/dbraw/zinc/84/69/06/945846906.db2.gz JHXSOXFQWCGVCI-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282515 945846918 /nfs/dbraw/zinc/84/69/18/945846918.db2.gz JHXSOXFQWCGVCI-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440723 946708624 /nfs/dbraw/zinc/70/86/24/946708624.db2.gz JIHDFGZJCFMMCP-DNVCBOLYSA-N 2 2 386.500 1.615 20 0 GDADLP C[C@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440722 946708851 /nfs/dbraw/zinc/70/88/51/946708851.db2.gz JIHDFGZJCFMMCP-BEFAXECRSA-N 2 2 386.500 1.615 20 0 GDADLP c1ccc(NCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826521908 948452661 /nfs/dbraw/zinc/45/26/61/948452661.db2.gz CVJZEDLYBGGXPN-UHFFFAOYSA-N 2 2 378.484 1.928 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266037 949466002 /nfs/dbraw/zinc/46/60/02/949466002.db2.gz WVHROEYPZCCLBQ-YVEFUNNKSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266037 949466019 /nfs/dbraw/zinc/46/60/19/949466019.db2.gz WVHROEYPZCCLBQ-YVEFUNNKSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](CC(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574476066 949587708 /nfs/dbraw/zinc/58/77/08/949587708.db2.gz FMXPIFBADXUNDG-KGLIPLIRSA-N 2 2 381.444 1.147 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001573813213 949628987 /nfs/dbraw/zinc/62/89/87/949628987.db2.gz XCTHNQPLMYMNNV-INIZCTEOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575880560 949704307 /nfs/dbraw/zinc/70/43/07/949704307.db2.gz ULHQMQZTXQVJGX-DZGCQCFKSA-N 2 2 381.444 1.022 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575282478 949837605 /nfs/dbraw/zinc/83/76/05/949837605.db2.gz BVRKQMYCVGDXBG-ZDUSSCGKSA-N 2 2 389.479 1.283 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575282478 949837632 /nfs/dbraw/zinc/83/76/32/949837632.db2.gz BVRKQMYCVGDXBG-ZDUSSCGKSA-N 2 2 389.479 1.283 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285210 949937093 /nfs/dbraw/zinc/93/70/93/949937093.db2.gz LUWXLQCPKRETDB-CABCVRRESA-N 2 2 386.504 1.323 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285210 949937111 /nfs/dbraw/zinc/93/71/11/949937111.db2.gz LUWXLQCPKRETDB-CABCVRRESA-N 2 2 386.504 1.323 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575900240 950190994 /nfs/dbraw/zinc/19/09/94/950190994.db2.gz COZVMALXYIDPNS-BZNIZROVSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574506025 950424762 /nfs/dbraw/zinc/42/47/62/950424762.db2.gz AANJMKFIIFOVGO-STQMWFEESA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574521760 950783083 /nfs/dbraw/zinc/78/30/83/950783083.db2.gz HMBNKLHDXVIHFH-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574524135 950843587 /nfs/dbraw/zinc/84/35/87/950843587.db2.gz UCKZVPIZIBWWKF-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574524483 950863090 /nfs/dbraw/zinc/86/30/90/950863090.db2.gz XABQLUAZMCQNRQ-ZIAGYGMSSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078950 951686276 /nfs/dbraw/zinc/68/62/76/951686276.db2.gz BHVARXSUTSSUIW-CYBMUJFWSA-N 2 2 386.435 1.135 20 0 GDADLP C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001575115538 951966325 /nfs/dbraw/zinc/96/63/25/951966325.db2.gz YCMGGIWLENCFBS-IBGZPJMESA-N 2 2 380.456 1.207 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001571171877 952797842 /nfs/dbraw/zinc/79/78/42/952797842.db2.gz HJFNSYTXSMKTOI-WKILWMFISA-N 2 2 380.456 1.350 20 0 GDADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC(=O)NCC(F)(F)F)CC1 ZINC000180085853 530756931 /nfs/dbraw/zinc/75/69/31/530756931.db2.gz DNQFWLPFYFMDGB-UHFFFAOYSA-N 2 2 378.826 1.860 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000182952981 530807617 /nfs/dbraw/zinc/80/76/17/530807617.db2.gz RMJBEDUSWFBIGR-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000182952981 530807620 /nfs/dbraw/zinc/80/76/20/530807620.db2.gz RMJBEDUSWFBIGR-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP CCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1 ZINC000130550871 531062586 /nfs/dbraw/zinc/06/25/86/531062586.db2.gz RMWCRVWMQDEWJZ-UHFFFAOYSA-N 2 2 386.484 1.312 20 0 GDADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237336644 531045347 /nfs/dbraw/zinc/04/53/47/531045347.db2.gz UCLAIYKJYNCVLI-HOTGVXAUSA-N 2 2 387.933 1.355 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000261884251 531101484 /nfs/dbraw/zinc/10/14/84/531101484.db2.gz UMGPQAASOYKXFJ-RDTXWAMCSA-N 2 2 396.329 1.804 20 0 GDADLP CSCC[C@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000157249018 531206333 /nfs/dbraw/zinc/20/63/33/531206333.db2.gz VTPYRGYMLBIBJA-HNNXBMFYSA-N 2 2 381.933 1.712 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000436061591 531275228 /nfs/dbraw/zinc/27/52/28/531275228.db2.gz UILNTJLBVUQBIE-HNNXBMFYSA-N 2 2 397.317 1.707 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000436061591 531275230 /nfs/dbraw/zinc/27/52/30/531275230.db2.gz UILNTJLBVUQBIE-HNNXBMFYSA-N 2 2 397.317 1.707 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000484279919 531418001 /nfs/dbraw/zinc/41/80/01/531418001.db2.gz MGUICMJRALMQID-AWEZNQCLSA-N 2 2 378.274 1.103 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)[C@@H]1C[N@H+]2CCN1CCC2 ZINC000484279919 531418006 /nfs/dbraw/zinc/41/80/06/531418006.db2.gz MGUICMJRALMQID-AWEZNQCLSA-N 2 2 378.274 1.103 20 0 GDADLP COCC(COC)[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000414474604 531457079 /nfs/dbraw/zinc/45/70/79/531457079.db2.gz SOLZZRMRXYVAOL-UHFFFAOYSA-N 2 2 397.317 1.876 20 0 GDADLP CC[NH+](CC)CCSCC(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC000363566944 531492606 /nfs/dbraw/zinc/49/26/06/531492606.db2.gz CECHSYVACZYPNH-KRWDZBQOSA-N 2 2 375.604 1.386 20 0 GDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435163 531497285 /nfs/dbraw/zinc/49/72/85/531497285.db2.gz BOKKWVBNZPFUTO-ZYHUDNBSSA-N 2 2 376.320 1.841 20 0 GDADLP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435163 531497290 /nfs/dbraw/zinc/49/72/90/531497290.db2.gz BOKKWVBNZPFUTO-ZYHUDNBSSA-N 2 2 376.320 1.841 20 0 GDADLP CC(C)N(CC[NH+]1CCCCCC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000557855786 531531374 /nfs/dbraw/zinc/53/13/74/531531374.db2.gz RXDNALNXSZZPGC-UHFFFAOYSA-N 2 2 375.579 1.625 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[nH+]c12 ZINC000659681800 531552480 /nfs/dbraw/zinc/55/24/80/531552480.db2.gz AEDCKCAOVUGTJA-UHFFFAOYSA-N 2 2 396.289 1.217 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000556104801 531588830 /nfs/dbraw/zinc/58/88/30/531588830.db2.gz LGFALKZOJNUFQA-INIZCTEOSA-N 2 2 386.949 1.199 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000556104801 531588839 /nfs/dbraw/zinc/58/88/39/531588839.db2.gz LGFALKZOJNUFQA-INIZCTEOSA-N 2 2 386.949 1.199 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155846 531669668 /nfs/dbraw/zinc/66/96/68/531669668.db2.gz HDNILFLOWGWDPW-IAGOWNOFSA-N 2 2 399.329 1.720 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155846 531669676 /nfs/dbraw/zinc/66/96/76/531669676.db2.gz HDNILFLOWGWDPW-IAGOWNOFSA-N 2 2 399.329 1.720 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC000661730147 531657595 /nfs/dbraw/zinc/65/75/95/531657595.db2.gz IDJVJTTVGIFPRM-KRWDZBQOSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOC[C@H]2c2cccc(Br)c2)CC1 ZINC000661730147 531657602 /nfs/dbraw/zinc/65/76/02/531657602.db2.gz IDJVJTTVGIFPRM-KRWDZBQOSA-N 2 2 396.329 1.987 20 0 GDADLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178566 531684948 /nfs/dbraw/zinc/68/49/48/531684948.db2.gz MKQAGEOFLJAJQM-SMDDNHRTSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178566 531684954 /nfs/dbraw/zinc/68/49/54/531684954.db2.gz MKQAGEOFLJAJQM-SMDDNHRTSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178566 531684960 /nfs/dbraw/zinc/68/49/60/531684960.db2.gz MKQAGEOFLJAJQM-SMDDNHRTSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178566 531684966 /nfs/dbraw/zinc/68/49/66/531684966.db2.gz MKQAGEOFLJAJQM-SMDDNHRTSA-N 2 2 390.347 1.869 20 0 GDADLP Cn1cc(Br)c(=O)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000666698568 531765574 /nfs/dbraw/zinc/76/55/74/531765574.db2.gz RFICZKULUGVSRF-UHFFFAOYSA-N 2 2 388.310 1.153 20 0 GDADLP Cn1cc(Br)c(=O)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666698568 531765580 /nfs/dbraw/zinc/76/55/80/531765580.db2.gz RFICZKULUGVSRF-UHFFFAOYSA-N 2 2 388.310 1.153 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@@H](C[NH3+])C1 ZINC000563610171 531856838 /nfs/dbraw/zinc/85/68/38/531856838.db2.gz ANXAFPRSZNUVMM-LBPRGKRZSA-N 2 2 399.289 1.005 20 0 GDADLP C[C@@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C[NH2+]1 ZINC000625893066 531918665 /nfs/dbraw/zinc/91/86/65/531918665.db2.gz JEIMAKGSLQXGMP-NEPJUHHUSA-N 2 2 398.305 1.943 20 0 GDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000571056338 531947378 /nfs/dbraw/zinc/94/73/78/531947378.db2.gz HYPIXKMFJMJLIY-NSHDSACASA-N 2 2 399.289 1.651 20 0 GDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])ccc1Br ZINC000571056338 531947383 /nfs/dbraw/zinc/94/73/83/531947383.db2.gz HYPIXKMFJMJLIY-NSHDSACASA-N 2 2 399.289 1.651 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000369806746 531973931 /nfs/dbraw/zinc/97/39/31/531973931.db2.gz ZJIWBTLXLIEFQI-QGZVFWFLSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)CC1 ZINC000369806746 531973937 /nfs/dbraw/zinc/97/39/37/531973937.db2.gz ZJIWBTLXLIEFQI-QGZVFWFLSA-N 2 2 396.329 1.987 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086146 532070322 /nfs/dbraw/zinc/07/03/22/532070322.db2.gz LKBQMBFVMILHSH-WCQYABFASA-N 2 2 380.432 1.966 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108736 532072905 /nfs/dbraw/zinc/07/29/05/532072905.db2.gz UGIYVLVDANNKDG-KGLIPLIRSA-N 2 2 375.922 1.365 20 0 GDADLP CC[N@H+](CCO)CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000470076199 532082419 /nfs/dbraw/zinc/08/24/19/532082419.db2.gz VYLPTOVSPAHQFF-UHFFFAOYSA-N 2 2 384.278 1.210 20 0 GDADLP CC[N@@H+](CCO)CCNC(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000470076199 532082421 /nfs/dbraw/zinc/08/24/21/532082421.db2.gz VYLPTOVSPAHQFF-UHFFFAOYSA-N 2 2 384.278 1.210 20 0 GDADLP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC000328712866 532091720 /nfs/dbraw/zinc/09/17/20/532091720.db2.gz RUSCEDKXHKMANP-OAHLLOKOSA-N 2 2 384.571 1.465 20 0 GDADLP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCN1CCCS1(=O)=O)CC2 ZINC000328712866 532091725 /nfs/dbraw/zinc/09/17/25/532091725.db2.gz RUSCEDKXHKMANP-OAHLLOKOSA-N 2 2 384.571 1.465 20 0 GDADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1C[N@H+](C)CCO1 ZINC000425095219 532118126 /nfs/dbraw/zinc/11/81/26/532118126.db2.gz AQWBPBXSCUYLKP-INIZCTEOSA-N 2 2 399.333 1.716 20 0 GDADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@@H]1C[N@@H+](C)CCO1 ZINC000425095219 532118130 /nfs/dbraw/zinc/11/81/30/532118130.db2.gz AQWBPBXSCUYLKP-INIZCTEOSA-N 2 2 399.333 1.716 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)CC1 ZINC000425402213 532137791 /nfs/dbraw/zinc/13/77/91/532137791.db2.gz IHZHUYWGNPDSHR-OAHLLOKOSA-N 2 2 386.587 1.210 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(S(=O)(=O)N(C)C)s3)C2)CC1 ZINC000425402213 532137794 /nfs/dbraw/zinc/13/77/94/532137794.db2.gz IHZHUYWGNPDSHR-OAHLLOKOSA-N 2 2 386.587 1.210 20 0 GDADLP C[NH2+][C@@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333258083 532227391 /nfs/dbraw/zinc/22/73/91/532227391.db2.gz DNGGRDOKGUTLFM-GFCCVEGCSA-N 2 2 398.305 1.896 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000430938004 532258453 /nfs/dbraw/zinc/25/84/53/532258453.db2.gz GHLBJUWEDZXFHP-CZUORRHYSA-N 2 2 384.318 1.955 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000430938004 532258456 /nfs/dbraw/zinc/25/84/56/532258456.db2.gz GHLBJUWEDZXFHP-CZUORRHYSA-N 2 2 384.318 1.955 20 0 GDADLP CN(CCC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1)CC[NH+](C)C ZINC000289461367 532325134 /nfs/dbraw/zinc/32/51/34/532325134.db2.gz QCENTWYPWWUCTD-INIZCTEOSA-N 2 2 385.350 1.791 20 0 GDADLP CN(CCC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1)CC[NH+](C)C ZINC000289461367 532325136 /nfs/dbraw/zinc/32/51/36/532325136.db2.gz QCENTWYPWWUCTD-INIZCTEOSA-N 2 2 385.350 1.791 20 0 GDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392721 599011238 /nfs/dbraw/zinc/01/12/38/599011238.db2.gz GXFSTZODYQQGAC-UXHICEINSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392721 599011240 /nfs/dbraw/zinc/01/12/40/599011240.db2.gz GXFSTZODYQQGAC-UXHICEINSA-N 2 2 378.480 1.839 20 0 GDADLP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399530 599073047 /nfs/dbraw/zinc/07/30/47/599073047.db2.gz LDNSAKKFGOMXBH-KBXCAEBGSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399530 599073049 /nfs/dbraw/zinc/07/30/49/599073049.db2.gz LDNSAKKFGOMXBH-KBXCAEBGSA-N 2 2 392.467 1.531 20 0 GDADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000737745404 599074061 /nfs/dbraw/zinc/07/40/61/599074061.db2.gz YFRBHTSHFJUABE-SUMWQHHRSA-N 2 2 378.440 1.222 20 0 GDADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000737745404 599074064 /nfs/dbraw/zinc/07/40/64/599074064.db2.gz YFRBHTSHFJUABE-SUMWQHHRSA-N 2 2 378.440 1.222 20 0 GDADLP C[NH+]1CCC(CNC(=O)Nc2cccc(-c3nn[nH]n3)c2)([NH+]2CCCCC2)CC1 ZINC000821621973 599246543 /nfs/dbraw/zinc/24/65/43/599246543.db2.gz NKWDXOSXJVMTHI-UHFFFAOYSA-N 2 2 398.515 1.939 20 0 GDADLP C[N@@H+]1CC[C@@H](C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000736846678 598258974 /nfs/dbraw/zinc/25/89/74/598258974.db2.gz AFCUAJVDBYADFH-CQSZACIVSA-N 2 2 392.467 1.015 20 0 GDADLP C[N@H+]1CC[C@@H](C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000736846678 598258975 /nfs/dbraw/zinc/25/89/75/598258975.db2.gz AFCUAJVDBYADFH-CQSZACIVSA-N 2 2 392.467 1.015 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500065 598355813 /nfs/dbraw/zinc/35/58/13/598355813.db2.gz NJXWIFNMCIXPQF-IAGOWNOFSA-N 2 2 383.456 1.448 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500065 598355818 /nfs/dbraw/zinc/35/58/18/598355818.db2.gz NJXWIFNMCIXPQF-IAGOWNOFSA-N 2 2 383.456 1.448 20 0 GDADLP c1cn(-c2ccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)c[nH+]1 ZINC000738445144 598526928 /nfs/dbraw/zinc/52/69/28/598526928.db2.gz CYOMOLZQUTWCIM-CQSZACIVSA-N 2 2 376.428 1.080 20 0 GDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883442 599315113 /nfs/dbraw/zinc/31/51/13/599315113.db2.gz YDVSCWPAJVRPFK-XLIONFOSSA-N 2 2 399.543 1.655 20 0 GDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883442 599315115 /nfs/dbraw/zinc/31/51/15/599315115.db2.gz YDVSCWPAJVRPFK-XLIONFOSSA-N 2 2 399.543 1.655 20 0 GDADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292170 599356767 /nfs/dbraw/zinc/35/67/67/599356767.db2.gz XKMIBKYNZDSFID-MRXNPFEDSA-N 2 2 378.440 1.575 20 0 GDADLP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1sccc1-c1nn[nH]n1 ZINC000823514192 606310362 /nfs/dbraw/zinc/31/03/62/606310362.db2.gz XMNHSKPUDZLMPC-AAEUAGOBSA-N 2 2 384.469 1.397 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000821622320 606539937 /nfs/dbraw/zinc/53/99/37/606539937.db2.gz YZQQSDIOSJDQRH-UHFFFAOYSA-N 2 2 375.502 1.217 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000821702288 606616447 /nfs/dbraw/zinc/61/64/47/606616447.db2.gz OMVKPJQGMQCIPB-MRXNPFEDSA-N 2 2 383.456 1.924 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000821702288 606616449 /nfs/dbraw/zinc/61/64/49/606616449.db2.gz OMVKPJQGMQCIPB-MRXNPFEDSA-N 2 2 383.456 1.924 20 0 GDADLP C[C@H]1C[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824991631 608170693 /nfs/dbraw/zinc/17/06/93/608170693.db2.gz DGOAHAKWKAMMHG-WMZOPIPTSA-N 2 2 394.527 1.577 20 0 GDADLP C[C@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824991631 608170695 /nfs/dbraw/zinc/17/06/95/608170695.db2.gz DGOAHAKWKAMMHG-WMZOPIPTSA-N 2 2 394.527 1.577 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824909852 608653836 /nfs/dbraw/zinc/65/38/36/608653836.db2.gz VKQGODRSHZGOCN-GASCZTMLSA-N 2 2 375.546 1.919 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824909852 608653838 /nfs/dbraw/zinc/65/38/38/608653838.db2.gz VKQGODRSHZGOCN-GASCZTMLSA-N 2 2 375.546 1.919 20 0 GDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593234 609139570 /nfs/dbraw/zinc/13/95/70/609139570.db2.gz POKDHLQSVFRCDM-SUMWQHHRSA-N 2 2 389.479 1.599 20 0 GDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593234 609139571 /nfs/dbraw/zinc/13/95/71/609139571.db2.gz POKDHLQSVFRCDM-SUMWQHHRSA-N 2 2 389.479 1.599 20 0 GDADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1ncc(Br)s1 ZINC000534495854 650222625 /nfs/dbraw/zinc/22/26/25/650222625.db2.gz VQAUNYZGNKVWOM-ZDUSSCGKSA-N 2 2 391.379 1.946 20 0 GDADLP [NH3+][C@@H]1C[C@H]2CN(c3cc[nH+]c4cc(F)c(Br)cc43)CCN2C1=O ZINC000565233404 650788428 /nfs/dbraw/zinc/78/84/28/650788428.db2.gz TXCKVWJZWRHKIZ-TVQRCGJNSA-N 2 2 379.233 1.885 20 0 GDADLP COC[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000112989922 644637410 /nfs/dbraw/zinc/63/74/10/644637410.db2.gz QQHQJQUKLMZNAU-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@H](COC)C2)C1 ZINC000112989922 644637429 /nfs/dbraw/zinc/63/74/29/644637429.db2.gz QQHQJQUKLMZNAU-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@@H]1CCC[N@@H+](CCS(=O)(=O)CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000112989922 644637436 /nfs/dbraw/zinc/63/74/36/644637436.db2.gz QQHQJQUKLMZNAU-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@@H]1CCC[N@H+](CCS(=O)(=O)CC[NH+]2CCC[C@H](COC)C2)C1 ZINC000112989922 644637440 /nfs/dbraw/zinc/63/74/40/644637440.db2.gz QQHQJQUKLMZNAU-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261669455 645115561 /nfs/dbraw/zinc/11/55/61/645115561.db2.gz IXQOYPWTPWGLRO-QGZVFWFLSA-N 2 2 384.318 1.957 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261669455 645115567 /nfs/dbraw/zinc/11/55/67/645115567.db2.gz IXQOYPWTPWGLRO-QGZVFWFLSA-N 2 2 384.318 1.957 20 0 GDADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420353842 645941584 /nfs/dbraw/zinc/94/15/84/645941584.db2.gz AUIXJFCDATWNCO-OAHLLOKOSA-N 2 2 388.921 1.423 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423095183 646112282 /nfs/dbraw/zinc/11/22/82/646112282.db2.gz DNHLCBLMVPLRSH-DGCLKSJQSA-N 2 2 379.885 1.114 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1Cl ZINC000424337510 646173737 /nfs/dbraw/zinc/17/37/37/646173737.db2.gz SCLSQQHZOCIKDN-ZIAGYGMSSA-N 2 2 388.921 1.388 20 0 GDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781348 647163783 /nfs/dbraw/zinc/16/37/83/647163783.db2.gz PFRJJXUHSLLELX-VXGBXAGGSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781348 647163787 /nfs/dbraw/zinc/16/37/87/647163787.db2.gz PFRJJXUHSLLELX-VXGBXAGGSA-N 2 2 383.290 1.173 20 0 GDADLP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470333921 647723228 /nfs/dbraw/zinc/72/32/28/647723228.db2.gz QFCQDNFILKYGAQ-CYBMUJFWSA-N 2 2 393.123 1.950 20 0 GDADLP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470333921 647723234 /nfs/dbraw/zinc/72/32/34/647723234.db2.gz QFCQDNFILKYGAQ-CYBMUJFWSA-N 2 2 393.123 1.950 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2c(F)ccc(Br)c2F)CC1 ZINC000501482441 648139589 /nfs/dbraw/zinc/13/95/89/648139589.db2.gz UVQKOYPNNGJODU-UHFFFAOYSA-N 2 2 376.245 1.981 20 0 GDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCN3S(C)(=O)=O)sc2C1 ZINC000512983549 648418597 /nfs/dbraw/zinc/41/85/97/648418597.db2.gz TVEKFQAKJOTHGX-AWEZNQCLSA-N 2 2 386.587 1.813 20 0 GDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCCN3S(C)(=O)=O)sc2C1 ZINC000512983549 648418603 /nfs/dbraw/zinc/41/86/03/648418603.db2.gz TVEKFQAKJOTHGX-AWEZNQCLSA-N 2 2 386.587 1.813 20 0 GDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515383340 648493731 /nfs/dbraw/zinc/49/37/31/648493731.db2.gz CMAQCPZVXMNVCB-HZPDHXFCSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515383340 648493736 /nfs/dbraw/zinc/49/37/36/648493736.db2.gz CMAQCPZVXMNVCB-HZPDHXFCSA-N 2 2 387.318 1.625 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000631928789 653273176 /nfs/dbraw/zinc/27/31/76/653273176.db2.gz NMTMDUNESXYSDI-SJORKVTESA-N 2 2 386.949 1.603 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000631928789 653273182 /nfs/dbraw/zinc/27/31/82/653273182.db2.gz NMTMDUNESXYSDI-SJORKVTESA-N 2 2 386.949 1.603 20 0 GDADLP Cc1cc(Br)cn2c(CN3CN(CC[NH+](C)C)C(=O)[C@H]3C)c[nH+]c12 ZINC000648065834 653638234 /nfs/dbraw/zinc/63/82/34/653638234.db2.gz QDKIAYYFPKWIAR-CYBMUJFWSA-N 2 2 394.317 1.957 20 0 GDADLP CN(C(=O)c1c(Br)cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934513 653660679 /nfs/dbraw/zinc/66/06/79/653660679.db2.gz PPNCMFCFXLTQGF-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1c(Br)cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934513 653660681 /nfs/dbraw/zinc/66/06/81/653660681.db2.gz PPNCMFCFXLTQGF-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000801155009 654910710 /nfs/dbraw/zinc/91/07/10/654910710.db2.gz NWXXTTMXVQEVOS-AWEZNQCLSA-N 2 2 398.349 1.732 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000801155009 654910712 /nfs/dbraw/zinc/91/07/12/654910712.db2.gz NWXXTTMXVQEVOS-AWEZNQCLSA-N 2 2 398.349 1.732 20 0 GDADLP Cn1nnc(Br)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000810448185 655161411 /nfs/dbraw/zinc/16/14/11/655161411.db2.gz XKRHFSFEEPRTFZ-UHFFFAOYSA-N 2 2 399.337 1.258 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764639621 655220087 /nfs/dbraw/zinc/22/00/87/655220087.db2.gz QQGGKYCMHKJNCA-CYBMUJFWSA-N 2 2 389.543 1.157 20 0 GDADLP C[N@H+](CCn1cnc(Br)n1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851956786 655604419 /nfs/dbraw/zinc/60/44/19/655604419.db2.gz FYYXPROOHSDESU-QGZVFWFLSA-N 2 2 394.317 1.609 20 0 GDADLP C[N@@H+](CCn1cnc(Br)n1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851956786 655604422 /nfs/dbraw/zinc/60/44/22/655604422.db2.gz FYYXPROOHSDESU-QGZVFWFLSA-N 2 2 394.317 1.609 20 0 GDADLP C[NH+](CCn1cnc(Br)n1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851956786 655604424 /nfs/dbraw/zinc/60/44/24/655604424.db2.gz FYYXPROOHSDESU-QGZVFWFLSA-N 2 2 394.317 1.609 20 0 GDADLP C[NH+](CCn1cnc(Br)n1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851956786 655604425 /nfs/dbraw/zinc/60/44/25/655604425.db2.gz FYYXPROOHSDESU-QGZVFWFLSA-N 2 2 394.317 1.609 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000855416536 655693774 /nfs/dbraw/zinc/69/37/74/655693774.db2.gz NPBDCFLFIVGGED-UHFFFAOYSA-N 2 2 382.559 1.295 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CN1C(=S)N=NC1c1cccs1 ZINC000855416536 655693776 /nfs/dbraw/zinc/69/37/76/655693776.db2.gz NPBDCFLFIVGGED-UHFFFAOYSA-N 2 2 382.559 1.295 20 0 GDADLP COc1c(Br)cccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257095 656321795 /nfs/dbraw/zinc/32/17/95/656321795.db2.gz LAKKQPMCOACGGZ-YUELXQCFSA-N 2 2 396.285 1.825 20 0 GDADLP COc1c(Br)cccc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257095 656321798 /nfs/dbraw/zinc/32/17/98/656321798.db2.gz LAKKQPMCOACGGZ-YUELXQCFSA-N 2 2 396.285 1.825 20 0 GDADLP NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452696 656553623 /nfs/dbraw/zinc/55/36/23/656553623.db2.gz SXWYTZXXQXUGSV-HUUCEWRRSA-N 2 2 382.302 1.805 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000925080053 656693798 /nfs/dbraw/zinc/69/37/98/656693798.db2.gz KDGPZPJZKRAUNH-LSDHHAIUSA-N 2 2 383.334 1.901 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(Br)[nH]c3=O)CC2)CC1 ZINC000931216791 657080940 /nfs/dbraw/zinc/08/09/40/657080940.db2.gz KPQJAVVTDVZUJX-UHFFFAOYSA-N 2 2 397.317 1.838 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884179614 657332878 /nfs/dbraw/zinc/33/28/78/657332878.db2.gz VLMJEAVLXIYTAG-HOTGVXAUSA-N 2 2 382.302 1.772 20 0 GDADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)CC1 ZINC000884221148 657335809 /nfs/dbraw/zinc/33/58/09/657335809.db2.gz KTZFIDQTAPPAON-WBVHZDCISA-N 2 2 395.345 1.734 20 0 GDADLP C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000895794522 658729974 /nfs/dbraw/zinc/72/99/74/658729974.db2.gz KPBPZDYDWGRLBQ-MFKMUULPSA-N 2 2 376.425 1.592 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000903476043 659316181 /nfs/dbraw/zinc/31/61/81/659316181.db2.gz LOFHUTWFJJPDSJ-BNOWGMLFSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000903476043 659316187 /nfs/dbraw/zinc/31/61/87/659316187.db2.gz LOFHUTWFJJPDSJ-BNOWGMLFSA-N 2 2 384.249 1.955 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000903492630 659317952 /nfs/dbraw/zinc/31/79/52/659317952.db2.gz ICAACDYRXYTALK-VYHVBIQSSA-N 2 2 396.285 1.188 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000903492630 659317960 /nfs/dbraw/zinc/31/79/60/659317960.db2.gz ICAACDYRXYTALK-VYHVBIQSSA-N 2 2 396.285 1.188 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nscc1I ZINC000912388419 660034600 /nfs/dbraw/zinc/03/46/00/660034600.db2.gz WMENMJUBCVCJTM-UHFFFAOYSA-N 2 2 396.298 1.361 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nscc1I ZINC000912388419 660034603 /nfs/dbraw/zinc/03/46/03/660034603.db2.gz WMENMJUBCVCJTM-UHFFFAOYSA-N 2 2 396.298 1.361 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000913666021 660091429 /nfs/dbraw/zinc/09/14/29/660091429.db2.gz QQVUGNUUQXEHBV-LLVKDONJSA-N 2 2 381.691 1.893 20 0 GDADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2nccc(C3CC[NH2+]CC3)n2)CC1 ZINC001164918668 721817484 /nfs/dbraw/zinc/81/74/84/721817484.db2.gz RAGIRYPCRAQNMJ-UHFFFAOYSA-N 2 2 381.528 1.890 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@H]4C3)[nH+]2)CC1 ZINC001164958115 722047613 /nfs/dbraw/zinc/04/76/13/722047613.db2.gz LMTVXHNIKPTNCO-SJORKVTESA-N 2 2 381.480 1.777 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295453 946165314 /nfs/dbraw/zinc/16/53/14/946165314.db2.gz TWRUFSXWYHTPKN-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295453 946165316 /nfs/dbraw/zinc/16/53/16/946165316.db2.gz TWRUFSXWYHTPKN-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295453 946165317 /nfs/dbraw/zinc/16/53/17/946165317.db2.gz TWRUFSXWYHTPKN-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295453 946165324 /nfs/dbraw/zinc/16/53/24/946165324.db2.gz TWRUFSXWYHTPKN-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP CC(C)(C)C(=O)NCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824072730 946577521 /nfs/dbraw/zinc/57/75/21/946577521.db2.gz YVMXNMLRTCSFME-UHFFFAOYSA-N 2 2 385.516 1.583 20 0 GDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571317104 946598193 /nfs/dbraw/zinc/59/81/93/946598193.db2.gz VHKFYHYZGJCCLQ-NXHRZFHOSA-N 2 2 392.467 1.293 20 0 GDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571317104 946598202 /nfs/dbraw/zinc/59/82/02/946598202.db2.gz VHKFYHYZGJCCLQ-NXHRZFHOSA-N 2 2 392.467 1.293 20 0 GDADLP C[C@@H]1C[C@@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899463 946980460 /nfs/dbraw/zinc/98/04/60/946980460.db2.gz KCDRVSJZKLGVSD-CCKFTAQKSA-N 2 2 395.511 1.430 20 0 GDADLP C[NH+](C)CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1)C(C)(C)C ZINC000825860005 947349238 /nfs/dbraw/zinc/34/92/38/947349238.db2.gz JZPMWUWENWGCIF-INIZCTEOSA-N 2 2 394.545 1.596 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001573755408 948764643 /nfs/dbraw/zinc/76/46/43/948764643.db2.gz DGLRCNZRJWRFJQ-XQQFMLRXSA-N 2 2 389.891 1.731 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001573755408 948764652 /nfs/dbraw/zinc/76/46/52/948764652.db2.gz DGLRCNZRJWRFJQ-XQQFMLRXSA-N 2 2 389.891 1.731 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433636 948961143 /nfs/dbraw/zinc/96/11/43/948961143.db2.gz ZNGUVXOYBOVNCX-CYBMUJFWSA-N 2 2 383.460 1.223 20 0 GDADLP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCC1 ZINC001573780402 949096825 /nfs/dbraw/zinc/09/68/25/949096825.db2.gz YGUYVZMNJAOGBW-ZDUSSCGKSA-N 2 2 389.529 1.493 20 0 GDADLP CC(C)(C(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCC1 ZINC001573780402 949096848 /nfs/dbraw/zinc/09/68/48/949096848.db2.gz YGUYVZMNJAOGBW-ZDUSSCGKSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574695055 949101860 /nfs/dbraw/zinc/10/18/60/949101860.db2.gz YYZMOVTZDSCTCJ-ZDUSSCGKSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574483524 949824733 /nfs/dbraw/zinc/82/47/33/949824733.db2.gz BHLQCWNYQSDRFH-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285218 949935162 /nfs/dbraw/zinc/93/51/62/949935162.db2.gz LUWXLQCPKRETDB-LSDHHAIUSA-N 2 2 386.504 1.323 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285218 949935173 /nfs/dbraw/zinc/93/51/73/949935173.db2.gz LUWXLQCPKRETDB-LSDHHAIUSA-N 2 2 386.504 1.323 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205429 950520463 /nfs/dbraw/zinc/52/04/63/950520463.db2.gz IWJLFQIQQWNFSY-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205429 950520478 /nfs/dbraw/zinc/52/04/78/950520478.db2.gz IWJLFQIQQWNFSY-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205429 950520494 /nfs/dbraw/zinc/52/04/94/950520494.db2.gz IWJLFQIQQWNFSY-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205429 950520512 /nfs/dbraw/zinc/52/05/12/950520512.db2.gz IWJLFQIQQWNFSY-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574523867 950833539 /nfs/dbraw/zinc/83/35/39/950833539.db2.gz RMOLWQDCHNPASM-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574524509 950861830 /nfs/dbraw/zinc/86/18/30/950861830.db2.gz XOXOEPPATVUMKW-KGLIPLIRSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088694 951741162 /nfs/dbraw/zinc/74/11/62/951741162.db2.gz AVEPEDMNDAHDRR-ZDUSSCGKSA-N 2 2 386.435 1.135 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001575096051 951816558 /nfs/dbraw/zinc/81/65/58/951816558.db2.gz YPWWNJWEVIIGSX-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105456 951893119 /nfs/dbraw/zinc/89/31/19/951893119.db2.gz JYRWKSVACVEHHQ-CABCVRRESA-N 2 2 382.472 1.556 20 0 GDADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001571170554 952786802 /nfs/dbraw/zinc/78/68/02/952786802.db2.gz WKNPRIUHISKOIH-MRXNPFEDSA-N 2 2 380.456 1.255 20 0 GDADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)C[C@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001571170554 952786811 /nfs/dbraw/zinc/78/68/11/952786811.db2.gz WKNPRIUHISKOIH-MRXNPFEDSA-N 2 2 380.456 1.255 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235219 953210787 /nfs/dbraw/zinc/21/07/87/953210787.db2.gz XKYNUMIMVSARGD-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235219 953210789 /nfs/dbraw/zinc/21/07/89/953210789.db2.gz XKYNUMIMVSARGD-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235219 953210790 /nfs/dbraw/zinc/21/07/90/953210790.db2.gz XKYNUMIMVSARGD-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235219 953210791 /nfs/dbraw/zinc/21/07/91/953210791.db2.gz XKYNUMIMVSARGD-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167071386 530583659 /nfs/dbraw/zinc/58/36/59/530583659.db2.gz OVTLLAIEFIBIJD-ZWKOTPCHSA-N 2 2 375.579 1.622 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167071386 530583660 /nfs/dbraw/zinc/58/36/60/530583660.db2.gz OVTLLAIEFIBIJD-ZWKOTPCHSA-N 2 2 375.579 1.622 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]C2(c3ccc(Br)cc3)CCOCC2)CC1 ZINC000180559460 530767820 /nfs/dbraw/zinc/76/78/20/530767820.db2.gz STVLJFREISFSQC-UHFFFAOYSA-N 2 2 396.329 1.818 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000261620884 531094248 /nfs/dbraw/zinc/09/42/48/531094248.db2.gz AVFXBEGHSJRBKT-GOSISDBHSA-N 2 2 396.329 1.946 20 0 GDADLP CC[NH+](CC)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccsc1 ZINC000262361150 531117858 /nfs/dbraw/zinc/11/78/58/531117858.db2.gz KKFGLRHJGSBVIH-HNNXBMFYSA-N 2 2 387.571 1.414 20 0 GDADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007970 531393257 /nfs/dbraw/zinc/39/32/57/531393257.db2.gz PWFOATYCNWVCAG-GOEBONIOSA-N 2 2 375.922 1.355 20 0 GDADLP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007970 531393261 /nfs/dbraw/zinc/39/32/61/531393261.db2.gz PWFOATYCNWVCAG-GOEBONIOSA-N 2 2 375.922 1.355 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662453605 531679037 /nfs/dbraw/zinc/67/90/37/531679037.db2.gz UYZDAWDTCRKURC-INIZCTEOSA-N 2 2 397.317 1.118 20 0 GDADLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639175306 531683875 /nfs/dbraw/zinc/68/38/75/531683875.db2.gz MBBIWDGQZDVOES-UHFFFAOYSA-N 2 2 387.303 1.815 20 0 GDADLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639175306 531683885 /nfs/dbraw/zinc/68/38/85/531683885.db2.gz MBBIWDGQZDVOES-UHFFFAOYSA-N 2 2 387.303 1.815 20 0 GDADLP Cc1nn(C)c(NC(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c1Br ZINC000640165875 531725626 /nfs/dbraw/zinc/72/56/26/531725626.db2.gz SEKFCFLQIBJBAS-UHFFFAOYSA-N 2 2 387.326 1.639 20 0 GDADLP CO[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@@H](C[NH3+])C1 ZINC000417214338 531760574 /nfs/dbraw/zinc/76/05/74/531760574.db2.gz GTMSKSHXZXZQNV-KGLIPLIRSA-N 2 2 396.289 1.745 20 0 GDADLP CCC[N@@H+](C)CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456598581 531922791 /nfs/dbraw/zinc/92/27/91/531922791.db2.gz VPEBOQUNCVFQKV-UHFFFAOYSA-N 2 2 384.322 1.876 20 0 GDADLP CN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@H](C[NH3+])C1CC1 ZINC000573902768 531992245 /nfs/dbraw/zinc/99/22/45/531992245.db2.gz GYBVEEKXIVEQSN-CQSZACIVSA-N 2 2 398.305 1.882 20 0 GDADLP C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576849126 532029587 /nfs/dbraw/zinc/02/95/87/532029587.db2.gz LOTVCJFJCGKECO-DGCLKSJQSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576849126 532029595 /nfs/dbraw/zinc/02/95/95/532029595.db2.gz LOTVCJFJCGKECO-DGCLKSJQSA-N 2 2 387.297 1.804 20 0 GDADLP O=C(NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422879519 532068230 /nfs/dbraw/zinc/06/82/30/532068230.db2.gz MGUWZBXGNGLERN-DLBZAZTESA-N 2 2 396.329 1.926 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428036005 532196262 /nfs/dbraw/zinc/19/62/62/532196262.db2.gz QMDKIQYCGMZUQB-WMLDXEAASA-N 2 2 396.329 1.970 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428036005 532196264 /nfs/dbraw/zinc/19/62/64/532196264.db2.gz QMDKIQYCGMZUQB-WMLDXEAASA-N 2 2 396.329 1.970 20 0 GDADLP C[C@@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430693493 532254840 /nfs/dbraw/zinc/25/48/40/532254840.db2.gz HASYBEWAXXNXIS-LLVKDONJSA-N 2 2 376.320 1.843 20 0 GDADLP NC(=O)c1cccnc1N1CC[NH+](C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000065404879 136163910 /nfs/dbraw/zinc/16/39/10/136163910.db2.gz NPAQNDLRZPPLLG-UHFFFAOYSA-N 2 2 379.508 1.967 20 0 GDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000736886318 598340912 /nfs/dbraw/zinc/34/09/12/598340912.db2.gz HOZDSRXLRRFOHH-AWEZNQCLSA-N 2 2 383.435 1.596 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852901 598743454 /nfs/dbraw/zinc/74/34/54/598743454.db2.gz SDYBEOZEEIRHCU-LKGOPFMKSA-N 2 2 395.511 1.507 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852901 598743455 /nfs/dbraw/zinc/74/34/55/598743455.db2.gz SDYBEOZEEIRHCU-LKGOPFMKSA-N 2 2 395.511 1.507 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCCCC[NH+]3CCOCC3)c2c1 ZINC000822195608 599481148 /nfs/dbraw/zinc/48/11/48/599481148.db2.gz YHUPJUBVQJLFSN-UHFFFAOYSA-N 2 2 381.484 1.978 20 0 GDADLP C[C@H](O)C[NH+]1CCC(CN(C)c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820479953 599532619 /nfs/dbraw/zinc/53/26/19/599532619.db2.gz DJGDQPVVTHWXMS-AWEZNQCLSA-N 2 2 381.484 1.944 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCn2cc[nH+]c2C1 ZINC000825866318 607471086 /nfs/dbraw/zinc/47/10/86/607471086.db2.gz VMWUHJCNLFZDKU-QGZVFWFLSA-N 2 2 394.483 1.216 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000826169334 608357118 /nfs/dbraw/zinc/35/71/18/608357118.db2.gz PILZHOQQLWQLHA-IRXDYDNUSA-N 2 2 399.543 1.866 20 0 GDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568590 608483469 /nfs/dbraw/zinc/48/34/69/608483469.db2.gz AXMZOQWZEARKFY-FOIQADDNSA-N 2 2 378.480 1.937 20 0 GDADLP C[C@@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568590 608483470 /nfs/dbraw/zinc/48/34/70/608483470.db2.gz AXMZOQWZEARKFY-FOIQADDNSA-N 2 2 378.480 1.937 20 0 GDADLP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000826517781 608513252 /nfs/dbraw/zinc/51/32/52/608513252.db2.gz OIUXCTCQTAMVGX-UYAOXDASSA-N 2 2 397.527 1.240 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547125 609144198 /nfs/dbraw/zinc/14/41/98/609144198.db2.gz MSLMHJFUFJAVGY-GDBMZVCRSA-N 2 2 389.479 1.063 20 0 GDADLP CCc1n[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000366056263 645585237 /nfs/dbraw/zinc/58/52/37/645585237.db2.gz QYMWEUYTPLOKOS-NSHDSACASA-N 2 2 384.322 1.633 20 0 GDADLP CCc1n[nH]c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000366056263 645585239 /nfs/dbraw/zinc/58/52/39/645585239.db2.gz QYMWEUYTPLOKOS-NSHDSACASA-N 2 2 384.322 1.633 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@H](CCO)c2ccccc2Br)CC1 ZINC000514232550 648451116 /nfs/dbraw/zinc/45/11/16/648451116.db2.gz MXQABQRHJQGCEP-MRXNPFEDSA-N 2 2 384.318 1.626 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664671 648532236 /nfs/dbraw/zinc/53/22/36/648532236.db2.gz PETSKRSRQWATDT-HZPDHXFCSA-N 2 2 390.285 1.379 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664671 648532240 /nfs/dbraw/zinc/53/22/40/648532240.db2.gz PETSKRSRQWATDT-HZPDHXFCSA-N 2 2 390.285 1.379 20 0 GDADLP Cn1ncc(Br)c1C[NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000631210685 653231381 /nfs/dbraw/zinc/23/13/81/653231381.db2.gz YKJWYQAMESINNB-UHFFFAOYSA-N 2 2 380.294 1.014 20 0 GDADLP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638594582 653540931 /nfs/dbraw/zinc/54/09/31/653540931.db2.gz JQPFFOCDOIOPAP-DZGCQCFKSA-N 2 2 375.560 1.622 20 0 GDADLP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638594582 653540934 /nfs/dbraw/zinc/54/09/34/653540934.db2.gz JQPFFOCDOIOPAP-DZGCQCFKSA-N 2 2 375.560 1.622 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000647834845 653635768 /nfs/dbraw/zinc/63/57/68/653635768.db2.gz BKBYCFKNMDVBKL-UHFFFAOYSA-N 2 2 391.260 1.503 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000647834845 653635772 /nfs/dbraw/zinc/63/57/72/653635772.db2.gz BKBYCFKNMDVBKL-UHFFFAOYSA-N 2 2 391.260 1.503 20 0 GDADLP CN(C(=O)c1cc[nH]c(=O)c1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683619938 654780387 /nfs/dbraw/zinc/78/03/87/654780387.db2.gz JEIHPCBZXTVQAV-ZDUSSCGKSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1cc[nH]c(=O)c1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683619938 654780391 /nfs/dbraw/zinc/78/03/91/654780391.db2.gz JEIHPCBZXTVQAV-ZDUSSCGKSA-N 2 2 397.317 1.790 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000684553388 654798948 /nfs/dbraw/zinc/79/89/48/654798948.db2.gz PHAMXNBMLRKXDY-GDBMZVCRSA-N 2 2 383.334 1.901 20 0 GDADLP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963875 655363100 /nfs/dbraw/zinc/36/31/00/655363100.db2.gz WQQDIMFKNUGMAH-DZGCQCFKSA-N 2 2 391.559 1.580 20 0 GDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842476925 655366626 /nfs/dbraw/zinc/36/66/26/655366626.db2.gz XEDFAVPEECYFSB-ZDUSSCGKSA-N 2 2 375.441 1.599 20 0 GDADLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000878574476 656734414 /nfs/dbraw/zinc/73/44/14/656734414.db2.gz PQJAYGISGZJSDD-UHFFFAOYSA-N 2 2 395.345 1.782 20 0 GDADLP CC[NH+]1CCC([N@H+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929781328 656984485 /nfs/dbraw/zinc/98/44/85/656984485.db2.gz VUVPAECCJXFCLB-INIZCTEOSA-N 2 2 375.579 1.404 20 0 GDADLP CC[NH+]1CCC([N@@H+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929781328 656984491 /nfs/dbraw/zinc/98/44/91/656984491.db2.gz VUVPAECCJXFCLB-INIZCTEOSA-N 2 2 375.579 1.404 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000884211465 657334941 /nfs/dbraw/zinc/33/49/41/657334941.db2.gz FCCRMXRAQOHEPZ-JYJNAYRXSA-N 2 2 382.302 1.507 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884218299 657335880 /nfs/dbraw/zinc/33/58/80/657335880.db2.gz KNYWLUBDWOGZEJ-INIZCTEOSA-N 2 2 397.317 1.118 20 0 GDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234237 657338467 /nfs/dbraw/zinc/33/84/67/657338467.db2.gz MRNGHTOUVLNEIB-KRWDZBQOSA-N 2 2 397.361 1.983 20 0 GDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234237 657338473 /nfs/dbraw/zinc/33/84/73/657338473.db2.gz MRNGHTOUVLNEIB-KRWDZBQOSA-N 2 2 397.361 1.983 20 0 GDADLP CN(C(=O)c1cn(C)nc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896990069 658817052 /nfs/dbraw/zinc/81/70/52/658817052.db2.gz ZEHXKPDNAQTGFD-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cn(C)nc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896990069 658817063 /nfs/dbraw/zinc/81/70/63/658817063.db2.gz ZEHXKPDNAQTGFD-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255321 658999370 /nfs/dbraw/zinc/99/93/70/658999370.db2.gz RZCAGBNCOIGURI-MRAWALMUSA-N 2 2 392.297 1.965 20 0 GDADLP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255321 658999372 /nfs/dbraw/zinc/99/93/72/658999372.db2.gz RZCAGBNCOIGURI-MRAWALMUSA-N 2 2 392.297 1.965 20 0 GDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255321 658999373 /nfs/dbraw/zinc/99/93/73/658999373.db2.gz RZCAGBNCOIGURI-MRAWALMUSA-N 2 2 392.297 1.965 20 0 GDADLP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255321 658999375 /nfs/dbraw/zinc/99/93/75/658999375.db2.gz RZCAGBNCOIGURI-MRAWALMUSA-N 2 2 392.297 1.965 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(F)(F)c1ncccc1Br ZINC000912387708 660034618 /nfs/dbraw/zinc/03/46/18/660034618.db2.gz SLLUAAMQOUJKNN-UHFFFAOYSA-N 2 2 393.276 1.936 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(F)(F)c1ncccc1Br ZINC000912387708 660034622 /nfs/dbraw/zinc/03/46/22/660034622.db2.gz SLLUAAMQOUJKNN-UHFFFAOYSA-N 2 2 393.276 1.936 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)c2)CC1 ZINC000913666022 660091393 /nfs/dbraw/zinc/09/13/93/660091393.db2.gz QQVUGNUUQXEHBV-NSHDSACASA-N 2 2 381.691 1.893 20 0 GDADLP [NH3+][C@]12C[C@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164418458 718887541 /nfs/dbraw/zinc/88/75/41/718887541.db2.gz NWFHFQWHSSFNFO-AVRDEDQJSA-N 2 2 377.492 1.577 20 0 GDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1[nH+]ccc3[nH]ccc31)CC2 ZINC001164703544 719933051 /nfs/dbraw/zinc/93/30/51/719933051.db2.gz KHJMWNOZQFRIRP-UHFFFAOYSA-N 2 2 379.468 1.247 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164764042 721160610 /nfs/dbraw/zinc/16/06/10/721160610.db2.gz GQUMFGFICVVMBQ-PMACEKPBSA-N 3 2 395.555 1.525 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164764042 721160620 /nfs/dbraw/zinc/16/06/20/721160620.db2.gz GQUMFGFICVVMBQ-PMACEKPBSA-N 3 2 395.555 1.525 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@]4(CC(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164898670 721482574 /nfs/dbraw/zinc/48/25/74/721482574.db2.gz WVAUPVIMEXXHFI-AVRDEDQJSA-N 2 2 399.539 1.203 20 0 GDADLP C[NH+](C)CCOCc1ncn2c1CN(c1ccc(N3CC[NH2+]CC3)c[nH+]1)CCC2 ZINC001165002295 722255106 /nfs/dbraw/zinc/25/51/06/722255106.db2.gz NDCIALQXRHYHBP-UHFFFAOYSA-N 3 2 399.543 1.176 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821189381 945649054 /nfs/dbraw/zinc/64/90/54/945649054.db2.gz LDJQVYQSXONMGW-CYBMUJFWSA-N 2 2 393.517 1.299 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821189381 945649060 /nfs/dbraw/zinc/64/90/60/945649060.db2.gz LDJQVYQSXONMGW-CYBMUJFWSA-N 2 2 393.517 1.299 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821188878 945649796 /nfs/dbraw/zinc/64/97/96/945649796.db2.gz DSUPLDILDJCQGG-QGZVFWFLSA-N 2 2 387.488 1.238 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821188878 945649801 /nfs/dbraw/zinc/64/98/01/945649801.db2.gz DSUPLDILDJCQGG-QGZVFWFLSA-N 2 2 387.488 1.238 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272117 945655397 /nfs/dbraw/zinc/65/53/97/945655397.db2.gz PRWLWMHUKICJSV-LBPRGKRZSA-N 2 2 386.485 1.222 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282966 945868628 /nfs/dbraw/zinc/86/86/28/945868628.db2.gz WSFNOFHYBASKET-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282966 945868639 /nfs/dbraw/zinc/86/86/39/945868639.db2.gz WSFNOFHYBASKET-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282966 945868649 /nfs/dbraw/zinc/86/86/49/945868649.db2.gz WSFNOFHYBASKET-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282966 945868667 /nfs/dbraw/zinc/86/86/67/945868667.db2.gz WSFNOFHYBASKET-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571317160 946601558 /nfs/dbraw/zinc/60/15/58/946601558.db2.gz WUHOQYMQFWMFLL-PXNSSMCTSA-N 2 2 392.467 1.234 20 0 GDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CN1CCOCC1 ZINC000824429468 946706604 /nfs/dbraw/zinc/70/66/04/946706604.db2.gz XNZDBFOZBZVTTM-QGZVFWFLSA-N 2 2 399.543 1.389 20 0 GDADLP COCC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159312 947502100 /nfs/dbraw/zinc/50/21/00/947502100.db2.gz AWXVLYBAPAAVRZ-IBGZPJMESA-N 2 2 385.516 1.141 20 0 GDADLP COCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159312 947502107 /nfs/dbraw/zinc/50/21/07/947502107.db2.gz AWXVLYBAPAAVRZ-IBGZPJMESA-N 2 2 385.516 1.141 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918830 948859317 /nfs/dbraw/zinc/85/93/17/948859317.db2.gz RGTSBZJYHNNMEE-ZDUSSCGKSA-N 2 2 386.435 1.277 20 0 GDADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574725051 949889957 /nfs/dbraw/zinc/88/99/57/949889957.db2.gz OFYAFKBNSOXGLW-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575285996 949969291 /nfs/dbraw/zinc/96/92/91/949969291.db2.gz SFGHNKBEBVNFFW-ZDUSSCGKSA-N 2 2 387.463 1.038 20 0 GDADLP CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574153259 950133781 /nfs/dbraw/zinc/13/37/81/950133781.db2.gz QMVQKUGODWQKRG-QGZVFWFLSA-N 2 2 382.472 1.384 20 0 GDADLP C[C@@H](CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574493894 950142221 /nfs/dbraw/zinc/14/22/21/950142221.db2.gz VDZHMQUXHPNERI-SCLBCKFNSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001575902016 950248667 /nfs/dbraw/zinc/24/86/67/950248667.db2.gz RNAFQXQVBKGJIR-NHYWBVRUSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501481 950338383 /nfs/dbraw/zinc/33/83/83/950338383.db2.gz DRMXZHBVCXHTAW-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501481 950338405 /nfs/dbraw/zinc/33/84/05/950338405.db2.gz DRMXZHBVCXHTAW-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206632 950576768 /nfs/dbraw/zinc/57/67/68/950576768.db2.gz YLONIRSNWWTGCU-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206632 950576780 /nfs/dbraw/zinc/57/67/80/950576780.db2.gz YLONIRSNWWTGCU-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206632 950576800 /nfs/dbraw/zinc/57/68/00/950576800.db2.gz YLONIRSNWWTGCU-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206632 950576820 /nfs/dbraw/zinc/57/68/20/950576820.db2.gz YLONIRSNWWTGCU-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574520963 950760132 /nfs/dbraw/zinc/76/01/32/950760132.db2.gz BRFYSXCUWMFEOW-LSDHHAIUSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574522853 950801053 /nfs/dbraw/zinc/80/10/53/950801053.db2.gz LJSCIBDIMSDRDI-STQMWFEESA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574522849 950802686 /nfs/dbraw/zinc/80/26/86/950802686.db2.gz LJSCIBDIMSDRDI-OLZOCXBDSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574522851 950805007 /nfs/dbraw/zinc/80/50/07/950805007.db2.gz LJSCIBDIMSDRDI-QWHCGFSZSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001575105613 951895592 /nfs/dbraw/zinc/89/55/92/951895592.db2.gz LLUKIAJVHCEYMX-LJQANCHMSA-N 2 2 380.456 1.207 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202259 952511819 /nfs/dbraw/zinc/51/18/19/952511819.db2.gz UZXQCGVENKTPCB-DAXOMENPSA-N 2 2 380.456 1.205 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001571170499 952786836 /nfs/dbraw/zinc/78/68/36/952786836.db2.gz VLMYUISABVBECL-KRWDZBQOSA-N 2 2 380.456 1.186 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001571170499 952786845 /nfs/dbraw/zinc/78/68/45/952786845.db2.gz VLMYUISABVBECL-KRWDZBQOSA-N 2 2 380.456 1.186 20 0 GDADLP C[C@H](CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571184302 952890623 /nfs/dbraw/zinc/89/06/23/952890623.db2.gz VWBWVHGVOUXIQU-KGLIPLIRSA-N 2 2 381.444 1.147 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191307 952945317 /nfs/dbraw/zinc/94/53/17/952945317.db2.gz PPGJIUVEFYYLBN-UBDQQSCGSA-N 2 2 381.484 1.182 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191307 952945319 /nfs/dbraw/zinc/94/53/19/952945319.db2.gz PPGJIUVEFYYLBN-UBDQQSCGSA-N 2 2 381.484 1.182 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191307 952945322 /nfs/dbraw/zinc/94/53/22/952945322.db2.gz PPGJIUVEFYYLBN-UBDQQSCGSA-N 2 2 381.484 1.182 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191307 952945326 /nfs/dbraw/zinc/94/53/26/952945326.db2.gz PPGJIUVEFYYLBN-UBDQQSCGSA-N 2 2 381.484 1.182 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235169 953209269 /nfs/dbraw/zinc/20/92/69/953209269.db2.gz VVTMBTDGUQQJBY-MSOLQXFVSA-N 2 2 383.500 1.432 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235169 953209271 /nfs/dbraw/zinc/20/92/71/953209271.db2.gz VVTMBTDGUQQJBY-MSOLQXFVSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235169 953209274 /nfs/dbraw/zinc/20/92/74/953209274.db2.gz VVTMBTDGUQQJBY-MSOLQXFVSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235169 953209276 /nfs/dbraw/zinc/20/92/76/953209276.db2.gz VVTMBTDGUQQJBY-MSOLQXFVSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cnn3cc(Br)cnc23)CC1 ZINC000179722512 530748578 /nfs/dbraw/zinc/74/85/78/530748578.db2.gz KGNDURKAJKPSLM-UHFFFAOYSA-N 2 2 395.305 1.248 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)c1cccs1 ZINC000181533318 530785590 /nfs/dbraw/zinc/78/55/90/530785590.db2.gz RFHIXFSYXVGIRS-UHFFFAOYSA-N 2 2 380.539 1.676 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000182959086 530807751 /nfs/dbraw/zinc/80/77/51/530807751.db2.gz IPRCAWRPXNSHBB-UHFFFAOYSA-N 2 2 375.485 1.752 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000182959086 530807754 /nfs/dbraw/zinc/80/77/54/530807754.db2.gz IPRCAWRPXNSHBB-UHFFFAOYSA-N 2 2 375.485 1.752 20 0 GDADLP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000261977727 531104055 /nfs/dbraw/zinc/10/40/55/531104055.db2.gz GUXIQZAYEBUJGJ-UHFFFAOYSA-N 2 2 388.921 1.247 20 0 GDADLP O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000433195216 531217565 /nfs/dbraw/zinc/21/75/65/531217565.db2.gz RWSOMBBTJBTMGZ-QGZVFWFLSA-N 2 2 383.583 1.582 20 0 GDADLP O=C(C[N@H+](CCO)[C@@H]1CCCSC1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000433195216 531217568 /nfs/dbraw/zinc/21/75/68/531217568.db2.gz RWSOMBBTJBTMGZ-QGZVFWFLSA-N 2 2 383.583 1.582 20 0 GDADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007969 531393355 /nfs/dbraw/zinc/39/33/55/531393355.db2.gz PWFOATYCNWVCAG-GDBMZVCRSA-N 2 2 375.922 1.355 20 0 GDADLP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007969 531393359 /nfs/dbraw/zinc/39/33/59/531393359.db2.gz PWFOATYCNWVCAG-GDBMZVCRSA-N 2 2 375.922 1.355 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000486037741 531444382 /nfs/dbraw/zinc/44/43/82/531444382.db2.gz SKVBYMYBKMUOJA-CYBMUJFWSA-N 2 2 396.285 1.574 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc3c(cc2Br)OCO3)C1 ZINC000486037741 531444385 /nfs/dbraw/zinc/44/43/85/531444385.db2.gz SKVBYMYBKMUOJA-CYBMUJFWSA-N 2 2 396.285 1.574 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583332985 531571056 /nfs/dbraw/zinc/57/10/56/531571056.db2.gz BBJBYVFJRWFXAN-KCPJHIHWSA-N 2 2 383.279 1.343 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181777 531648107 /nfs/dbraw/zinc/64/81/07/531648107.db2.gz OCNHIMQPDMADGR-KBMXLJTQSA-N 2 2 387.933 1.671 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181777 531648110 /nfs/dbraw/zinc/64/81/10/531648110.db2.gz OCNHIMQPDMADGR-KBMXLJTQSA-N 2 2 387.933 1.671 20 0 GDADLP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662449758 531679833 /nfs/dbraw/zinc/67/98/33/531679833.db2.gz SXZGIKLUMUBTRA-SNVBAGLBSA-N 2 2 387.347 1.480 20 0 GDADLP CN(C)C(=O)CC[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662501996 531683034 /nfs/dbraw/zinc/68/30/34/531683034.db2.gz QPIYHCUHFQTKMX-INIZCTEOSA-N 2 2 397.317 1.071 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417214075 531760656 /nfs/dbraw/zinc/76/06/56/531760656.db2.gz GQOPNRHJUKDASW-RYUDHWBXSA-N 2 2 378.274 1.848 20 0 GDADLP [NH3+]C[C@@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000667671774 531783396 /nfs/dbraw/zinc/78/33/96/531783396.db2.gz KMDMLUSJLBXFOR-NEPJUHHUSA-N 2 2 398.305 1.930 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@H]1CCC[NH2+]CC1 ZINC000667671798 531784015 /nfs/dbraw/zinc/78/40/15/531784015.db2.gz TYCUSVNDSWSDKN-LBPRGKRZSA-N 2 2 398.305 1.944 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)c[nH]c1=O ZINC000623018642 531791115 /nfs/dbraw/zinc/79/11/15/531791115.db2.gz QFJHFZUMKOWFNV-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(Br)c[nH]c1=O ZINC000623018642 531791120 /nfs/dbraw/zinc/79/11/20/531791120.db2.gz QFJHFZUMKOWFNV-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP C[NH2+][C@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000418027313 531799828 /nfs/dbraw/zinc/79/98/28/531799828.db2.gz XBGDAKOQCGUIHD-ZDUSSCGKSA-N 2 2 380.290 1.951 20 0 GDADLP O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647885005 531900968 /nfs/dbraw/zinc/90/09/68/531900968.db2.gz WOIHFFTYWQAVSR-CQSZACIVSA-N 2 2 382.302 1.582 20 0 GDADLP COc1cc(Br)ccc1CCCNC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000568730794 531914924 /nfs/dbraw/zinc/91/49/24/531914924.db2.gz LWZSJTJYNOJWJH-HNNXBMFYSA-N 2 2 399.333 1.675 20 0 GDADLP COc1cc(Br)ccc1CCCNC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000568730794 531914932 /nfs/dbraw/zinc/91/49/32/531914932.db2.gz LWZSJTJYNOJWJH-HNNXBMFYSA-N 2 2 399.333 1.675 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCCNS(=O)(=O)c2ccccc2Cl)n1C ZINC000419732193 531963146 /nfs/dbraw/zinc/96/31/46/531963146.db2.gz SBFJPBYZLJMTKT-UHFFFAOYSA-N 2 2 385.921 1.598 20 0 GDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2c(Br)cnn2C)C1=O ZINC000573897626 531992754 /nfs/dbraw/zinc/99/27/54/531992754.db2.gz WKXVMPISUBBLEH-GFCCVEGCSA-N 2 2 381.278 1.197 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000576272106 532020247 /nfs/dbraw/zinc/02/02/47/532020247.db2.gz QXLFVTDGHMPHSW-SCRDCRAPSA-N 2 2 378.300 1.827 20 0 GDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000576272106 532020253 /nfs/dbraw/zinc/02/02/53/532020253.db2.gz QXLFVTDGHMPHSW-SCRDCRAPSA-N 2 2 378.300 1.827 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@@H]1[NH3+] ZINC000430972028 532257986 /nfs/dbraw/zinc/25/79/86/532257986.db2.gz RASPKKUXFPPCHJ-DOMZBBRYSA-N 2 2 386.327 1.706 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@@H]1[NH3+] ZINC000430972028 532257991 /nfs/dbraw/zinc/25/79/91/532257991.db2.gz RASPKKUXFPPCHJ-DOMZBBRYSA-N 2 2 386.327 1.706 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000390927759 532297661 /nfs/dbraw/zinc/29/76/61/532297661.db2.gz KFYCZOMMGFQFSO-UHFFFAOYSA-N 2 2 380.290 1.836 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cccc(Br)c2)no1 ZINC000390927759 532297663 /nfs/dbraw/zinc/29/76/63/532297663.db2.gz KFYCZOMMGFQFSO-UHFFFAOYSA-N 2 2 380.290 1.836 20 0 GDADLP CCO[C@@H]1C[N@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000405384173 532306784 /nfs/dbraw/zinc/30/67/84/532306784.db2.gz OVFCQKSIJBOANX-GDBMZVCRSA-N 2 2 384.318 1.703 20 0 GDADLP CCO[C@@H]1C[N@@H+](CC(=O)N(C)Cc2ccccc2Br)C[C@H]1C[NH3+] ZINC000405384173 532306786 /nfs/dbraw/zinc/30/67/86/532306786.db2.gz OVFCQKSIJBOANX-GDBMZVCRSA-N 2 2 384.318 1.703 20 0 GDADLP Cc1cc(Br)cn2c(C[NH2+]CCS(=O)(=O)N(C)C)c[nH+]c12 ZINC000289446128 532324369 /nfs/dbraw/zinc/32/43/69/532324369.db2.gz BFKAMKPIQVZODC-UHFFFAOYSA-N 2 2 375.292 1.386 20 0 GDADLP Cc1cccc2c(NC[C@@H](C(C)C)[NH+]3CCOCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407470 599121260 /nfs/dbraw/zinc/12/12/60/599121260.db2.gz BQJUJNBEGTVHAZ-KRWDZBQOSA-N 2 2 381.484 1.914 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737498066 598355959 /nfs/dbraw/zinc/35/59/59/598355959.db2.gz CQZWPQATTCNFSY-KRWDZBQOSA-N 2 2 380.456 1.325 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737498066 598355961 /nfs/dbraw/zinc/35/59/61/598355961.db2.gz CQZWPQATTCNFSY-KRWDZBQOSA-N 2 2 380.456 1.325 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652970 598527203 /nfs/dbraw/zinc/52/72/03/598527203.db2.gz ZRMLWSIZZDFSER-QWHCGFSZSA-N 2 2 396.503 1.204 20 0 GDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883441 599316000 /nfs/dbraw/zinc/31/60/00/599316000.db2.gz YDVSCWPAJVRPFK-PXNSSMCTSA-N 2 2 399.543 1.655 20 0 GDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883441 599316004 /nfs/dbraw/zinc/31/60/04/599316004.db2.gz YDVSCWPAJVRPFK-PXNSSMCTSA-N 2 2 399.543 1.655 20 0 GDADLP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H](c2ccccc2)C1 ZINC000821627310 599403754 /nfs/dbraw/zinc/40/37/54/599403754.db2.gz WPPSIJAGJCPEMU-GOSISDBHSA-N 2 2 381.484 1.928 20 0 GDADLP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@@H](c2ccccc2)C1 ZINC000821627310 599403757 /nfs/dbraw/zinc/40/37/57/599403757.db2.gz WPPSIJAGJCPEMU-GOSISDBHSA-N 2 2 381.484 1.928 20 0 GDADLP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000825395297 607471273 /nfs/dbraw/zinc/47/12/73/607471273.db2.gz NPQSNFCWECBJMS-UHFFFAOYSA-N 2 2 383.500 1.385 20 0 GDADLP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000825395297 607471276 /nfs/dbraw/zinc/47/12/76/607471276.db2.gz NPQSNFCWECBJMS-UHFFFAOYSA-N 2 2 383.500 1.385 20 0 GDADLP CC[NH+](CC(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000825395297 607471277 /nfs/dbraw/zinc/47/12/77/607471277.db2.gz NPQSNFCWECBJMS-UHFFFAOYSA-N 2 2 383.500 1.385 20 0 GDADLP CC[NH+](CC(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000825395297 607471278 /nfs/dbraw/zinc/47/12/78/607471278.db2.gz NPQSNFCWECBJMS-UHFFFAOYSA-N 2 2 383.500 1.385 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000826183435 607527942 /nfs/dbraw/zinc/52/79/42/607527942.db2.gz PDPMTXCBVKJIDP-GOSISDBHSA-N 2 2 385.516 1.477 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000826183435 607527944 /nfs/dbraw/zinc/52/79/44/607527944.db2.gz PDPMTXCBVKJIDP-GOSISDBHSA-N 2 2 385.516 1.477 20 0 GDADLP C[C@@H](C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)[NH+](C)C ZINC000821989916 606155600 /nfs/dbraw/zinc/15/56/00/606155600.db2.gz OBLPSZSEFHCGRF-ZDUSSCGKSA-N 2 2 380.456 1.014 20 0 GDADLP C[NH+](C)CCC1CC[NH+](CCS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584948 606189717 /nfs/dbraw/zinc/18/97/17/606189717.db2.gz YYBNJDDFQZTHTI-UHFFFAOYSA-N 2 2 392.529 1.304 20 0 GDADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820127669 606307483 /nfs/dbraw/zinc/30/74/83/606307483.db2.gz MDYKGQDVTVOJOQ-AWEZNQCLSA-N 2 2 375.502 1.496 20 0 GDADLP C[C@@H]1C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985179 608170645 /nfs/dbraw/zinc/17/06/45/608170645.db2.gz SNAJRFKOIINIPP-VQIMIIECSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985179 608170646 /nfs/dbraw/zinc/17/06/46/608170646.db2.gz SNAJRFKOIINIPP-VQIMIIECSA-N 2 2 385.516 1.203 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849766 608846929 /nfs/dbraw/zinc/84/69/29/608846929.db2.gz MNXVHDNSUCONMU-OIISXLGYSA-N 2 2 382.472 1.198 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849766 608846930 /nfs/dbraw/zinc/84/69/30/608846930.db2.gz MNXVHDNSUCONMU-OIISXLGYSA-N 2 2 382.472 1.198 20 0 GDADLP C[C@@H]1C[N@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1[NH3+] ZINC000420355121 645941608 /nfs/dbraw/zinc/94/16/08/645941608.db2.gz BZUIKUMYPNWKOC-BXUZGUMPSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@@H]1C[N@@H+](CCC(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2Cl)C[C@H]1[NH3+] ZINC000420355121 645941610 /nfs/dbraw/zinc/94/16/10/645941610.db2.gz BZUIKUMYPNWKOC-BXUZGUMPSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379058 645942159 /nfs/dbraw/zinc/94/21/59/645942159.db2.gz AKZJRWOPQXOUTB-CJNGLKHVSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379058 645942161 /nfs/dbraw/zinc/94/21/61/645942161.db2.gz AKZJRWOPQXOUTB-CJNGLKHVSA-N 2 2 384.318 1.846 20 0 GDADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)COc1ccccc1Br ZINC000422935252 646101365 /nfs/dbraw/zinc/10/13/65/646101365.db2.gz GYUQNDPBLGOUHT-COXVUDFISA-N 2 2 385.302 1.545 20 0 GDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515383338 648493617 /nfs/dbraw/zinc/49/36/17/648493617.db2.gz CMAQCPZVXMNVCB-CVEARBPZSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515383338 648493621 /nfs/dbraw/zinc/49/36/21/648493621.db2.gz CMAQCPZVXMNVCB-CVEARBPZSA-N 2 2 387.318 1.625 20 0 GDADLP C[N@@H+]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595947846 652428750 /nfs/dbraw/zinc/42/87/50/652428750.db2.gz OLMBIOWPOFFVEP-UHFFFAOYSA-N 2 2 391.278 1.734 20 0 GDADLP C[N@H+]1CCCN(C(=O)c2sc3c(c2I)C[NH2+]C3)CC1 ZINC000595947846 652428755 /nfs/dbraw/zinc/42/87/55/652428755.db2.gz OLMBIOWPOFFVEP-UHFFFAOYSA-N 2 2 391.278 1.734 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000617764189 652976382 /nfs/dbraw/zinc/97/63/82/652976382.db2.gz MCYFFSRBZITUDZ-UHFFFAOYSA-N 2 2 398.305 1.644 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cc2[nH]c(=O)[nH]c21 ZINC000617764189 652976384 /nfs/dbraw/zinc/97/63/84/652976384.db2.gz MCYFFSRBZITUDZ-UHFFFAOYSA-N 2 2 398.305 1.644 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000625793959 653045046 /nfs/dbraw/zinc/04/50/46/653045046.db2.gz AHNQFGFEYIHIAW-GOSISDBHSA-N 2 2 396.329 1.033 20 0 GDADLP O=S(=O)(CCC[NH+]1CCCC1)NCc1cc[nH+]c(N2CCSCC2)c1 ZINC000632680184 653399038 /nfs/dbraw/zinc/39/90/38/653399038.db2.gz DKROINDVWDEXAR-UHFFFAOYSA-N 2 2 384.571 1.540 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)nn3C)CC2)CC1 ZINC000817657187 655356178 /nfs/dbraw/zinc/35/61/78/655356178.db2.gz XFRNJWLDARITQW-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)nn3C)CC2)CC1 ZINC000817657187 655356180 /nfs/dbraw/zinc/35/61/80/655356180.db2.gz XFRNJWLDARITQW-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078213 655384756 /nfs/dbraw/zinc/38/47/56/655384756.db2.gz UQMGJGMKOWBQQB-ROUUACIJSA-N 2 2 398.345 1.479 20 0 GDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000843048010 655387341 /nfs/dbraw/zinc/38/73/41/655387341.db2.gz IYANSNVRILOHKN-GFCCVEGCSA-N 2 2 380.290 1.384 20 0 GDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000843048010 655387344 /nfs/dbraw/zinc/38/73/44/655387344.db2.gz IYANSNVRILOHKN-GFCCVEGCSA-N 2 2 380.290 1.384 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000870896079 656254222 /nfs/dbraw/zinc/25/42/22/656254222.db2.gz FYDRRUSUDIMFEP-DLBZAZTESA-N 2 2 397.361 1.837 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@@H](O)c1cc(Br)no1 ZINC000878311291 656718145 /nfs/dbraw/zinc/71/81/45/656718145.db2.gz HHWVZTMFLOYOAN-CYBMUJFWSA-N 2 2 375.311 1.428 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@@H](O)c1cc(Br)no1 ZINC000878311291 656718148 /nfs/dbraw/zinc/71/81/48/656718148.db2.gz HHWVZTMFLOYOAN-CYBMUJFWSA-N 2 2 375.311 1.428 20 0 GDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2cccc(I)c2)CC1 ZINC000925902436 656725660 /nfs/dbraw/zinc/72/56/60/656725660.db2.gz RWZAZJZNIMECML-UHFFFAOYSA-N 2 2 388.253 1.836 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000884211467 657335346 /nfs/dbraw/zinc/33/53/46/657335346.db2.gz FCCRMXRAQOHEPZ-PMPSAXMXSA-N 2 2 382.302 1.507 20 0 GDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316226 657345233 /nfs/dbraw/zinc/34/52/33/657345233.db2.gz MPEKAPARXZKWOH-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP OC[C@@]1(C(F)(F)F)CC[N@H+](CCC[NH+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808812 657697879 /nfs/dbraw/zinc/69/78/79/657697879.db2.gz PSMFOEGXIBMMLQ-BETUJISGSA-N 2 2 378.357 1.870 20 0 GDADLP OC[C@@]1(C(F)(F)F)CC[N@@H+](CCC[NH+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808812 657697887 /nfs/dbraw/zinc/69/78/87/657697887.db2.gz PSMFOEGXIBMMLQ-BETUJISGSA-N 2 2 378.357 1.870 20 0 GDADLP OC[C@@]1(C(F)(F)F)CC[NH+](CCC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808812 657697895 /nfs/dbraw/zinc/69/78/95/657697895.db2.gz PSMFOEGXIBMMLQ-BETUJISGSA-N 2 2 378.357 1.870 20 0 GDADLP OC[C@@]1(C(F)(F)F)CC[NH+](CCC[N@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808812 657697899 /nfs/dbraw/zinc/69/78/99/657697899.db2.gz PSMFOEGXIBMMLQ-BETUJISGSA-N 2 2 378.357 1.870 20 0 GDADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(N)=O ZINC000895572036 658712319 /nfs/dbraw/zinc/71/23/19/658712319.db2.gz QLSRLGVZPCINQT-INIZCTEOSA-N 2 2 397.317 1.837 20 0 GDADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(N)=O ZINC000895572036 658712328 /nfs/dbraw/zinc/71/23/28/658712328.db2.gz QLSRLGVZPCINQT-INIZCTEOSA-N 2 2 397.317 1.837 20 0 GDADLP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255320 658999234 /nfs/dbraw/zinc/99/92/34/658999234.db2.gz RZCAGBNCOIGURI-DWQUBVKVSA-N 2 2 392.297 1.965 20 0 GDADLP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255320 658999237 /nfs/dbraw/zinc/99/92/37/658999237.db2.gz RZCAGBNCOIGURI-DWQUBVKVSA-N 2 2 392.297 1.965 20 0 GDADLP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255320 658999240 /nfs/dbraw/zinc/99/92/40/658999240.db2.gz RZCAGBNCOIGURI-DWQUBVKVSA-N 2 2 392.297 1.965 20 0 GDADLP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC(=O)N(c4ccc(Br)cc4)C3=O)C[C@]2(C)C1 ZINC000899255320 658999242 /nfs/dbraw/zinc/99/92/42/658999242.db2.gz RZCAGBNCOIGURI-DWQUBVKVSA-N 2 2 392.297 1.965 20 0 GDADLP O=S(=O)(c1ccc(C(F)F)o1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562237 659341582 /nfs/dbraw/zinc/34/15/82/659341582.db2.gz IQRQAUVUKMXAEB-BETUJISGSA-N 2 2 375.441 1.807 20 0 GDADLP O=S(=O)(c1ccc(C(F)F)o1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562237 659341585 /nfs/dbraw/zinc/34/15/85/659341585.db2.gz IQRQAUVUKMXAEB-BETUJISGSA-N 2 2 375.441 1.807 20 0 GDADLP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000914703404 660154031 /nfs/dbraw/zinc/15/40/31/660154031.db2.gz FXJLPJNITNXPEJ-HNNXBMFYSA-N 2 2 382.599 1.681 20 0 GDADLP C[C@@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000914703404 660154032 /nfs/dbraw/zinc/15/40/32/660154032.db2.gz FXJLPJNITNXPEJ-HNNXBMFYSA-N 2 2 382.599 1.681 20 0 GDADLP O=C(c1cccnc1N1CC[C@H]2[NH2+]CC[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164410960 718874903 /nfs/dbraw/zinc/87/49/03/718874903.db2.gz KHZVURHOOCFSSY-NHCUHLMSSA-N 2 2 391.519 1.980 20 0 GDADLP c1cn(Cc2nnn3c2CN(c2ncccc2C[NH+]2CCCC2)CCC3)c[nH+]1 ZINC001164828768 720399677 /nfs/dbraw/zinc/39/96/77/720399677.db2.gz LCSYLCZUMHHMDO-UHFFFAOYSA-N 2 2 378.484 1.924 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@H]2C1 ZINC001164858643 720883588 /nfs/dbraw/zinc/88/35/88/720883588.db2.gz LOFKBIDUBPGEHS-CEXWTWQISA-N 2 2 389.544 1.886 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@H]2C1 ZINC001164858643 720883589 /nfs/dbraw/zinc/88/35/89/720883589.db2.gz LOFKBIDUBPGEHS-CEXWTWQISA-N 2 2 389.544 1.886 20 0 GDADLP Cc1ccc(N2CCO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]32)nn1 ZINC001164775187 721311468 /nfs/dbraw/zinc/31/14/68/721311468.db2.gz AVKSXRWEDCQYEA-MSOLQXFVSA-N 2 2 395.511 1.026 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@]4(CC(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164898674 721482434 /nfs/dbraw/zinc/48/24/34/721482434.db2.gz WVAUPVIMEXXHFI-GCJKJVERSA-N 2 2 399.539 1.203 20 0 GDADLP Cc1noc(C[C@@H]2C[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3O2)n1 ZINC001164957848 722041514 /nfs/dbraw/zinc/04/15/14/722041514.db2.gz CIPXCNQKJLMFGJ-YESZJQIVSA-N 2 2 384.484 1.361 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282933 945870935 /nfs/dbraw/zinc/87/09/35/945870935.db2.gz WAYWEMRWEJKUPX-YOEHRIQHSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282933 945870947 /nfs/dbraw/zinc/87/09/47/945870947.db2.gz WAYWEMRWEJKUPX-YOEHRIQHSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282933 945870961 /nfs/dbraw/zinc/87/09/61/945870961.db2.gz WAYWEMRWEJKUPX-YOEHRIQHSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571282933 945870975 /nfs/dbraw/zinc/87/09/75/945870975.db2.gz WAYWEMRWEJKUPX-YOEHRIQHSA-N 2 2 387.463 1.181 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)CC[N@@H+]1C ZINC001571294717 946142661 /nfs/dbraw/zinc/14/26/61/946142661.db2.gz LGKFVCRIRXTHFE-UMVBOHGHSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)CC[N@H+]1C ZINC001571294717 946142671 /nfs/dbraw/zinc/14/26/71/946142671.db2.gz LGKFVCRIRXTHFE-UMVBOHGHSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC[NH+]1C ZINC001571294717 946142677 /nfs/dbraw/zinc/14/26/77/946142677.db2.gz LGKFVCRIRXTHFE-UMVBOHGHSA-N 2 2 389.529 1.301 20 0 GDADLP C[C@@H]1[C@H](C(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC[NH+]1C ZINC001571294717 946142683 /nfs/dbraw/zinc/14/26/83/946142683.db2.gz LGKFVCRIRXTHFE-UMVBOHGHSA-N 2 2 389.529 1.301 20 0 GDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295057 946152028 /nfs/dbraw/zinc/15/20/28/946152028.db2.gz OGEXBMQMTDYDBA-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295057 946152036 /nfs/dbraw/zinc/15/20/36/946152036.db2.gz OGEXBMQMTDYDBA-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295057 946152044 /nfs/dbraw/zinc/15/20/44/946152044.db2.gz OGEXBMQMTDYDBA-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295057 946152054 /nfs/dbraw/zinc/15/20/54/946152054.db2.gz OGEXBMQMTDYDBA-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295397 946161619 /nfs/dbraw/zinc/16/16/19/946161619.db2.gz RSGMKSUJXDWCNB-UKRRQHHQSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295397 946161626 /nfs/dbraw/zinc/16/16/26/946161626.db2.gz RSGMKSUJXDWCNB-UKRRQHHQSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295397 946161633 /nfs/dbraw/zinc/16/16/33/946161633.db2.gz RSGMKSUJXDWCNB-UKRRQHHQSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295397 946161640 /nfs/dbraw/zinc/16/16/40/946161640.db2.gz RSGMKSUJXDWCNB-UKRRQHHQSA-N 2 2 389.529 1.492 20 0 GDADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476325 948379390 /nfs/dbraw/zinc/37/93/90/948379390.db2.gz FMLZGBFAVWILIF-QGZVFWFLSA-N 2 2 392.467 1.965 20 0 GDADLP O=C1[C@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476632 948384221 /nfs/dbraw/zinc/38/42/21/948384221.db2.gz LODHCLNMDLDCKK-NVXWUHKLSA-N 2 2 392.467 1.965 20 0 GDADLP O=C1[C@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476632 948384231 /nfs/dbraw/zinc/38/42/31/948384231.db2.gz LODHCLNMDLDCKK-NVXWUHKLSA-N 2 2 392.467 1.965 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882624 949789058 /nfs/dbraw/zinc/78/90/58/949789058.db2.gz NOLQVRTVPDMUPP-GXTWGEPZSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882624 949789068 /nfs/dbraw/zinc/78/90/68/949789068.db2.gz NOLQVRTVPDMUPP-GXTWGEPZSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575282426 949834876 /nfs/dbraw/zinc/83/48/76/949834876.db2.gz BLEZAPIFFAGEBP-LSDHHAIUSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502150 950360518 /nfs/dbraw/zinc/36/05/18/950360518.db2.gz JRWNVGDFTUSAGH-GOEBONIOSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502150 950360541 /nfs/dbraw/zinc/36/05/41/950360541.db2.gz JRWNVGDFTUSAGH-GOEBONIOSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199226 950419756 /nfs/dbraw/zinc/41/97/56/950419756.db2.gz XPDKGRLMFANDQV-CYBMUJFWSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199226 950419765 /nfs/dbraw/zinc/41/97/65/950419765.db2.gz XPDKGRLMFANDQV-CYBMUJFWSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199226 950419772 /nfs/dbraw/zinc/41/97/72/950419772.db2.gz XPDKGRLMFANDQV-CYBMUJFWSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576199226 950419781 /nfs/dbraw/zinc/41/97/81/950419781.db2.gz XPDKGRLMFANDQV-CYBMUJFWSA-N 2 2 377.518 1.160 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575910579 950422575 /nfs/dbraw/zinc/42/25/75/950422575.db2.gz LWMQJDWYGUNNCJ-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202544 950430297 /nfs/dbraw/zinc/43/02/97/950430297.db2.gz ARANINPFCKVHDI-CQSZACIVSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202544 950430308 /nfs/dbraw/zinc/43/03/08/950430308.db2.gz ARANINPFCKVHDI-CQSZACIVSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205428 950519505 /nfs/dbraw/zinc/51/95/05/950519505.db2.gz IWJLFQIQQWNFSY-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205428 950519526 /nfs/dbraw/zinc/51/95/26/950519526.db2.gz IWJLFQIQQWNFSY-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205428 950519541 /nfs/dbraw/zinc/51/95/41/950519541.db2.gz IWJLFQIQQWNFSY-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205428 950519560 /nfs/dbraw/zinc/51/95/60/950519560.db2.gz IWJLFQIQQWNFSY-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574509637 950519535 /nfs/dbraw/zinc/51/95/35/950519535.db2.gz UKMNPLYHKMJPBS-GJZGRUSLSA-N 2 2 382.472 1.699 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576205559 950525910 /nfs/dbraw/zinc/52/59/10/950525910.db2.gz JWAAKQJKPGOCLF-HNNXBMFYSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C)n1cc[nH+]c1 ZINC001574512808 950584297 /nfs/dbraw/zinc/58/42/97/950584297.db2.gz CZXORTMGBKKEBJ-NFAWXSAZSA-N 2 2 381.444 1.193 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574516370 950636705 /nfs/dbraw/zinc/63/67/05/950636705.db2.gz IARKLSIYHSWKKI-JQFCIGGWSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574524480 950862609 /nfs/dbraw/zinc/86/26/09/950862609.db2.gz XABQLUAZMCQNRQ-KBPBESRZSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114026 951950764 /nfs/dbraw/zinc/95/07/64/951950764.db2.gz KVRCIJJVMLBRFQ-KGLIPLIRSA-N 2 2 382.472 1.311 20 0 GDADLP C[N@@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001571170552 952786738 /nfs/dbraw/zinc/78/67/38/952786738.db2.gz WKNPRIUHISKOIH-INIZCTEOSA-N 2 2 380.456 1.255 20 0 GDADLP C[N@H+](Cc1ccccc1-c1nn[nH]n1)C[C@@H]1CCCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001571170552 952786742 /nfs/dbraw/zinc/78/67/42/952786742.db2.gz WKNPRIUHISKOIH-INIZCTEOSA-N 2 2 380.456 1.255 20 0 GDADLP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C2CC[NH+](CC(=O)[O-])CC2)CC1 ZINC001593786983 954713657 /nfs/dbraw/zinc/71/36/57/954713657.db2.gz NDPPPANZPRVXQE-UHFFFAOYSA-N 2 2 380.920 1.730 20 0 GDADLP COc1nc(N2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)ncc1Br ZINC000163233105 530574978 /nfs/dbraw/zinc/57/49/78/530574978.db2.gz LMZQBIJLXRQBIF-ZDUSSCGKSA-N 2 2 384.322 1.854 20 0 GDADLP COc1nc(N2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)ncc1Br ZINC000163233105 530574980 /nfs/dbraw/zinc/57/49/80/530574980.db2.gz LMZQBIJLXRQBIF-ZDUSSCGKSA-N 2 2 384.322 1.854 20 0 GDADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cccs1 ZINC000127164596 531026827 /nfs/dbraw/zinc/02/68/27/531026827.db2.gz BNRWAJPPRVCJMY-HNNXBMFYSA-N 2 2 380.539 1.946 20 0 GDADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@H](C)C1 ZINC000130541360 531061940 /nfs/dbraw/zinc/06/19/40/531061940.db2.gz RBYAYIJCQJQORD-TZMCWYRMSA-N 2 2 386.484 1.167 20 0 GDADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@H](C)C1 ZINC000130541360 531061941 /nfs/dbraw/zinc/06/19/41/531061941.db2.gz RBYAYIJCQJQORD-TZMCWYRMSA-N 2 2 386.484 1.167 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246056227 531063197 /nfs/dbraw/zinc/06/31/97/531063197.db2.gz BDEQFEIQOZYTPA-ZWKOTPCHSA-N 2 2 375.579 1.622 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246056227 531063200 /nfs/dbraw/zinc/06/32/00/531063200.db2.gz BDEQFEIQOZYTPA-ZWKOTPCHSA-N 2 2 375.579 1.622 20 0 GDADLP C[C@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[NH+]1CCSCC1 ZINC000151706182 531142097 /nfs/dbraw/zinc/14/20/97/531142097.db2.gz CNGHMVFHCRUZJV-CQSZACIVSA-N 2 2 383.480 1.537 20 0 GDADLP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357318 531244822 /nfs/dbraw/zinc/24/48/22/531244822.db2.gz OUUUXVFUDNELHE-WFASDCNBSA-N 2 2 385.917 1.298 20 0 GDADLP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357318 531244831 /nfs/dbraw/zinc/24/48/31/531244831.db2.gz OUUUXVFUDNELHE-WFASDCNBSA-N 2 2 385.917 1.298 20 0 GDADLP CC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435627829 531265203 /nfs/dbraw/zinc/26/52/03/531265203.db2.gz OVDBNVXBBCKCQF-GFCCVEGCSA-N 2 2 388.921 1.390 20 0 GDADLP CC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000435627829 531265208 /nfs/dbraw/zinc/26/52/08/531265208.db2.gz OVDBNVXBBCKCQF-GFCCVEGCSA-N 2 2 388.921 1.390 20 0 GDADLP C[C@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)S1 ZINC000267038396 531390644 /nfs/dbraw/zinc/39/06/44/531390644.db2.gz GUDKEIBMEDEMBG-NSHDSACASA-N 2 2 381.527 1.285 20 0 GDADLP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414354762 531443672 /nfs/dbraw/zinc/44/36/72/531443672.db2.gz XUNMJTMUNNHWIT-AWEZNQCLSA-N 2 2 375.922 1.170 20 0 GDADLP CNC(=O)[C@H](C)Oc1ccc(Br)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000294825230 531500057 /nfs/dbraw/zinc/50/00/57/531500057.db2.gz RWIMLRXUZSCKKZ-LBPRGKRZSA-N 2 2 381.274 1.949 20 0 GDADLP CO[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)[C@H](C[NH3+])C1 ZINC000415786035 531530460 /nfs/dbraw/zinc/53/04/60/531530460.db2.gz HXYUFRIRMBYHFG-QWRGUYRKSA-N 2 2 386.294 1.880 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCN(C)C[C@H]3C[NH3+])[nH+]c12 ZINC000583983998 531605658 /nfs/dbraw/zinc/60/56/58/531605658.db2.gz LIBLRBJDCURKNC-CQSZACIVSA-N 2 2 395.305 1.190 20 0 GDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639392833 531692367 /nfs/dbraw/zinc/69/23/67/531692367.db2.gz MGYUDUJBHLXCDC-AWEZNQCLSA-N 2 2 388.331 1.623 20 0 GDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@H]1C[NH+]2CCC1CC2 ZINC000639392833 531692376 /nfs/dbraw/zinc/69/23/76/531692376.db2.gz MGYUDUJBHLXCDC-AWEZNQCLSA-N 2 2 388.331 1.623 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640301552 531732619 /nfs/dbraw/zinc/73/26/19/531732619.db2.gz CSNVSHHDMWDWJR-UHFFFAOYSA-N 2 2 384.834 2.104 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nn(CC(F)(F)F)cc1Cl ZINC000640301552 531732625 /nfs/dbraw/zinc/73/26/25/531732625.db2.gz CSNVSHHDMWDWJR-UHFFFAOYSA-N 2 2 384.834 2.104 20 0 GDADLP CO[C@@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@@H](C[NH3+])C1 ZINC000417214340 531760084 /nfs/dbraw/zinc/76/00/84/531760084.db2.gz GTMSKSHXZXZQNV-ZIAGYGMSSA-N 2 2 396.289 1.745 20 0 GDADLP C[N@@H+]1CCO[C@H]([C@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944172 531792948 /nfs/dbraw/zinc/79/29/48/531792948.db2.gz CAWILBFFVMRXDX-UONOGXRCSA-N 2 2 376.835 1.605 20 0 GDADLP C[N@H+]1CCO[C@H]([C@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944172 531792960 /nfs/dbraw/zinc/79/29/60/531792960.db2.gz CAWILBFFVMRXDX-UONOGXRCSA-N 2 2 376.835 1.605 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCO[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418024012 531798980 /nfs/dbraw/zinc/79/89/80/531798980.db2.gz STPWQEKNXXVVHI-AWEZNQCLSA-N 2 2 396.289 1.317 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000284309009 531947480 /nfs/dbraw/zinc/94/74/80/531947480.db2.gz JGPMVAAVSBNQAW-HNNXBMFYSA-N 2 2 398.301 1.665 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c(Br)c1 ZINC000284309009 531947485 /nfs/dbraw/zinc/94/74/85/531947485.db2.gz JGPMVAAVSBNQAW-HNNXBMFYSA-N 2 2 398.301 1.665 20 0 GDADLP CCN1C(=O)[C@@H]2C[N@H+](Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000369441503 531964647 /nfs/dbraw/zinc/96/46/47/531964647.db2.gz UPLWWMGWEFAUCI-ZDUSSCGKSA-N 2 2 392.257 1.565 20 0 GDADLP CCN1C(=O)[C@@H]2C[N@@H+](Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000369441503 531964652 /nfs/dbraw/zinc/96/46/52/531964652.db2.gz UPLWWMGWEFAUCI-ZDUSSCGKSA-N 2 2 392.257 1.565 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(I)cc1 ZINC000576704469 532027805 /nfs/dbraw/zinc/02/78/05/532027805.db2.gz SJULGUYYHYRWQD-VXGBXAGGSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(I)cc1 ZINC000576704469 532027808 /nfs/dbraw/zinc/02/78/08/532027808.db2.gz SJULGUYYHYRWQD-VXGBXAGGSA-N 2 2 385.249 1.771 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882573 532068148 /nfs/dbraw/zinc/06/81/48/532068148.db2.gz SQFSFWBQSBJGBB-BBRMVZONSA-N 2 2 384.318 1.926 20 0 GDADLP C[C@H]1C[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333243212 532227195 /nfs/dbraw/zinc/22/71/95/532227195.db2.gz BISIHCNYNILITH-NWDGAFQWSA-N 2 2 398.305 1.943 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430921194 532256976 /nfs/dbraw/zinc/25/69/76/532256976.db2.gz XMPFIZHAHJXSDA-ZDUSSCGKSA-N 2 2 397.317 1.435 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430921194 532256983 /nfs/dbraw/zinc/25/69/83/532256983.db2.gz XMPFIZHAHJXSDA-ZDUSSCGKSA-N 2 2 397.317 1.435 20 0 GDADLP C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000071954237 206209353 /nfs/dbraw/zinc/20/93/53/206209353.db2.gz CTZPRGOVJVOORD-SJORKVTESA-N 2 2 395.573 1.550 20 0 GDADLP C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)[N@H+]1CCC[C@@H](C)C1 ZINC000071954237 206209355 /nfs/dbraw/zinc/20/93/55/206209355.db2.gz CTZPRGOVJVOORD-SJORKVTESA-N 2 2 395.573 1.550 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)CC1 ZINC000736851203 599056392 /nfs/dbraw/zinc/05/63/92/599056392.db2.gz HCEDEBVLLHQDFH-LLVKDONJSA-N 2 2 396.421 1.861 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)CC1 ZINC000736851203 599056396 /nfs/dbraw/zinc/05/63/96/599056396.db2.gz HCEDEBVLLHQDFH-LLVKDONJSA-N 2 2 396.421 1.861 20 0 GDADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000737745401 599073706 /nfs/dbraw/zinc/07/37/06/599073706.db2.gz YFRBHTSHFJUABE-CXAGYDPISA-N 2 2 378.440 1.222 20 0 GDADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000737745401 599073708 /nfs/dbraw/zinc/07/37/08/599073708.db2.gz YFRBHTSHFJUABE-CXAGYDPISA-N 2 2 378.440 1.222 20 0 GDADLP CCC[N@H+](C)CC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736471118 598408562 /nfs/dbraw/zinc/40/85/62/598408562.db2.gz HOFKKRXBYWDWLM-UHFFFAOYSA-N 2 2 394.483 1.405 20 0 GDADLP CCC[N@@H+](C)CC(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736471118 598408564 /nfs/dbraw/zinc/40/85/64/598408564.db2.gz HOFKKRXBYWDWLM-UHFFFAOYSA-N 2 2 394.483 1.405 20 0 GDADLP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736862592 598525878 /nfs/dbraw/zinc/52/58/78/598525878.db2.gz FFRCLCCACHXPMT-FQEVSTJZSA-N 2 2 377.496 1.945 20 0 GDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000738421622 599491789 /nfs/dbraw/zinc/49/17/89/599491789.db2.gz RXWSENWJHYUCDR-KRWDZBQOSA-N 2 2 382.472 1.247 20 0 GDADLP O=C([O-])CCC[NH+]1CCC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000833774037 605220331 /nfs/dbraw/zinc/22/03/31/605220331.db2.gz VVPOXTONRDVBPQ-UHFFFAOYSA-N 2 2 375.513 1.938 20 0 GDADLP CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821621705 606558628 /nfs/dbraw/zinc/55/86/28/606558628.db2.gz CODNXXKCROHZTE-SFHVURJKSA-N 2 2 383.500 1.036 20 0 GDADLP CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821621705 606558630 /nfs/dbraw/zinc/55/86/30/606558630.db2.gz CODNXXKCROHZTE-SFHVURJKSA-N 2 2 383.500 1.036 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000821702287 606616715 /nfs/dbraw/zinc/61/67/15/606616715.db2.gz OMVKPJQGMQCIPB-INIZCTEOSA-N 2 2 383.456 1.924 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000821702287 606616717 /nfs/dbraw/zinc/61/67/17/606616717.db2.gz OMVKPJQGMQCIPB-INIZCTEOSA-N 2 2 383.456 1.924 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820685104 606966177 /nfs/dbraw/zinc/96/61/77/606966177.db2.gz STRHKMGZHFWQQT-IYBDPMFKSA-N 2 2 387.507 1.996 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820685104 606966179 /nfs/dbraw/zinc/96/61/79/606966179.db2.gz STRHKMGZHFWQQT-IYBDPMFKSA-N 2 2 387.507 1.996 20 0 GDADLP C[C@@H]1C[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824991630 608170737 /nfs/dbraw/zinc/17/07/37/608170737.db2.gz DGOAHAKWKAMMHG-SJLPKXTDSA-N 2 2 394.527 1.577 20 0 GDADLP C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824991630 608170738 /nfs/dbraw/zinc/17/07/38/608170738.db2.gz DGOAHAKWKAMMHG-SJLPKXTDSA-N 2 2 394.527 1.577 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000826169382 608361482 /nfs/dbraw/zinc/36/14/82/608361482.db2.gz QQHPWZQODJERRT-SFHVURJKSA-N 2 2 385.516 1.477 20 0 GDADLP Cc1cc(NC(=O)N(CC[NH+](C)C)Cc2ccc(-c3nn[nH]n3)cc2)c(C)c[nH+]1 ZINC000826270131 608477370 /nfs/dbraw/zinc/47/73/70/608477370.db2.gz MGKPVFAZLYGOCH-UHFFFAOYSA-N 2 2 394.483 1.896 20 0 GDADLP C[C@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568593 608483187 /nfs/dbraw/zinc/48/31/87/608483187.db2.gz AXMZOQWZEARKFY-YWZLYKJASA-N 2 2 378.480 1.937 20 0 GDADLP C[C@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568593 608483188 /nfs/dbraw/zinc/48/31/88/608483188.db2.gz AXMZOQWZEARKFY-YWZLYKJASA-N 2 2 378.480 1.937 20 0 GDADLP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825840018 608507270 /nfs/dbraw/zinc/50/72/70/608507270.db2.gz MRLSXVPDIDXLRQ-OALUTQOASA-N 2 2 397.527 1.776 20 0 GDADLP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825840018 608507275 /nfs/dbraw/zinc/50/72/75/608507275.db2.gz MRLSXVPDIDXLRQ-OALUTQOASA-N 2 2 397.527 1.776 20 0 GDADLP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361216 609335896 /nfs/dbraw/zinc/33/58/96/609335896.db2.gz PTMQHUISLNFLOF-UHFFFAOYSA-N 2 2 378.484 1.984 20 0 GDADLP C[C@H](C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045294 650304262 /nfs/dbraw/zinc/30/42/62/650304262.db2.gz LOEPPWGATJBDMS-IKGGRYGDSA-N 2 2 376.563 1.257 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCC2)cc1Br ZINC000467233367 647637803 /nfs/dbraw/zinc/63/78/03/647637803.db2.gz RXQGNUDXTXTWGS-UHFFFAOYSA-N 2 2 383.290 1.271 20 0 GDADLP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2nc(Br)c[nH]2)c1 ZINC000921670720 660321343 /nfs/dbraw/zinc/32/13/43/660321343.db2.gz KJVKPHIOQWAHDW-UHFFFAOYSA-N 2 2 380.290 1.753 20 0 GDADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000480913807 647860421 /nfs/dbraw/zinc/86/04/21/647860421.db2.gz VRXTUIYQOVJOIN-OAHLLOKOSA-N 2 2 380.539 1.946 20 0 GDADLP COCC[NH2+]CCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000573800721 651495070 /nfs/dbraw/zinc/49/50/70/651495070.db2.gz HFBYSKWBLMEGLY-MRXNPFEDSA-N 2 2 384.318 1.938 20 0 GDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000574513547 651547988 /nfs/dbraw/zinc/54/79/88/651547988.db2.gz TZEXKBZJMSLVFD-NHYWBVRUSA-N 2 2 388.281 1.220 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000576429221 651663166 /nfs/dbraw/zinc/66/31/66/651663166.db2.gz ODUGZRDXVPBHBN-GOEBONIOSA-N 2 2 394.313 1.928 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000576429221 651663170 /nfs/dbraw/zinc/66/31/70/651663170.db2.gz ODUGZRDXVPBHBN-GOEBONIOSA-N 2 2 394.313 1.928 20 0 GDADLP Ic1cnc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)nc1 ZINC000602958128 652662275 /nfs/dbraw/zinc/66/22/75/652662275.db2.gz ZFKNITAPTVVCMQ-UHFFFAOYSA-N 2 2 398.252 1.490 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000617768715 652976347 /nfs/dbraw/zinc/97/63/47/652976347.db2.gz RIEPPSIQWHABDW-UHFFFAOYSA-N 2 2 399.333 1.179 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1cccc(Br)c1 ZINC000617768715 652976349 /nfs/dbraw/zinc/97/63/49/652976349.db2.gz RIEPPSIQWHABDW-UHFFFAOYSA-N 2 2 399.333 1.179 20 0 GDADLP CN(C(=O)c1cc(Br)c[nH]c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621915316 653000268 /nfs/dbraw/zinc/00/02/68/653000268.db2.gz YXCQWEYCZLLMEI-AWEZNQCLSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1cc(Br)c[nH]c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621915316 653000270 /nfs/dbraw/zinc/00/02/70/653000270.db2.gz YXCQWEYCZLLMEI-AWEZNQCLSA-N 2 2 397.317 1.790 20 0 GDADLP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c2cccs2)CC1 ZINC000638288773 653537461 /nfs/dbraw/zinc/53/74/61/653537461.db2.gz ZRLXRNKCFCTTDI-AWEZNQCLSA-N 2 2 384.527 1.067 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278960 653666496 /nfs/dbraw/zinc/66/64/96/653666496.db2.gz OVYPGYQRHZZMQY-AEFFLSMTSA-N 2 2 396.329 1.946 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000662475270 654295113 /nfs/dbraw/zinc/29/51/13/654295113.db2.gz CGHHIXKCQITOSG-CJNGLKHVSA-N 2 2 382.302 1.630 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000662475269 654295146 /nfs/dbraw/zinc/29/51/46/654295146.db2.gz CGHHIXKCQITOSG-BBRMVZONSA-N 2 2 382.302 1.630 20 0 GDADLP Cn1ncc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c1Br ZINC000760327615 655108834 /nfs/dbraw/zinc/10/88/34/655108834.db2.gz JCHMOQQFFDSLLH-UHFFFAOYSA-N 2 2 398.349 1.863 20 0 GDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(OC)s1 ZINC000820790838 655416679 /nfs/dbraw/zinc/41/66/79/655416679.db2.gz YAKHYXDWBQORAR-CYBMUJFWSA-N 2 2 376.548 1.188 20 0 GDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(OC)s1 ZINC000820790838 655416680 /nfs/dbraw/zinc/41/66/80/655416680.db2.gz YAKHYXDWBQORAR-CYBMUJFWSA-N 2 2 376.548 1.188 20 0 GDADLP Ic1cnnn1C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000849352966 655522473 /nfs/dbraw/zinc/52/24/73/655522473.db2.gz UEWAXAJKJKZFPR-NSHDSACASA-N 2 2 375.258 1.519 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)n[nH]3)CC2)CC1 ZINC000854962987 655682704 /nfs/dbraw/zinc/68/27/04/655682704.db2.gz FQZNOPPTBWGIRM-UHFFFAOYSA-N 2 2 384.322 1.804 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)n[nH]3)CC2)CC1 ZINC000854962987 655682706 /nfs/dbraw/zinc/68/27/06/655682706.db2.gz FQZNOPPTBWGIRM-UHFFFAOYSA-N 2 2 384.322 1.804 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000855414763 655693747 /nfs/dbraw/zinc/69/37/47/655693747.db2.gz LAFSBUYBDQYSDX-MRXNPFEDSA-N 2 2 384.318 1.752 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1Cc2cc(Br)ccc2O1 ZINC000855414763 655693749 /nfs/dbraw/zinc/69/37/49/655693749.db2.gz LAFSBUYBDQYSDX-MRXNPFEDSA-N 2 2 384.318 1.752 20 0 GDADLP Cn1cc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c(Br)n1 ZINC000858111668 655744662 /nfs/dbraw/zinc/74/46/62/655744662.db2.gz OBOGRWOIWSWQDE-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870892856 656253700 /nfs/dbraw/zinc/25/37/00/656253700.db2.gz ZRMQSHDMCOHFPE-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870892856 656253707 /nfs/dbraw/zinc/25/37/07/656253707.db2.gz ZRMQSHDMCOHFPE-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000870897013 656254095 /nfs/dbraw/zinc/25/40/95/656254095.db2.gz YICISVIGQVOUBX-CJNGLKHVSA-N 2 2 383.334 1.449 20 0 GDADLP O=S(=O)(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1cccc(Cl)c1Cl ZINC000925669645 656716162 /nfs/dbraw/zinc/71/61/62/656716162.db2.gz CWBIRTALCDVMMD-SQXIKUFJSA-N 2 2 390.336 1.858 20 0 GDADLP Cn1ncc(Br)c1CC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000878554231 656733073 /nfs/dbraw/zinc/73/30/73/656733073.db2.gz ZEEXQZUQLULDON-UHFFFAOYSA-N 2 2 398.349 1.400 20 0 GDADLP Cn1ncc(Br)c1CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000878823765 656751512 /nfs/dbraw/zinc/75/15/12/656751512.db2.gz HDUQQPQUUAMUPE-GFCCVEGCSA-N 2 2 384.322 1.010 20 0 GDADLP Cn1ncc(Br)c1CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000878823765 656751518 /nfs/dbraw/zinc/75/15/18/656751518.db2.gz HDUQQPQUUAMUPE-GFCCVEGCSA-N 2 2 384.322 1.010 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000894142924 658511039 /nfs/dbraw/zinc/51/10/39/658511039.db2.gz QCBWEDGVKMPFAZ-LBPRGKRZSA-N 2 2 399.362 1.717 20 0 GDADLP Cn1ncc(I)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000894169241 658515115 /nfs/dbraw/zinc/51/51/15/658515115.db2.gz YZZBGDGNQCNFRW-UHFFFAOYSA-N 2 2 391.301 1.140 20 0 GDADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c3C2)cc1 ZINC001164404852 718861778 /nfs/dbraw/zinc/86/17/78/718861778.db2.gz QOZLUPATUJQYHQ-WIYYLYMNSA-N 2 2 379.508 1.850 20 0 GDADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5C[NH2+]CC[C@@H]5C4)c3C2)cc1 ZINC001164404852 718861779 /nfs/dbraw/zinc/86/17/79/718861779.db2.gz QOZLUPATUJQYHQ-WIYYLYMNSA-N 2 2 379.508 1.850 20 0 GDADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@H](Cn4cccn4)C3)[nH+]2)CC1 ZINC001164898158 721486645 /nfs/dbraw/zinc/48/66/45/721486645.db2.gz VTCUMSWSRHZYLU-SFHVURJKSA-N 2 2 392.511 1.563 20 0 GDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358986 945430540 /nfs/dbraw/zinc/43/05/40/945430540.db2.gz QRNBSFKPNIAPNZ-YOEHRIQHSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358986 945430548 /nfs/dbraw/zinc/43/05/48/945430548.db2.gz QRNBSFKPNIAPNZ-YOEHRIQHSA-N 2 2 398.515 1.395 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271741 945649871 /nfs/dbraw/zinc/64/98/71/945649871.db2.gz IRXMPBUFLCKROL-GXTWGEPZSA-N 2 2 386.485 1.199 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271742 945649953 /nfs/dbraw/zinc/64/99/53/945649953.db2.gz IRXMPBUFLCKROL-JSGCOSHPSA-N 2 2 386.485 1.199 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272105 945655734 /nfs/dbraw/zinc/65/57/34/945655734.db2.gz PISRBROIADOEQX-LBPRGKRZSA-N 2 2 386.485 1.222 20 0 GDADLP O=C(Cn1cc[nH+]c1)N1CCC[C@@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272547 945665539 /nfs/dbraw/zinc/66/55/39/945665539.db2.gz WAIWXJMXGOIEQR-ZDUSSCGKSA-N 2 2 386.485 1.153 20 0 GDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295061 946152874 /nfs/dbraw/zinc/15/28/74/946152874.db2.gz OGEXBMQMTDYDBA-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295061 946152884 /nfs/dbraw/zinc/15/28/84/946152884.db2.gz OGEXBMQMTDYDBA-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295061 946152894 /nfs/dbraw/zinc/15/28/94/946152894.db2.gz OGEXBMQMTDYDBA-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295061 946152902 /nfs/dbraw/zinc/15/29/02/946152902.db2.gz OGEXBMQMTDYDBA-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295451 946165256 /nfs/dbraw/zinc/16/52/56/946165256.db2.gz TWRUFSXWYHTPKN-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295451 946165260 /nfs/dbraw/zinc/16/52/60/946165260.db2.gz TWRUFSXWYHTPKN-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295451 946165267 /nfs/dbraw/zinc/16/52/67/946165267.db2.gz TWRUFSXWYHTPKN-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295451 946165271 /nfs/dbraw/zinc/16/52/71/946165271.db2.gz TWRUFSXWYHTPKN-KBPBESRZSA-N 2 2 389.529 1.351 20 0 GDADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476417 948382130 /nfs/dbraw/zinc/38/21/30/948382130.db2.gz HJSKMMVJTSJZOS-MSOLQXFVSA-N 2 2 392.467 1.896 20 0 GDADLP O=C1[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476417 948382139 /nfs/dbraw/zinc/38/21/39/948382139.db2.gz HJSKMMVJTSJZOS-MSOLQXFVSA-N 2 2 392.467 1.896 20 0 GDADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476634 948382998 /nfs/dbraw/zinc/38/29/98/948382998.db2.gz LODHCLNMDLDCKK-WBVHZDCISA-N 2 2 392.467 1.965 20 0 GDADLP O=C1[C@@H]([N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476634 948383004 /nfs/dbraw/zinc/38/30/04/948383004.db2.gz LODHCLNMDLDCKK-WBVHZDCISA-N 2 2 392.467 1.965 20 0 GDADLP O[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)COCC1CC1 ZINC000826502713 948418521 /nfs/dbraw/zinc/41/85/21/948418521.db2.gz JCZPVGGJLBMQHS-LJQANCHMSA-N 2 2 386.500 1.208 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918128 948836926 /nfs/dbraw/zinc/83/69/26/948836926.db2.gz GBUWIANBSQXREY-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918128 948836950 /nfs/dbraw/zinc/83/69/50/948836950.db2.gz GBUWIANBSQXREY-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574919387 948878946 /nfs/dbraw/zinc/87/89/46/948878946.db2.gz YBTYAKVIOIEDLG-CYBMUJFWSA-N 2 2 386.435 1.277 20 0 GDADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574481404 949778024 /nfs/dbraw/zinc/77/80/24/949778024.db2.gz PJUGADHSXCBAID-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574720838 949804306 /nfs/dbraw/zinc/80/43/06/949804306.db2.gz IBLOABDIFTWKIR-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574722693 949839206 /nfs/dbraw/zinc/83/92/06/949839206.db2.gz VOPXJRZJNPTSJU-CYBMUJFWSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725016 949887351 /nfs/dbraw/zinc/88/73/51/949887351.db2.gz NHFTYBQZYTZHNV-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191345 950193003 /nfs/dbraw/zinc/19/30/03/950193003.db2.gz FKZUFFJKBFYJAO-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191345 950193014 /nfs/dbraw/zinc/19/30/14/950193014.db2.gz FKZUFFJKBFYJAO-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191345 950193023 /nfs/dbraw/zinc/19/30/23/950193023.db2.gz FKZUFFJKBFYJAO-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191345 950193037 /nfs/dbraw/zinc/19/30/37/950193037.db2.gz FKZUFFJKBFYJAO-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP CC1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576196265 950355552 /nfs/dbraw/zinc/35/55/52/950355552.db2.gz BVVQMUQQZMGHFW-UHFFFAOYSA-N 2 2 391.545 1.550 20 0 GDADLP CC1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576196265 950355565 /nfs/dbraw/zinc/35/55/65/950355565.db2.gz BVVQMUQQZMGHFW-UHFFFAOYSA-N 2 2 391.545 1.550 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196908 950369256 /nfs/dbraw/zinc/36/92/56/950369256.db2.gz ITBBLPJCIIBITJ-LSDHHAIUSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196908 950369277 /nfs/dbraw/zinc/36/92/77/950369277.db2.gz ITBBLPJCIIBITJ-LSDHHAIUSA-N 2 2 384.488 1.031 20 0 GDADLP CC1CC[NH+](CC(=O)N2CC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576197205 950382270 /nfs/dbraw/zinc/38/22/70/950382270.db2.gz LKMHMFHAEQCMDV-HNNXBMFYSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)n1cc[nH+]c1 ZINC001574506792 950440057 /nfs/dbraw/zinc/44/00/57/950440057.db2.gz FWHMKHLLWATDMI-QWHCGFSZSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001575915854 950525660 /nfs/dbraw/zinc/52/56/60/950525660.db2.gz XQGATNBKLSXDPV-CXAGYDPISA-N 2 2 380.456 1.302 20 0 GDADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576208986 950623288 /nfs/dbraw/zinc/62/32/88/950623288.db2.gz XMIJRCPKXVTGEH-UHFFFAOYSA-N 2 2 377.518 1.208 20 0 GDADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576208986 950623305 /nfs/dbraw/zinc/62/33/05/950623305.db2.gz XMIJRCPKXVTGEH-UHFFFAOYSA-N 2 2 377.518 1.208 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574523866 950835049 /nfs/dbraw/zinc/83/50/49/950835049.db2.gz RMOLWQDCHNPASM-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001574524510 950862364 /nfs/dbraw/zinc/86/23/64/950862364.db2.gz XOXOEPPATVUMKW-UONOGXRCSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001575107062 951911527 /nfs/dbraw/zinc/91/15/27/951911527.db2.gz YAZHOSSCYPAGBK-LJQANCHMSA-N 2 2 380.456 1.138 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140486 952627010 /nfs/dbraw/zinc/62/70/10/952627010.db2.gz AZZOHKOWRRDJDZ-CALCHBBNSA-N 2 2 378.440 1.008 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC001571140486 952627012 /nfs/dbraw/zinc/62/70/12/952627012.db2.gz AZZOHKOWRRDJDZ-CALCHBBNSA-N 2 2 378.440 1.008 20 0 GDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571167104 952769740 /nfs/dbraw/zinc/76/97/40/952769740.db2.gz VSCNRQYISKLZMP-ZBFHGGJFSA-N 2 2 380.456 1.233 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001571252617 953331218 /nfs/dbraw/zinc/33/12/18/953331218.db2.gz RMVHSPPDHFZMRR-QGZVFWFLSA-N 2 2 384.488 1.173 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001571252617 953331221 /nfs/dbraw/zinc/33/12/21/953331221.db2.gz RMVHSPPDHFZMRR-QGZVFWFLSA-N 2 2 384.488 1.173 20 0 GDADLP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC[NH+](CCCC(=O)[O-])CC2)CC1 ZINC001598626419 994102295 /nfs/dbraw/zinc/10/22/95/994102295.db2.gz WNARKSKLGUTUPJ-UHFFFAOYSA-N 2 2 375.517 1.252 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000174719398 530653166 /nfs/dbraw/zinc/65/31/66/530653166.db2.gz KCNIXXWDIQMWTP-UHFFFAOYSA-N 2 2 384.322 1.352 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000174719398 530653169 /nfs/dbraw/zinc/65/31/69/530653169.db2.gz KCNIXXWDIQMWTP-UHFFFAOYSA-N 2 2 384.322 1.352 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc3c(c(Br)c2)OCO3)CC1 ZINC000177140504 530697688 /nfs/dbraw/zinc/69/76/88/530697688.db2.gz ODCSHZJIDVKMFC-UHFFFAOYSA-N 2 2 398.301 1.934 20 0 GDADLP Cn1nc(Br)cc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000192000829 530958891 /nfs/dbraw/zinc/95/88/91/530958891.db2.gz SFPWYDNOQSZTPI-UHFFFAOYSA-N 2 2 384.322 1.471 20 0 GDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1Cl ZINC000236833439 531040598 /nfs/dbraw/zinc/04/05/98/531040598.db2.gz CIASPGBMHFTHHF-CVEARBPZSA-N 2 2 389.949 1.601 20 0 GDADLP CS(=O)(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237336412 531045314 /nfs/dbraw/zinc/04/53/14/531045314.db2.gz UCLAIYKJYNCVLI-JKSUJKDBSA-N 2 2 387.933 1.355 20 0 GDADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237322942 531045340 /nfs/dbraw/zinc/04/53/40/531045340.db2.gz UCLAIYKJYNCVLI-HZPDHXFCSA-N 2 2 387.933 1.355 20 0 GDADLP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237924660 531052364 /nfs/dbraw/zinc/05/23/64/531052364.db2.gz NIPCGFPWCQWSFD-HNNXBMFYSA-N 2 2 383.945 1.958 20 0 GDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261894070 531102289 /nfs/dbraw/zinc/10/22/89/531102289.db2.gz ODOYWOOERYQHOA-XJKSGUPXSA-N 2 2 381.318 1.924 20 0 GDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261894070 531102290 /nfs/dbraw/zinc/10/22/90/531102290.db2.gz ODOYWOOERYQHOA-XJKSGUPXSA-N 2 2 381.318 1.924 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246948238 531071002 /nfs/dbraw/zinc/07/10/02/531071002.db2.gz RBKOGQZAKVOYBF-DOTOQJQBSA-N 2 2 399.329 1.843 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246948238 531071006 /nfs/dbraw/zinc/07/10/06/531071006.db2.gz RBKOGQZAKVOYBF-DOTOQJQBSA-N 2 2 399.329 1.843 20 0 GDADLP C[C@](O)(CNc1[nH+]ccc2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000413166773 531397802 /nfs/dbraw/zinc/39/78/02/531397802.db2.gz UPNHNABYLDEIDJ-KRWDZBQOSA-N 2 2 380.286 2.492 20 0 GDADLP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910491 531426995 /nfs/dbraw/zinc/42/69/95/531426995.db2.gz VELDDGCBHSGJLG-VXGBXAGGSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910491 531427001 /nfs/dbraw/zinc/42/70/01/531427001.db2.gz VELDDGCBHSGJLG-VXGBXAGGSA-N 2 2 383.290 1.173 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057440 531430462 /nfs/dbraw/zinc/43/04/62/531430462.db2.gz FUNPQNQYPKGUBD-HOCLYGCPSA-N 2 2 386.334 1.946 20 0 GDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057440 531430466 /nfs/dbraw/zinc/43/04/66/531430466.db2.gz FUNPQNQYPKGUBD-HOCLYGCPSA-N 2 2 386.334 1.946 20 0 GDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377931 531445748 /nfs/dbraw/zinc/44/57/48/531445748.db2.gz KJNXTFPFCYRVKN-QMTHXVAHSA-N 2 2 388.331 1.669 20 0 GDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377931 531445752 /nfs/dbraw/zinc/44/57/52/531445752.db2.gz KJNXTFPFCYRVKN-QMTHXVAHSA-N 2 2 388.331 1.669 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1cc(C[N@H+]2CCSC[C@@H]2CO)ccc1F ZINC000450637600 531504247 /nfs/dbraw/zinc/50/42/47/531504247.db2.gz HBIGYSIBWSHKIX-DLBZAZTESA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)ccc1F ZINC000450637600 531504252 /nfs/dbraw/zinc/50/42/52/531504252.db2.gz HBIGYSIBWSHKIX-DLBZAZTESA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[N@H+]1Cc1cc(C[NH+]2CCSC[C@@H]2CO)ccc1F ZINC000450637600 531504255 /nfs/dbraw/zinc/50/42/55/531504255.db2.gz HBIGYSIBWSHKIX-DLBZAZTESA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[N@@H+]1Cc1cc(C[NH+]2CCSC[C@@H]2CO)ccc1F ZINC000450637600 531504259 /nfs/dbraw/zinc/50/42/59/531504259.db2.gz HBIGYSIBWSHKIX-DLBZAZTESA-N 2 2 386.558 1.645 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2ccc(Br)cc2O)CC1 ZINC000551714761 531545092 /nfs/dbraw/zinc/54/50/92/531545092.db2.gz URADDUKBHPYWJK-UHFFFAOYSA-N 2 2 384.318 1.839 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC34CC(C3)C[NH2+]4)[nH+]c12 ZINC000659480596 531548945 /nfs/dbraw/zinc/54/89/45/531548945.db2.gz HSFYXLSRTTVPGP-UHFFFAOYSA-N 2 2 378.274 1.956 20 0 GDADLP CN(C(=O)CSc1n[nH]c(=S)s1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000364350368 531557306 /nfs/dbraw/zinc/55/73/06/531557306.db2.gz XKAJKZSWTFLUOI-GFCCVEGCSA-N 2 2 387.600 1.546 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583806549 531595871 /nfs/dbraw/zinc/59/58/71/531595871.db2.gz XCOKBKZAMNUYMN-INWMFGNUSA-N 2 2 382.302 1.911 20 0 GDADLP NS(=O)(=O)c1cc(Cl)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000559792424 531609403 /nfs/dbraw/zinc/60/94/03/531609403.db2.gz BFWRVGOPANGBJB-UHFFFAOYSA-N 2 2 387.933 1.532 20 0 GDADLP COC[C@@]1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC[NH2+]1 ZINC000417220139 531759946 /nfs/dbraw/zinc/75/99/46/531759946.db2.gz NOKOZXSMIVKXNU-INIZCTEOSA-N 2 2 396.289 1.665 20 0 GDADLP [NH3+]CC[C@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C(F)F ZINC000417224658 531760389 /nfs/dbraw/zinc/76/03/89/531760389.db2.gz RUMFNFQHPLZCLF-JTQLQIEISA-N 2 2 376.205 1.879 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]([NH3+])C3CC3)[nH+]c12 ZINC000418021458 531800314 /nfs/dbraw/zinc/80/03/14/531800314.db2.gz PPYQHSKUNHNDLM-AWEZNQCLSA-N 2 2 380.290 1.984 20 0 GDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563364540 531830061 /nfs/dbraw/zinc/83/00/61/531830061.db2.gz PADDZVWICCYIHV-WFASDCNBSA-N 2 2 379.270 1.150 20 0 GDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563364540 531830067 /nfs/dbraw/zinc/83/00/67/531830067.db2.gz PADDZVWICCYIHV-WFASDCNBSA-N 2 2 379.270 1.150 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCc1c(F)cccc1F ZINC000625276443 531891200 /nfs/dbraw/zinc/89/12/00/531891200.db2.gz MUEYZXGIFNCQBQ-AWEZNQCLSA-N 2 2 377.501 1.699 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)CCc1c(F)cccc1F ZINC000625276443 531891205 /nfs/dbraw/zinc/89/12/05/531891205.db2.gz MUEYZXGIFNCQBQ-AWEZNQCLSA-N 2 2 377.501 1.699 20 0 GDADLP CC[NH+](CC)CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456593552 531922179 /nfs/dbraw/zinc/92/21/79/531922179.db2.gz QMCQUOLMLJJDPG-UHFFFAOYSA-N 2 2 384.322 1.876 20 0 GDADLP Brc1cnn(CC[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)c1 ZINC000369288838 531955252 /nfs/dbraw/zinc/95/52/52/531955252.db2.gz UYSDEXZUPBTTPR-UHFFFAOYSA-N 2 2 386.338 1.032 20 0 GDADLP Brc1cnn(CC[NH2+]C2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000369288838 531955261 /nfs/dbraw/zinc/95/52/61/531955261.db2.gz UYSDEXZUPBTTPR-UHFFFAOYSA-N 2 2 386.338 1.032 20 0 GDADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655735397 531974924 /nfs/dbraw/zinc/97/49/24/531974924.db2.gz UQVDJJAAGYPUFP-MRXNPFEDSA-N 2 2 387.571 1.568 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000631090065 531996845 /nfs/dbraw/zinc/99/68/45/531996845.db2.gz FDDVZABGRGNLLV-JKSUJKDBSA-N 2 2 387.933 1.455 20 0 GDADLP Cn1cc[nH+]c1CN1CCC[C@@H]([NH2+]Cc2ccncc2Br)C1=O ZINC000631110371 531998606 /nfs/dbraw/zinc/99/86/06/531998606.db2.gz IDNSBDZKLXBVMK-CQSZACIVSA-N 2 2 378.274 1.858 20 0 GDADLP Fc1cncc(Br)c1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362335 532005669 /nfs/dbraw/zinc/00/56/69/532005669.db2.gz AAISSIJRACPYQG-ZDUSSCGKSA-N 2 2 387.297 1.479 20 0 GDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910076 532069772 /nfs/dbraw/zinc/06/97/72/532069772.db2.gz PPYSQQLHCRDVJG-LNSITVRQSA-N 2 2 390.265 1.761 20 0 GDADLP O=C(NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422856739 532068347 /nfs/dbraw/zinc/06/83/47/532068347.db2.gz GASKDXRVHZFFHY-DLBZAZTESA-N 2 2 396.329 1.926 20 0 GDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000423077738 532070482 /nfs/dbraw/zinc/07/04/82/532070482.db2.gz UHTLLIJRPJYXLE-JCGIZDLHSA-N 2 2 383.330 1.957 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)C2CC[NH2+]CC2)ccc1Cl ZINC000430630675 532253455 /nfs/dbraw/zinc/25/34/55/532253455.db2.gz RYTVDFQDQRNWIJ-UHFFFAOYSA-N 2 2 388.921 1.213 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)C2CC[NH2+]CC2)ccc1Cl ZINC000430630675 532253460 /nfs/dbraw/zinc/25/34/60/532253460.db2.gz RYTVDFQDQRNWIJ-UHFFFAOYSA-N 2 2 388.921 1.213 20 0 GDADLP C[C@H]([NH2+]CC[NH+]1CCCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000430693494 532254452 /nfs/dbraw/zinc/25/44/52/532254452.db2.gz HASYBEWAXXNXIS-NSHDSACASA-N 2 2 376.320 1.843 20 0 GDADLP COC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000736901079 598862384 /nfs/dbraw/zinc/86/23/84/598862384.db2.gz IAUYEHLOFJPNAT-GOSISDBHSA-N 2 2 384.484 1.889 20 0 GDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395631 599011287 /nfs/dbraw/zinc/01/12/87/599011287.db2.gz XQPGLRUBZKMINK-UXHICEINSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395631 599011289 /nfs/dbraw/zinc/01/12/89/599011289.db2.gz XQPGLRUBZKMINK-UXHICEINSA-N 2 2 378.480 1.839 20 0 GDADLP CNC(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)CC1 ZINC000736872887 599269278 /nfs/dbraw/zinc/26/92/78/599269278.db2.gz CWAVIKQELPFXSY-UHFFFAOYSA-N 2 2 394.483 1.076 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853685 598769691 /nfs/dbraw/zinc/76/96/91/598769691.db2.gz ZMCMKCBOOOOEFZ-MOEXGYKKSA-N 2 2 381.484 1.165 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853685 598769692 /nfs/dbraw/zinc/76/96/92/598769692.db2.gz ZMCMKCBOOOOEFZ-MOEXGYKKSA-N 2 2 381.484 1.165 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CC2CCOCC2)CC1 ZINC000738437260 598796651 /nfs/dbraw/zinc/79/66/51/598796651.db2.gz NBFSOHUKDNKCAW-UHFFFAOYSA-N 2 2 379.468 1.964 20 0 GDADLP CCOC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cccc32)CC1 ZINC000821367671 599538040 /nfs/dbraw/zinc/53/80/40/599538040.db2.gz LVSDMHCYUFGHQO-OAHLLOKOSA-N 2 2 397.483 1.243 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000826183038 607522616 /nfs/dbraw/zinc/52/26/16/607522616.db2.gz BROHTBJBHMPLPN-IAGOWNOFSA-N 2 2 399.543 1.866 20 0 GDADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000825865444 607571147 /nfs/dbraw/zinc/57/11/47/607571147.db2.gz FMMYUUJSBDXCED-KRWDZBQOSA-N 2 2 394.483 1.216 20 0 GDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825855822 607753725 /nfs/dbraw/zinc/75/37/25/607753725.db2.gz JLGSAHFCDMEUFP-NRFANRHFSA-N 2 2 396.495 1.848 20 0 GDADLP CCc1nnc(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(-c2nn[nH]n2)c1CC ZINC000821528249 606925674 /nfs/dbraw/zinc/92/56/74/606925674.db2.gz LXNJABHCWPVCSR-UHFFFAOYSA-N 2 2 399.547 1.752 20 0 GDADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410779 607087765 /nfs/dbraw/zinc/08/77/65/607087765.db2.gz GRZVTJUVKWUIFH-INIZCTEOSA-N 2 2 385.516 1.314 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000826334660 607889481 /nfs/dbraw/zinc/88/94/81/607889481.db2.gz DJPHADMTHIRMHS-INIZCTEOSA-N 2 2 390.455 1.614 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000826334660 607889482 /nfs/dbraw/zinc/88/94/82/607889482.db2.gz DJPHADMTHIRMHS-INIZCTEOSA-N 2 2 390.455 1.614 20 0 GDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)CC1 ZINC000824300080 608417639 /nfs/dbraw/zinc/41/76/39/608417639.db2.gz BVEMDFVIFVZLJR-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981433 608530803 /nfs/dbraw/zinc/53/08/03/608530803.db2.gz SBUFGMYHCLRLPI-IBGZPJMESA-N 2 2 378.480 1.938 20 0 GDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981433 608530804 /nfs/dbraw/zinc/53/08/04/608530804.db2.gz SBUFGMYHCLRLPI-IBGZPJMESA-N 2 2 378.480 1.938 20 0 GDADLP [NH2+]=C(NOCc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000826388475 609500429 /nfs/dbraw/zinc/50/04/29/609500429.db2.gz ALEHBRHKKZUUBS-SFHVURJKSA-N 2 2 393.451 1.766 20 0 GDADLP [NH2+]=C(NOCc1cccc(-c2nn[nH]n2)c1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000826388475 609500432 /nfs/dbraw/zinc/50/04/32/609500432.db2.gz ALEHBRHKKZUUBS-SFHVURJKSA-N 2 2 393.451 1.766 20 0 GDADLP CS[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1[NH+](C)C ZINC000537288947 650288405 /nfs/dbraw/zinc/28/84/05/650288405.db2.gz CHFXQYDDRIHYIZ-IRXDYDNUSA-N 2 2 382.599 1.370 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000567524264 650909549 /nfs/dbraw/zinc/90/95/49/650909549.db2.gz HHABMNRATXXQRC-CYBMUJFWSA-N 2 2 394.317 1.774 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000567524264 650909552 /nfs/dbraw/zinc/90/95/52/650909552.db2.gz HHABMNRATXXQRC-CYBMUJFWSA-N 2 2 394.317 1.774 20 0 GDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422734517 646098795 /nfs/dbraw/zinc/09/87/95/646098795.db2.gz TYMSPHZYOZKSRY-HZPDHXFCSA-N 2 2 382.302 1.536 20 0 GDADLP COCC[NH2+]CC(=O)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000515299067 648488226 /nfs/dbraw/zinc/48/82/26/648488226.db2.gz JAHSZZYNCGKIOU-UHFFFAOYSA-N 2 2 395.301 1.910 20 0 GDADLP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000575690673 651598045 /nfs/dbraw/zinc/59/80/45/651598045.db2.gz KBFMJUFEUKSKBW-BETUJISGSA-N 2 2 375.922 1.576 20 0 GDADLP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000575690673 651598047 /nfs/dbraw/zinc/59/80/47/651598047.db2.gz KBFMJUFEUKSKBW-BETUJISGSA-N 2 2 375.922 1.576 20 0 GDADLP CCO[C@@H]1C[N@@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C[NH3+] ZINC000629550034 653171348 /nfs/dbraw/zinc/17/13/48/653171348.db2.gz WZLIUTUHYGTDRM-DAXOMENPSA-N 2 2 382.302 1.998 20 0 GDADLP CCO[C@@H]1C[N@H+]([C@@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C[NH3+] ZINC000629550034 653171350 /nfs/dbraw/zinc/17/13/50/653171350.db2.gz WZLIUTUHYGTDRM-DAXOMENPSA-N 2 2 382.302 1.998 20 0 GDADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000631910680 653267560 /nfs/dbraw/zinc/26/75/60/653267560.db2.gz LFLRVGCESZRWCE-QGZVFWFLSA-N 2 2 387.933 1.166 20 0 GDADLP O=S(=O)(C[C@H]1C[NH2+]CCO1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000631910680 653267566 /nfs/dbraw/zinc/26/75/66/653267566.db2.gz LFLRVGCESZRWCE-QGZVFWFLSA-N 2 2 387.933 1.166 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639169697 653547972 /nfs/dbraw/zinc/54/79/72/653547972.db2.gz IOAREDXNKLQIMN-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000639169697 653547974 /nfs/dbraw/zinc/54/79/74/653547974.db2.gz IOAREDXNKLQIMN-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000644656563 653599968 /nfs/dbraw/zinc/59/99/68/653599968.db2.gz UKWXLBBTSUJWAD-KRWDZBQOSA-N 2 2 394.313 1.693 20 0 GDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000644656563 653599969 /nfs/dbraw/zinc/59/99/69/653599969.db2.gz UKWXLBBTSUJWAD-KRWDZBQOSA-N 2 2 394.313 1.693 20 0 GDADLP C[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655696749 653990525 /nfs/dbraw/zinc/99/05/25/653990525.db2.gz KHVBSDMNTGQCKF-CVEARBPZSA-N 2 2 384.571 1.407 20 0 GDADLP O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253694 654291111 /nfs/dbraw/zinc/29/11/11/654291111.db2.gz JWTURRGSAHNULY-INIZCTEOSA-N 2 2 394.313 1.728 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000662488304 654296576 /nfs/dbraw/zinc/29/65/76/654296576.db2.gz MIDQMNWUAJCZQP-MRXNPFEDSA-N 2 2 382.302 1.772 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662492103 654297035 /nfs/dbraw/zinc/29/70/35/654297035.db2.gz QGTPHICXGJIDJZ-CZUORRHYSA-N 2 2 382.302 1.630 20 0 GDADLP C[NH2+][C@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662680342 654299698 /nfs/dbraw/zinc/29/96/98/654299698.db2.gz YRQOLQJVGOEFEH-INIZCTEOSA-N 2 2 387.311 1.534 20 0 GDADLP COC1(C)CC[NH+](CCS(=O)(=O)CC[NH+]2CCC(C)(OC)CC2)CC1 ZINC000775556980 654668511 /nfs/dbraw/zinc/66/85/11/654668511.db2.gz XEYVKAFBEFFJQD-UHFFFAOYSA-N 2 2 376.563 1.403 20 0 GDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765416768 655239643 /nfs/dbraw/zinc/23/96/43/655239643.db2.gz LEPWARYMYFTEPJ-LBPRGKRZSA-N 2 2 375.441 1.108 20 0 GDADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959520 655362927 /nfs/dbraw/zinc/36/29/27/655362927.db2.gz SIYIDGGGVMHWDL-HIFRSBDPSA-N 2 2 391.559 1.436 20 0 GDADLP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959524 655363051 /nfs/dbraw/zinc/36/30/51/655363051.db2.gz SIYIDGGGVMHWDL-ZFWWWQNUSA-N 2 2 391.559 1.436 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000866714680 655956278 /nfs/dbraw/zinc/95/62/78/655956278.db2.gz VBUAGDALDWHPSC-KFWWJZLASA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000866714680 655956280 /nfs/dbraw/zinc/95/62/80/655956280.db2.gz VBUAGDALDWHPSC-KFWWJZLASA-N 2 2 384.249 1.955 20 0 GDADLP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1nc(Br)c[nH]1 ZINC000921927279 656429377 /nfs/dbraw/zinc/42/93/77/656429377.db2.gz GXQJCRWAERBSFS-AWEZNQCLSA-N 2 2 394.317 1.551 20 0 GDADLP CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000923608890 656576171 /nfs/dbraw/zinc/57/61/71/656576171.db2.gz ZDABHXGXXPXEHW-MRXNPFEDSA-N 2 2 386.587 1.589 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000877017457 656646292 /nfs/dbraw/zinc/64/62/92/656646292.db2.gz OTVNEGMZSQBFDE-UHFFFAOYSA-N 2 2 375.698 1.751 20 0 GDADLP Cn1ncc(Br)c1CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000878823766 656751594 /nfs/dbraw/zinc/75/15/94/656751594.db2.gz HDUQQPQUUAMUPE-LBPRGKRZSA-N 2 2 384.322 1.010 20 0 GDADLP Cn1ncc(Br)c1CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000878823766 656751600 /nfs/dbraw/zinc/75/16/00/656751600.db2.gz HDUQQPQUUAMUPE-LBPRGKRZSA-N 2 2 384.322 1.010 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000932713980 657212717 /nfs/dbraw/zinc/21/27/17/657212717.db2.gz WAKUVDHPBNWSJO-UHFFFAOYSA-N 2 2 399.333 1.246 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)n(C)cc1Br ZINC000932713980 657212725 /nfs/dbraw/zinc/21/27/25/657212725.db2.gz WAKUVDHPBNWSJO-UHFFFAOYSA-N 2 2 399.333 1.246 20 0 GDADLP Brc1ncccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371335 657283908 /nfs/dbraw/zinc/28/39/08/657283908.db2.gz GLOMNFXOCVKHAM-MRXNPFEDSA-N 2 2 383.334 1.730 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884179616 657333307 /nfs/dbraw/zinc/33/33/07/657333307.db2.gz VLMJEAVLXIYTAG-JKSUJKDBSA-N 2 2 382.302 1.772 20 0 GDADLP O=C(C[NH2+]Cc1ncc(Br)cc1O)NCC[NH+]1CCCCCC1 ZINC000894600255 658589539 /nfs/dbraw/zinc/58/95/39/658589539.db2.gz CNVLCGVXHZIXSE-UHFFFAOYSA-N 2 2 385.306 1.632 20 0 GDADLP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)C1 ZINC000904337190 659399210 /nfs/dbraw/zinc/39/92/10/659399210.db2.gz QIDZNCQZGOBYKF-PHIMTYICSA-N 2 2 394.360 1.554 20 0 GDADLP Fc1ccccc1N1CCN(c2cc(N3CCN4CC[NH2+]C[C@H]4C3)nc[nH+]2)CC1 ZINC001164402296 718840867 /nfs/dbraw/zinc/84/08/67/718840867.db2.gz FPIBRQGHBDMHHD-KRWDZBQOSA-N 2 2 397.502 1.036 20 0 GDADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(OC(C)C)cc[nH+]3)CC2)C1=O ZINC001164641188 719275734 /nfs/dbraw/zinc/27/57/34/719275734.db2.gz TUFDCPXXTBOFPN-UHFFFAOYSA-N 2 2 376.501 1.628 20 0 GDADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(OC(C)C)cc[nH+]3)CC2)C1=O ZINC001164641188 719275737 /nfs/dbraw/zinc/27/57/37/719275737.db2.gz TUFDCPXXTBOFPN-UHFFFAOYSA-N 2 2 376.501 1.628 20 0 GDADLP Cc1noc([C@@H]2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3O2)n1 ZINC001164651890 719299836 /nfs/dbraw/zinc/29/98/36/719299836.db2.gz MQOGZVKJDKYKQH-IXDOHACOSA-N 2 2 384.484 1.881 20 0 GDADLP COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C[NH+](C)C)ccn1 ZINC001164708185 719873835 /nfs/dbraw/zinc/87/38/35/719873835.db2.gz YASNVCLKDKCNRG-YLJYHZDGSA-N 2 2 376.501 1.376 20 0 GDADLP COc1cc(C)c[nH+]c1N1CCc2c(nnn2C)[C@@H]1COCC[NH+]1CCCC1 ZINC001164713761 720191812 /nfs/dbraw/zinc/19/18/12/720191812.db2.gz DBLUTCGQRRXPRT-KRWDZBQOSA-N 2 2 386.500 1.743 20 0 GDADLP COc1cc[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164823638 720431647 /nfs/dbraw/zinc/43/16/47/720431647.db2.gz INIJMABRJMCIQG-INIZCTEOSA-N 2 2 387.484 1.276 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)[nH+]2)CC1 ZINC001164848496 720811817 /nfs/dbraw/zinc/81/18/17/720811817.db2.gz CTNWFLAZXVWJPK-RTBURBONSA-N 2 2 392.507 1.323 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164852836 720874057 /nfs/dbraw/zinc/87/40/57/720874057.db2.gz AAXDYQRBJWYNNE-ZWKOTPCHSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164852836 720874062 /nfs/dbraw/zinc/87/40/62/720874062.db2.gz AAXDYQRBJWYNNE-ZWKOTPCHSA-N 2 2 375.517 1.640 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164768466 721225010 /nfs/dbraw/zinc/22/50/10/721225010.db2.gz LDTOBYJAUMVOBO-MSOLQXFVSA-N 2 2 399.568 1.722 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164768466 721225024 /nfs/dbraw/zinc/22/50/24/721225024.db2.gz LDTOBYJAUMVOBO-MSOLQXFVSA-N 2 2 399.568 1.722 20 0 GDADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(NC4CC4)cc[nH+]3)CC2)C1 ZINC001164874243 721261265 /nfs/dbraw/zinc/26/12/65/721261265.db2.gz JYPIKTIHUUBNOC-UHFFFAOYSA-N 2 2 388.516 1.058 20 0 GDADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3nc(NC4CC4)cc[nH+]3)CC2)C1 ZINC001164874243 721261268 /nfs/dbraw/zinc/26/12/68/721261268.db2.gz JYPIKTIHUUBNOC-UHFFFAOYSA-N 2 2 388.516 1.058 20 0 GDADLP Cc1ccc(N2CCO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]32)nn1 ZINC001164775190 721311378 /nfs/dbraw/zinc/31/13/78/721311378.db2.gz AVKSXRWEDCQYEA-QZTJIDSGSA-N 2 2 395.511 1.026 20 0 GDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3C[NH2+]C4)C2)C1 ZINC001164778775 721343828 /nfs/dbraw/zinc/34/38/28/721343828.db2.gz OMVBOSNASRCUPV-NRFANRHFSA-N 2 2 398.511 1.804 20 0 GDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@@]2(CCCN(c3ncnc4c3C[NH2+]C4)C2)C1 ZINC001164778775 721343830 /nfs/dbraw/zinc/34/38/30/721343830.db2.gz OMVBOSNASRCUPV-NRFANRHFSA-N 2 2 398.511 1.804 20 0 GDADLP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)nn2)CC1 ZINC001164786790 721393250 /nfs/dbraw/zinc/39/32/50/721393250.db2.gz PDGMKKYOFHFNRA-IYBDPMFKSA-N 2 2 385.541 1.253 20 0 GDADLP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)nn2)CC1 ZINC001164786790 721393255 /nfs/dbraw/zinc/39/32/55/721393255.db2.gz PDGMKKYOFHFNRA-IYBDPMFKSA-N 2 2 385.541 1.253 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001165008918 721710068 /nfs/dbraw/zinc/71/00/68/721710068.db2.gz LBXMILVVGSFEBG-UHFFFAOYSA-N 2 2 384.532 1.333 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CC[NH2+]CC3)cn1)C2 ZINC001165008918 721710073 /nfs/dbraw/zinc/71/00/73/721710073.db2.gz LBXMILVVGSFEBG-UHFFFAOYSA-N 2 2 384.532 1.333 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4[C@@H](CCN4C(=O)c4ccco4)C3)[nH+]2)CC1 ZINC001164958113 722047488 /nfs/dbraw/zinc/04/74/88/722047488.db2.gz LMTVXHNIKPTNCO-IRXDYDNUSA-N 2 2 381.480 1.777 20 0 GDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358983 945430350 /nfs/dbraw/zinc/43/03/50/945430350.db2.gz QRNBSFKPNIAPNZ-RHSMWYFYSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358983 945430355 /nfs/dbraw/zinc/43/03/55/945430355.db2.gz QRNBSFKPNIAPNZ-RHSMWYFYSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571281387 945803002 /nfs/dbraw/zinc/80/30/02/945803002.db2.gz HPXRWQILAXEBEL-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571281387 945803010 /nfs/dbraw/zinc/80/30/10/945803010.db2.gz HPXRWQILAXEBEL-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571281387 945803020 /nfs/dbraw/zinc/80/30/20/945803020.db2.gz HPXRWQILAXEBEL-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001571281387 945803028 /nfs/dbraw/zinc/80/30/28/945803028.db2.gz HPXRWQILAXEBEL-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571317245 946604426 /nfs/dbraw/zinc/60/44/26/946604426.db2.gz YVHPFUDKHXTWNX-IAGOWNOFSA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571317245 946604430 /nfs/dbraw/zinc/60/44/30/946604430.db2.gz YVHPFUDKHXTWNX-IAGOWNOFSA-N 2 2 392.467 1.016 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000824547864 946789771 /nfs/dbraw/zinc/78/97/71/946789771.db2.gz TVMZQFLUSJJHNS-BEFAXECRSA-N 2 2 385.516 1.140 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574475791 949576287 /nfs/dbraw/zinc/57/62/87/949576287.db2.gz BYAYRMVHRUDZQF-HNNXBMFYSA-N 2 2 382.472 1.605 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574475791 949576306 /nfs/dbraw/zinc/57/63/06/949576306.db2.gz BYAYRMVHRUDZQF-HNNXBMFYSA-N 2 2 382.472 1.605 20 0 GDADLP C[C@@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574477226 949648289 /nfs/dbraw/zinc/64/82/89/949648289.db2.gz PEKAWMSWPUIDOA-AWEZNQCLSA-N 2 2 383.460 1.394 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881736 949729928 /nfs/dbraw/zinc/72/99/28/949729928.db2.gz AENUDJWOGUHWOE-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881736 949729944 /nfs/dbraw/zinc/72/99/44/949729944.db2.gz AENUDJWOGUHWOE-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574483522 949825531 /nfs/dbraw/zinc/82/55/31/949825531.db2.gz BHLQCWNYQSDRFH-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725955 949919436 /nfs/dbraw/zinc/91/94/36/949919436.db2.gz WDNUTMLBRBWTDD-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574490809 950018950 /nfs/dbraw/zinc/01/89/50/950018950.db2.gz ZOIJBELWFHRCJU-JLSDUUJJSA-N 2 2 392.467 1.500 20 0 GDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574490809 950018971 /nfs/dbraw/zinc/01/89/71/950018971.db2.gz ZOIJBELWFHRCJU-JLSDUUJJSA-N 2 2 392.467 1.500 20 0 GDADLP CC1CC[NH+](CC(=O)NCC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001576209210 950622844 /nfs/dbraw/zinc/62/28/44/950622844.db2.gz YQBWQWICEHKDSM-UHFFFAOYSA-N 2 2 389.479 1.286 20 0 GDADLP CC1CC[NH+](CC(=O)NCC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC001576209210 950622873 /nfs/dbraw/zinc/62/28/73/950622873.db2.gz YQBWQWICEHKDSM-UHFFFAOYSA-N 2 2 389.479 1.286 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574518962 950664818 /nfs/dbraw/zinc/66/48/18/950664818.db2.gz SCLMRFINNIHSRN-JHJVBQTASA-N 2 2 386.485 1.513 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574518964 950666070 /nfs/dbraw/zinc/66/60/70/950666070.db2.gz SCLMRFINNIHSRN-RWMBFGLXSA-N 2 2 386.485 1.513 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574523456 950812809 /nfs/dbraw/zinc/81/28/09/950812809.db2.gz NSKPBFHWGVPXLD-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523454 950814951 /nfs/dbraw/zinc/81/49/51/950814951.db2.gz NSKPBFHWGVPXLD-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001575096052 951817353 /nfs/dbraw/zinc/81/73/53/951817353.db2.gz YPWWNJWEVIIGSX-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575201655 952506388 /nfs/dbraw/zinc/50/63/88/952506388.db2.gz JVUSSMPBUKCOHR-KGLIPLIRSA-N 2 2 382.472 1.405 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202595 952514513 /nfs/dbraw/zinc/51/45/13/952514513.db2.gz WEIXIVWGFWYEHO-QEJZJMRPSA-N 2 2 380.456 1.205 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167257 952772421 /nfs/dbraw/zinc/77/24/21/952772421.db2.gz ZWDIFGOXTREFPU-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167257 952772425 /nfs/dbraw/zinc/77/24/25/952772425.db2.gz ZWDIFGOXTREFPU-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP O=C(CCn1cc[nH+]c1)N1CCC[N@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172090 952801617 /nfs/dbraw/zinc/80/16/17/952801617.db2.gz LXNIAPLHSSFFIJ-UHFFFAOYSA-N 2 2 380.456 1.188 20 0 GDADLP O=C(CCn1cc[nH+]c1)N1CCC[N@@H+](Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172090 952801622 /nfs/dbraw/zinc/80/16/22/952801622.db2.gz LXNIAPLHSSFFIJ-UHFFFAOYSA-N 2 2 380.456 1.188 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251834 953320996 /nfs/dbraw/zinc/32/09/96/953320996.db2.gz AVUCFHQWVIOELX-HOTGVXAUSA-N 2 2 384.488 1.077 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251834 953321000 /nfs/dbraw/zinc/32/10/00/953321000.db2.gz AVUCFHQWVIOELX-HOTGVXAUSA-N 2 2 384.488 1.077 20 0 GDADLP Cc1cc(Br)ccc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178904609 530730304 /nfs/dbraw/zinc/73/03/04/530730304.db2.gz GKSQLFUGIYZZBS-QGZVFWFLSA-N 2 2 396.329 1.780 20 0 GDADLP Cc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000181070240 530777460 /nfs/dbraw/zinc/77/74/60/530777460.db2.gz MRASCESQFTUNKJ-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP Cc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(F)cc1F ZINC000181070240 530777461 /nfs/dbraw/zinc/77/74/61/530777461.db2.gz MRASCESQFTUNKJ-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP Cc1[nH+]ccn1CC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000077122006 530806889 /nfs/dbraw/zinc/80/68/89/530806889.db2.gz IWHVZCLQBYKLIW-UHFFFAOYSA-N 2 2 386.880 1.991 20 0 GDADLP CCS(=O)(=O)c1c(Cl)cccc1C[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000187203081 530868497 /nfs/dbraw/zinc/86/84/97/530868497.db2.gz QMNPBPGOFROXAF-UHFFFAOYSA-N 2 2 387.933 1.387 20 0 GDADLP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2cccs2)CC1 ZINC000236721271 531039945 /nfs/dbraw/zinc/03/99/45/531039945.db2.gz RIFNKYKNHFOUQY-GJZGRUSLSA-N 2 2 387.571 1.399 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc(I)c1 ZINC000261773934 531098729 /nfs/dbraw/zinc/09/87/29/531098729.db2.gz OWBCRIISAASYDN-RYUDHWBXSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc(I)c1 ZINC000261773934 531098731 /nfs/dbraw/zinc/09/87/31/531098731.db2.gz OWBCRIISAASYDN-RYUDHWBXSA-N 2 2 385.249 1.771 20 0 GDADLP C[C@H](NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000261870226 531101121 /nfs/dbraw/zinc/10/11/21/531101121.db2.gz XUDSYJDMIWWONR-GDZNZVCISA-N 2 2 384.318 1.848 20 0 GDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709817 531234494 /nfs/dbraw/zinc/23/44/94/531234494.db2.gz GMKRZWVPPOGTGA-UKRRQHHQSA-N 2 2 399.333 1.807 20 0 GDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709817 531234499 /nfs/dbraw/zinc/23/44/99/531234499.db2.gz GMKRZWVPPOGTGA-UKRRQHHQSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709817 531234505 /nfs/dbraw/zinc/23/45/05/531234505.db2.gz GMKRZWVPPOGTGA-UKRRQHHQSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709817 531234509 /nfs/dbraw/zinc/23/45/09/531234509.db2.gz GMKRZWVPPOGTGA-UKRRQHHQSA-N 2 2 399.333 1.807 20 0 GDADLP C[C@@](O)(CNc1[nH+]ccc2cc(Br)ccc21)C[NH+]1CCOCC1 ZINC000413166775 531397832 /nfs/dbraw/zinc/39/78/32/531397832.db2.gz UPNHNABYLDEIDJ-QGZVFWFLSA-N 2 2 380.286 2.492 20 0 GDADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415068245 531465723 /nfs/dbraw/zinc/46/57/23/531465723.db2.gz MBDQASACFYKLIA-CYBMUJFWSA-N 2 2 389.290 1.451 20 0 GDADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415068245 531465725 /nfs/dbraw/zinc/46/57/25/531465725.db2.gz MBDQASACFYKLIA-CYBMUJFWSA-N 2 2 389.290 1.451 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489886731 531512194 /nfs/dbraw/zinc/51/21/94/531512194.db2.gz UCEDYEXOFHVWEK-XJKSGUPXSA-N 2 2 381.318 1.756 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000557137584 531508737 /nfs/dbraw/zinc/50/87/37/531508737.db2.gz BHXGTUYMHJRISJ-LBPRGKRZSA-N 2 2 375.698 1.887 20 0 GDADLP C[N@H+]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000557137584 531508741 /nfs/dbraw/zinc/50/87/41/531508741.db2.gz BHXGTUYMHJRISJ-LBPRGKRZSA-N 2 2 375.698 1.887 20 0 GDADLP C[C@H](CCC[NH3+])NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415798514 531533154 /nfs/dbraw/zinc/53/31/54/531533154.db2.gz ATMZLBANLGVUJN-LLVKDONJSA-N 2 2 386.294 1.930 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@@H+]3CC[C@H](O)C3)[nH+]c12 ZINC000637045343 531595682 /nfs/dbraw/zinc/59/56/82/531595682.db2.gz IGEIPCRJOGHXOH-AWEZNQCLSA-N 2 2 396.289 1.271 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@H+]3CC[C@H](O)C3)[nH+]c12 ZINC000637045343 531595691 /nfs/dbraw/zinc/59/56/91/531595691.db2.gz IGEIPCRJOGHXOH-AWEZNQCLSA-N 2 2 396.289 1.271 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000617507288 531660194 /nfs/dbraw/zinc/66/01/94/531660194.db2.gz QGWQCFLOMWWQDI-JTQLQIEISA-N 2 2 396.966 1.051 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cc(Cl)sc1S(N)(=O)=O ZINC000617507288 531660208 /nfs/dbraw/zinc/66/02/08/531660208.db2.gz QGWQCFLOMWWQDI-JTQLQIEISA-N 2 2 396.966 1.051 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000662654421 531691536 /nfs/dbraw/zinc/69/15/36/531691536.db2.gz CJTBRGRUAOMYRI-RDJZCZTQSA-N 2 2 382.302 1.556 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1Br ZINC000662717349 531693465 /nfs/dbraw/zinc/69/34/65/531693465.db2.gz OAGDGJLJMFDJQK-XHSDSOJGSA-N 2 2 382.302 1.507 20 0 GDADLP C[N@H+](CCC(=O)Nc1ccccc1Br)CC(=O)N1CC[NH+](C)CC1 ZINC000640059638 531720087 /nfs/dbraw/zinc/72/00/87/531720087.db2.gz UNIBFEUXAMEKEQ-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[N@@H+](CCC(=O)Nc1ccccc1Br)CC(=O)N1CC[NH+](C)CC1 ZINC000640059638 531720096 /nfs/dbraw/zinc/72/00/96/531720096.db2.gz UNIBFEUXAMEKEQ-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000515810974 531812340 /nfs/dbraw/zinc/81/23/40/531812340.db2.gz NVKBCDZRAVTKSA-AWEZNQCLSA-N 2 2 388.299 1.606 20 0 GDADLP C[N@H+]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000515810974 531812350 /nfs/dbraw/zinc/81/23/50/531812350.db2.gz NVKBCDZRAVTKSA-AWEZNQCLSA-N 2 2 388.299 1.606 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563595095 531856754 /nfs/dbraw/zinc/85/67/54/531856754.db2.gz QHGAEINANOUYTL-UONOGXRCSA-N 2 2 386.327 1.856 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@H](C[NH3+])C1 ZINC000563595095 531856762 /nfs/dbraw/zinc/85/67/62/531856762.db2.gz QHGAEINANOUYTL-UONOGXRCSA-N 2 2 386.327 1.856 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c(Br)c1 ZINC000284454427 531959728 /nfs/dbraw/zinc/95/97/28/531959728.db2.gz UOMWBZSRUUEULK-UHFFFAOYSA-N 2 2 398.301 1.489 20 0 GDADLP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419985128 531992470 /nfs/dbraw/zinc/99/24/70/531992470.db2.gz YIJMMVDHFYSYCB-GFCCVEGCSA-N 2 2 396.289 1.203 20 0 GDADLP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000576490563 532023488 /nfs/dbraw/zinc/02/34/88/532023488.db2.gz JLOLQHDEHCGMEX-LBPRGKRZSA-N 2 2 398.305 1.896 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600726433 532052644 /nfs/dbraw/zinc/05/26/44/532052644.db2.gz LGNMSUSEEYHSCO-VGMNWLOBSA-N 2 2 378.317 1.222 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600726433 532052648 /nfs/dbraw/zinc/05/26/48/532052648.db2.gz LGNMSUSEEYHSCO-VGMNWLOBSA-N 2 2 378.317 1.222 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142900 532058632 /nfs/dbraw/zinc/05/86/32/532058632.db2.gz LFOXBPYXNQMUAA-CABCVRRESA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142900 532058637 /nfs/dbraw/zinc/05/86/37/532058637.db2.gz LFOXBPYXNQMUAA-CABCVRRESA-N 2 2 375.270 1.741 20 0 GDADLP C[NH+]1CCN(CCC[NH2+]Cc2ncc(I)s2)CC1 ZINC000285568380 532094808 /nfs/dbraw/zinc/09/48/08/532094808.db2.gz WBOLHOKSUIZLKP-UHFFFAOYSA-N 2 2 380.299 1.475 20 0 GDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncc(I)s1 ZINC000286651477 532167188 /nfs/dbraw/zinc/16/71/88/532167188.db2.gz UFCRSBWVFNWGRH-JTQLQIEISA-N 2 2 380.299 1.473 20 0 GDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000430574979 532252315 /nfs/dbraw/zinc/25/23/15/532252315.db2.gz JMLNPQZXIYTROQ-MRXNPFEDSA-N 2 2 390.937 1.492 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630604 532253116 /nfs/dbraw/zinc/25/31/16/532253116.db2.gz SMOPNZDUPZTOHF-AWEZNQCLSA-N 2 2 384.318 1.957 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430630604 532253121 /nfs/dbraw/zinc/25/31/21/532253121.db2.gz SMOPNZDUPZTOHF-AWEZNQCLSA-N 2 2 384.318 1.957 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC000430638673 532253486 /nfs/dbraw/zinc/25/34/86/532253486.db2.gz CYAHSMLKFVRPEN-UHFFFAOYSA-N 2 2 392.244 1.914 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)ccc1OC(F)F ZINC000430638673 532253492 /nfs/dbraw/zinc/25/34/92/532253492.db2.gz CYAHSMLKFVRPEN-UHFFFAOYSA-N 2 2 392.244 1.914 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC000430639721 532254399 /nfs/dbraw/zinc/25/43/99/532254399.db2.gz ITYNHWICJLBBJR-LBPRGKRZSA-N 2 2 388.921 1.200 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1Cl ZINC000430639721 532254402 /nfs/dbraw/zinc/25/44/02/532254402.db2.gz ITYNHWICJLBBJR-LBPRGKRZSA-N 2 2 388.921 1.200 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289553279 532327854 /nfs/dbraw/zinc/32/78/54/532327854.db2.gz QJEXJWUCNYAPSV-CQSZACIVSA-N 2 2 380.290 1.526 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289553279 532327856 /nfs/dbraw/zinc/32/78/56/532327856.db2.gz QJEXJWUCNYAPSV-CQSZACIVSA-N 2 2 380.290 1.526 20 0 GDADLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000737160250 598250929 /nfs/dbraw/zinc/25/09/29/598250929.db2.gz XAWQBKJPZGFLRN-UHFFFAOYSA-N 2 2 381.440 1.471 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)c2)C1 ZINC000822859090 599435199 /nfs/dbraw/zinc/43/51/99/599435199.db2.gz FMRYNZLRVRKMER-INIZCTEOSA-N 2 2 395.467 1.447 20 0 GDADLP Cc1cccc2c(NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336920 599470073 /nfs/dbraw/zinc/47/00/73/599470073.db2.gz UGEZCHOXEIQYJL-SFHVURJKSA-N 2 2 394.527 1.829 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@@H+]1C ZINC000820657022 599676133 /nfs/dbraw/zinc/67/61/33/599676133.db2.gz ICUFFPBDHULAPA-YJBOKZPZSA-N 2 2 398.515 1.177 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC[N@H+]1C ZINC000820657022 599676134 /nfs/dbraw/zinc/67/61/34/599676134.db2.gz ICUFFPBDHULAPA-YJBOKZPZSA-N 2 2 398.515 1.177 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330957 607638772 /nfs/dbraw/zinc/63/87/72/607638772.db2.gz OLOFCTFFJJNUEX-CXAGYDPISA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330957 607638774 /nfs/dbraw/zinc/63/87/74/607638774.db2.gz OLOFCTFFJJNUEX-CXAGYDPISA-N 2 2 380.456 1.863 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625569 607105511 /nfs/dbraw/zinc/10/55/11/607105511.db2.gz QTJGSHXRBQULRD-NJAFHUGGSA-N 2 2 381.484 1.388 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625569 607105513 /nfs/dbraw/zinc/10/55/13/607105513.db2.gz QTJGSHXRBQULRD-NJAFHUGGSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625569 607105515 /nfs/dbraw/zinc/10/55/15/607105515.db2.gz QTJGSHXRBQULRD-NJAFHUGGSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625569 607105516 /nfs/dbraw/zinc/10/55/16/607105516.db2.gz QTJGSHXRBQULRD-NJAFHUGGSA-N 2 2 381.484 1.388 20 0 GDADLP CS[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000539492629 650335745 /nfs/dbraw/zinc/33/57/45/650335745.db2.gz FVZDLBYVGDYWIW-CABCVRRESA-N 2 2 383.587 1.655 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000563709776 650738007 /nfs/dbraw/zinc/73/80/07/650738007.db2.gz XRJLIMSTOGEHRQ-GOSISDBHSA-N 2 2 397.361 1.767 20 0 GDADLP [NH3+][C@@H]1C[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CCN2C1=O ZINC000566489773 650852371 /nfs/dbraw/zinc/85/23/71/650852371.db2.gz ZDGBVTKWALJCCZ-JOYOIKCWSA-N 2 2 379.233 1.885 20 0 GDADLP S=C(NCCC[NH+]1CCOCC1)N1CC[NH+](CCc2cccs2)CC1 ZINC000063675674 644522837 /nfs/dbraw/zinc/52/28/37/644522837.db2.gz YBENHBJHLLSNPY-UHFFFAOYSA-N 2 2 382.599 1.505 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cccc(Br)c1 ZINC000320872552 645254109 /nfs/dbraw/zinc/25/41/09/645254109.db2.gz ZMEFHXRMWBBVLL-UXLLHSPISA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1cccc(Br)c1 ZINC000320872552 645254112 /nfs/dbraw/zinc/25/41/12/645254112.db2.gz ZMEFHXRMWBBVLL-UXLLHSPISA-N 2 2 385.302 1.642 20 0 GDADLP O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccs1 ZINC000423003255 646107610 /nfs/dbraw/zinc/10/76/10/646107610.db2.gz LHFJLHCIFBTMGI-BBWFWOEESA-N 2 2 380.535 1.966 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000576358153 651656857 /nfs/dbraw/zinc/65/68/57/651656857.db2.gz KFKBGTUYSUWKNY-CQSZACIVSA-N 2 2 382.306 1.629 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000576358153 651656860 /nfs/dbraw/zinc/65/68/60/651656860.db2.gz KFKBGTUYSUWKNY-CQSZACIVSA-N 2 2 382.306 1.629 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000623618148 653007450 /nfs/dbraw/zinc/00/74/50/653007450.db2.gz GAWOXJNNIIVSHH-AWEZNQCLSA-N 2 2 380.290 1.526 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000623618148 653007451 /nfs/dbraw/zinc/00/74/51/653007451.db2.gz GAWOXJNNIIVSHH-AWEZNQCLSA-N 2 2 380.290 1.526 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000649420455 653667270 /nfs/dbraw/zinc/66/72/70/653667270.db2.gz PXOGOTZJHNNYMV-CYBMUJFWSA-N 2 2 394.277 1.170 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000649420455 653667274 /nfs/dbraw/zinc/66/72/74/653667274.db2.gz PXOGOTZJHNNYMV-CYBMUJFWSA-N 2 2 394.277 1.170 20 0 GDADLP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000662464776 654294745 /nfs/dbraw/zinc/29/47/45/654294745.db2.gz QVMJVPXDWDLCTL-SNVBAGLBSA-N 2 2 387.347 1.480 20 0 GDADLP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662905628 654317507 /nfs/dbraw/zinc/31/75/07/654317507.db2.gz FKDOQVRSYIOWOK-SNVBAGLBSA-N 2 2 385.331 1.234 20 0 GDADLP O=C(NC[C@@H]1C[N@H+]2CCN1CCC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662905628 654317511 /nfs/dbraw/zinc/31/75/11/654317511.db2.gz FKDOQVRSYIOWOK-SNVBAGLBSA-N 2 2 385.331 1.234 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705329438 654833949 /nfs/dbraw/zinc/83/39/49/654833949.db2.gz VXBGTSZRDXHEKX-QGZVFWFLSA-N 2 2 379.302 1.909 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705329438 654833952 /nfs/dbraw/zinc/83/39/52/654833952.db2.gz VXBGTSZRDXHEKX-QGZVFWFLSA-N 2 2 379.302 1.909 20 0 GDADLP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817958064 655362912 /nfs/dbraw/zinc/36/29/12/655362912.db2.gz GVYHOACEXVJBAG-SWLSCSKDSA-N 2 2 377.532 1.046 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000863546303 655875257 /nfs/dbraw/zinc/87/52/57/655875257.db2.gz AEJQCCNPHLJFII-CABCVRRESA-N 2 2 381.274 1.601 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000866709188 655955782 /nfs/dbraw/zinc/95/57/82/655955782.db2.gz ISGWXILCYYUBKU-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000866709188 655955783 /nfs/dbraw/zinc/95/57/83/655955783.db2.gz ISGWXILCYYUBKU-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)CC1 ZINC000870884590 656251823 /nfs/dbraw/zinc/25/18/23/656251823.db2.gz AVOCCHZAZUXVIN-NVXWUHKLSA-N 2 2 395.345 1.734 20 0 GDADLP CN(C)S(=O)(=O)Cc1ccc(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000922453533 656479087 /nfs/dbraw/zinc/47/90/87/656479087.db2.gz WRGFPDRIRXWUAB-UHFFFAOYSA-N 2 2 382.555 1.886 20 0 GDADLP O=S(=O)(CC[NH2+]C[C@@H]1CC1(Cl)Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000876937498 656641487 /nfs/dbraw/zinc/64/14/87/656641487.db2.gz WYALBZMUPQCJLG-ZDUSSCGKSA-N 2 2 393.340 1.317 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc1Br ZINC000876985173 656644200 /nfs/dbraw/zinc/64/42/00/656644200.db2.gz VKVJONIILCFASF-UHFFFAOYSA-N 2 2 384.274 1.099 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884311699 657344991 /nfs/dbraw/zinc/34/49/91/657344991.db2.gz JPEIFXRUSRNNJY-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884311699 657345001 /nfs/dbraw/zinc/34/50/01/657345001.db2.gz JPEIFXRUSRNNJY-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000894393173 658550617 /nfs/dbraw/zinc/55/06/17/658550617.db2.gz SKJRDOLSQDYFDJ-UHFFFAOYSA-N 2 2 395.305 1.159 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675495 659134794 /nfs/dbraw/zinc/13/47/94/659134794.db2.gz SAAKLXINWQFVFT-NVXWUHKLSA-N 2 2 396.329 1.767 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675495 659134796 /nfs/dbraw/zinc/13/47/96/659134796.db2.gz SAAKLXINWQFVFT-NVXWUHKLSA-N 2 2 396.329 1.767 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735554 659378256 /nfs/dbraw/zinc/37/82/56/659378256.db2.gz BMBRFPUDIGIVPT-CZUORRHYSA-N 2 2 383.290 1.483 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903735554 659378264 /nfs/dbraw/zinc/37/82/64/659378264.db2.gz BMBRFPUDIGIVPT-CZUORRHYSA-N 2 2 383.290 1.483 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@@H]43)[nH+]2)CC1 ZINC001164679026 719540456 /nfs/dbraw/zinc/54/04/56/719540456.db2.gz QIKRKCKMSPDIEW-QYZOEREBSA-N 2 2 399.539 1.440 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CC(=O)N4Cc3cccnc3)[nH+]2)CC1 ZINC001164690811 719769492 /nfs/dbraw/zinc/76/94/92/719769492.db2.gz IOWXUDYQMHDIKW-RBUKOAKNSA-N 2 2 392.507 1.608 20 0 GDADLP Cn1ccc2c1cc[nH+]c2N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001164703695 720047724 /nfs/dbraw/zinc/04/77/24/720047724.db2.gz LOHAFHQYSSRNPI-UHFFFAOYSA-N 2 2 393.495 1.257 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849408 720830958 /nfs/dbraw/zinc/83/09/58/720830958.db2.gz POEDAJIJJGRYAT-ROUUACIJSA-N 2 2 375.517 1.780 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849408 720830960 /nfs/dbraw/zinc/83/09/60/720830960.db2.gz POEDAJIJJGRYAT-ROUUACIJSA-N 2 2 375.517 1.780 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164773399 721168654 /nfs/dbraw/zinc/16/86/54/721168654.db2.gz WYVXOMORPNJNEQ-QZTJIDSGSA-N 3 2 396.543 1.096 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164773399 721168664 /nfs/dbraw/zinc/16/86/64/721168664.db2.gz WYVXOMORPNJNEQ-QZTJIDSGSA-N 3 2 396.543 1.096 20 0 GDADLP Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@H+]3Cc2ccccc2)c(C[NH3+])c1 ZINC001164946084 721976702 /nfs/dbraw/zinc/97/67/02/721976702.db2.gz JNNJJYOYUYHYON-UHFFFAOYSA-N 2 2 379.508 1.820 20 0 GDADLP Cc1cnc(N2CCC3(CC2)C(=O)NCC[N@@H+]3Cc2ccccc2)c(C[NH3+])c1 ZINC001164946084 721976704 /nfs/dbraw/zinc/97/67/04/721976704.db2.gz JNNJJYOYUYHYON-UHFFFAOYSA-N 2 2 379.508 1.820 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571271424 945644375 /nfs/dbraw/zinc/64/43/75/945644375.db2.gz CGZPVBNBIHYZOH-YPMHNXCESA-N 2 2 386.485 1.212 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271744 945649759 /nfs/dbraw/zinc/64/97/59/945649759.db2.gz IRXMPBUFLCKROL-TZMCWYRMSA-N 2 2 386.485 1.199 20 0 GDADLP CC[C@@H](C(=O)N1CCC(CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571272031 945654813 /nfs/dbraw/zinc/65/48/13/945654813.db2.gz NGOGZAPEWZQLLX-INIZCTEOSA-N 2 2 386.504 1.277 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281948 945820903 /nfs/dbraw/zinc/82/09/03/945820903.db2.gz CAPJUMQQMMFJHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281948 945820914 /nfs/dbraw/zinc/82/09/14/945820914.db2.gz CAPJUMQQMMFJHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281948 945820924 /nfs/dbraw/zinc/82/09/24/945820924.db2.gz CAPJUMQQMMFJHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281948 945820935 /nfs/dbraw/zinc/82/09/35/945820935.db2.gz CAPJUMQQMMFJHV-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571284400 945899517 /nfs/dbraw/zinc/89/95/17/945899517.db2.gz PSICLLDPAVFRNB-YUELXQCFSA-N 2 2 387.513 1.246 20 0 GDADLP O=C(C[NH+]1CCCC1)N[C@@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccc(-c2nn[nH]n2)s1 ZINC001571284400 945899523 /nfs/dbraw/zinc/89/95/23/945899523.db2.gz PSICLLDPAVFRNB-YUELXQCFSA-N 2 2 387.513 1.246 20 0 GDADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824624754 946869506 /nfs/dbraw/zinc/86/95/06/946869506.db2.gz BXVHEAHMPLLBJV-HNNXBMFYSA-N 2 2 378.484 1.864 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCc2nnc3n2CCC3)CC1 ZINC000826514644 948440391 /nfs/dbraw/zinc/44/03/91/948440391.db2.gz XQBMKIUMMZDLOL-UHFFFAOYSA-N 2 2 393.499 1.201 20 0 GDADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574694282 949074090 /nfs/dbraw/zinc/07/40/90/949074090.db2.gz MXORFTTYZJTBEK-CYBMUJFWSA-N 2 2 382.472 1.504 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001573810908 949581928 /nfs/dbraw/zinc/58/19/28/949581928.db2.gz FQQYHRWHMNJMEB-INIZCTEOSA-N 2 2 382.472 1.384 20 0 GDADLP CC(C)C[C@@H](C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574125504 949590854 /nfs/dbraw/zinc/59/08/54/949590854.db2.gz RBEDERLCMKDBRZ-CJNGLKHVSA-N 2 2 383.460 1.084 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878798 949681410 /nfs/dbraw/zinc/68/14/10/949681410.db2.gz PFDQGDYEVCSCDY-CJNGLKHVSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878798 949681422 /nfs/dbraw/zinc/68/14/22/949681422.db2.gz PFDQGDYEVCSCDY-CJNGLKHVSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1)n1cc[nH+]c1 ZINC001574499134 950295094 /nfs/dbraw/zinc/29/50/94/950295094.db2.gz SFOUWZUXJMUYBX-GFCCVEGCSA-N 2 2 386.485 1.514 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197153 950385336 /nfs/dbraw/zinc/38/53/36/950385336.db2.gz LDJUPAGTQSSDQV-AWEZNQCLSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197153 950385353 /nfs/dbraw/zinc/38/53/53/950385353.db2.gz LDJUPAGTQSSDQV-AWEZNQCLSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197153 950385372 /nfs/dbraw/zinc/38/53/72/950385372.db2.gz LDJUPAGTQSSDQV-AWEZNQCLSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197153 950385391 /nfs/dbraw/zinc/38/53/91/950385391.db2.gz LDJUPAGTQSSDQV-AWEZNQCLSA-N 2 2 389.529 1.304 20 0 GDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001576202580 950429667 /nfs/dbraw/zinc/42/96/67/950429667.db2.gz BLXSZJZOXQOQQG-AWEZNQCLSA-N 2 2 389.529 1.351 20 0 GDADLP CC1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001576202580 950429680 /nfs/dbraw/zinc/42/96/80/950429680.db2.gz BLXSZJZOXQOQQG-AWEZNQCLSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H](C[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202557 950430768 /nfs/dbraw/zinc/43/07/68/950430768.db2.gz AVXCLBKLHHWMEZ-GJZGRUSLSA-N 2 2 386.504 1.111 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205213 950499754 /nfs/dbraw/zinc/49/97/54/950499754.db2.gz HIBPIERFVXJQAU-CABCVRRESA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205213 950499772 /nfs/dbraw/zinc/49/97/72/950499772.db2.gz HIBPIERFVXJQAU-CABCVRRESA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574520960 950761865 /nfs/dbraw/zinc/76/18/65/950761865.db2.gz BRFYSXCUWMFEOW-CABCVRRESA-N 2 2 382.472 1.526 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001574524508 950861378 /nfs/dbraw/zinc/86/13/78/950861378.db2.gz XOXOEPPATVUMKW-KBPBESRZSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574524467 950863893 /nfs/dbraw/zinc/86/38/93/950863893.db2.gz WTCVIMXBAXXTQO-ZIAGYGMSSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575100559 951847009 /nfs/dbraw/zinc/84/70/09/951847009.db2.gz UAJHUGWJUBKOBT-ZDUSSCGKSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201531 952505059 /nfs/dbraw/zinc/50/50/59/952505059.db2.gz IMJPNSAKRBCDRJ-XJKSGUPXSA-N 2 2 380.456 1.159 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000051762524 530681589 /nfs/dbraw/zinc/68/15/89/530681589.db2.gz DONGKCTVAAZDND-ZDUSSCGKSA-N 2 2 390.311 1.439 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174722611 530652802 /nfs/dbraw/zinc/65/28/02/530652802.db2.gz KZVPVLDYVVPSCE-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000174722611 530652805 /nfs/dbraw/zinc/65/28/05/530652805.db2.gz KZVPVLDYVVPSCE-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP Cc1ccsc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000048783889 530671199 /nfs/dbraw/zinc/67/11/99/530671199.db2.gz HMXOJTIDOYQDDM-UHFFFAOYSA-N 2 2 380.539 1.693 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc(Br)ccc1=O ZINC000122934670 530977011 /nfs/dbraw/zinc/97/70/11/530977011.db2.gz DPFWDHRUNNLKSQ-UHFFFAOYSA-N 2 2 399.333 1.095 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1cc(Br)ccc1=O ZINC000122934670 530977014 /nfs/dbraw/zinc/97/70/14/530977014.db2.gz DPFWDHRUNNLKSQ-UHFFFAOYSA-N 2 2 399.333 1.095 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249603555 531088116 /nfs/dbraw/zinc/08/81/16/531088116.db2.gz QXWCENHCFBXLJH-NXHRZFHOSA-N 2 2 375.579 1.620 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249603555 531088119 /nfs/dbraw/zinc/08/81/19/531088119.db2.gz QXWCENHCFBXLJH-NXHRZFHOSA-N 2 2 375.579 1.620 20 0 GDADLP Cc1nn(C)c(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1Br ZINC000261997059 531104814 /nfs/dbraw/zinc/10/48/14/531104814.db2.gz SYLLSDDKXAOIEW-UHFFFAOYSA-N 2 2 394.321 1.565 20 0 GDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000261694272 531096800 /nfs/dbraw/zinc/09/68/00/531096800.db2.gz NZUHWTZWZMBDGT-ZDUSSCGKSA-N 2 2 397.317 1.483 20 0 GDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000261694272 531096801 /nfs/dbraw/zinc/09/68/01/531096801.db2.gz NZUHWTZWZMBDGT-ZDUSSCGKSA-N 2 2 397.317 1.483 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246760935 531069683 /nfs/dbraw/zinc/06/96/83/531069683.db2.gz OVTLLAIEFIBIJD-MSOLQXFVSA-N 2 2 375.579 1.622 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246760935 531069686 /nfs/dbraw/zinc/06/96/86/531069686.db2.gz OVTLLAIEFIBIJD-MSOLQXFVSA-N 2 2 375.579 1.622 20 0 GDADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000435383569 531260322 /nfs/dbraw/zinc/26/03/22/531260322.db2.gz IWDOVUGJBDOJPO-AWEZNQCLSA-N 2 2 382.302 1.854 20 0 GDADLP COc1c(Br)cccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000435383569 531260325 /nfs/dbraw/zinc/26/03/25/531260325.db2.gz IWDOVUGJBDOJPO-AWEZNQCLSA-N 2 2 382.302 1.854 20 0 GDADLP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)CC1 ZINC000442868215 531377574 /nfs/dbraw/zinc/37/75/74/531377574.db2.gz NEPYCWUJEMASTK-UHFFFAOYSA-N 2 2 393.912 1.458 20 0 GDADLP CC[NH+](CC)CCSCC(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC000363566945 531492244 /nfs/dbraw/zinc/49/22/44/531492244.db2.gz CECHSYVACZYPNH-QGZVFWFLSA-N 2 2 375.604 1.386 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489944692 531515090 /nfs/dbraw/zinc/51/50/90/531515090.db2.gz ZWPZQWBAZRWZFG-XJKSGUPXSA-N 2 2 381.318 1.756 20 0 GDADLP CC[NH2+][C@H](C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415806905 531534778 /nfs/dbraw/zinc/53/47/78/531534778.db2.gz PCNKMSGLABWCNE-LLVKDONJSA-N 2 2 386.294 1.800 20 0 GDADLP COc1ncc(Br)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000660057248 531597527 /nfs/dbraw/zinc/59/75/27/531597527.db2.gz NJIVUXXVJKMXAB-UHFFFAOYSA-N 2 2 399.333 1.743 20 0 GDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+]CC2CCSCC2)CC1 ZINC000638605002 531659432 /nfs/dbraw/zinc/65/94/32/531659432.db2.gz NHGNYLZORLGIKV-UHFFFAOYSA-N 2 2 383.583 1.856 20 0 GDADLP C[N@@H+]1CCO[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000561046796 531676384 /nfs/dbraw/zinc/67/63/84/531676384.db2.gz UUNRPPWOGYTMLY-AWEZNQCLSA-N 2 2 397.273 1.598 20 0 GDADLP C[N@H+]1CCO[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000561046796 531676392 /nfs/dbraw/zinc/67/63/92/531676392.db2.gz UUNRPPWOGYTMLY-AWEZNQCLSA-N 2 2 397.273 1.598 20 0 GDADLP Cn1cc[nH+]c1CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662448247 531679650 /nfs/dbraw/zinc/67/96/50/531679650.db2.gz KIWWJRBMSYARNN-MRXNPFEDSA-N 2 2 392.301 1.527 20 0 GDADLP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662441433 531679708 /nfs/dbraw/zinc/67/97/08/531679708.db2.gz IBFIFWGEKLVSSQ-SNVBAGLBSA-N 2 2 388.331 1.954 20 0 GDADLP COCC[N@H+]1CCC[C@@H]1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662441433 531679715 /nfs/dbraw/zinc/67/97/15/531679715.db2.gz IBFIFWGEKLVSSQ-SNVBAGLBSA-N 2 2 388.331 1.954 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000563003749 531797428 /nfs/dbraw/zinc/79/74/28/531797428.db2.gz WNOWSFILXXLBLR-VNHYZAJKSA-N 2 2 390.933 1.303 20 0 GDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000563003749 531797437 /nfs/dbraw/zinc/79/74/37/531797437.db2.gz WNOWSFILXXLBLR-VNHYZAJKSA-N 2 2 390.933 1.303 20 0 GDADLP C[NH2+][C@@H]1CCN(C(=O)NCCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000418027311 531799969 /nfs/dbraw/zinc/79/99/69/531799969.db2.gz XBGDAKOQCGUIHD-CYBMUJFWSA-N 2 2 380.290 1.951 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC(F)(F)C[NH3+])[nH+]c12 ZINC000418028646 531800042 /nfs/dbraw/zinc/80/00/42/531800042.db2.gz YHQNCVYDJUKNNJ-UHFFFAOYSA-N 2 2 390.232 1.841 20 0 GDADLP Cn1ncc(Br)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786493 531852484 /nfs/dbraw/zinc/85/24/84/531852484.db2.gz DKNTYJAOUDXMEH-CQSZACIVSA-N 2 2 386.338 1.069 20 0 GDADLP [NH3+]C/C=C\CNC(=O)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000641867239 531854330 /nfs/dbraw/zinc/85/43/30/531854330.db2.gz OZOYCRLROCZZRX-UPHRSURJSA-N 2 2 382.262 1.965 20 0 GDADLP O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000571073265 531950130 /nfs/dbraw/zinc/95/01/30/531950130.db2.gz OFGOUAMYKJPWBW-KMFMINBZSA-N 2 2 385.555 1.115 20 0 GDADLP COc1cc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000657071540 531997920 /nfs/dbraw/zinc/99/79/20/531997920.db2.gz PXJWYKZPJYLEAM-ZDUSSCGKSA-N 2 2 377.938 1.899 20 0 GDADLP COc1cc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1Cl ZINC000657071540 531997923 /nfs/dbraw/zinc/99/79/23/531997923.db2.gz PXJWYKZPJYLEAM-ZDUSSCGKSA-N 2 2 377.938 1.899 20 0 GDADLP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCCO1 ZINC000631121766 531998726 /nfs/dbraw/zinc/99/87/26/531998726.db2.gz LGHNHNYXLGRSTM-ZDUSSCGKSA-N 2 2 375.922 1.578 20 0 GDADLP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CCCO1 ZINC000631121766 531998730 /nfs/dbraw/zinc/99/87/30/531998730.db2.gz LGHNHNYXLGRSTM-ZDUSSCGKSA-N 2 2 375.922 1.578 20 0 GDADLP CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463412754 532052405 /nfs/dbraw/zinc/05/24/05/532052405.db2.gz JHFKFFXFQJPEHC-KRWDZBQOSA-N 2 2 375.579 1.529 20 0 GDADLP CC[C@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463412754 532052409 /nfs/dbraw/zinc/05/24/09/532052409.db2.gz JHFKFFXFQJPEHC-KRWDZBQOSA-N 2 2 375.579 1.529 20 0 GDADLP CCOC[C@H](C)CS(=O)(=O)N1CCC[N@@H+](C2CC[NH+](CC)CC2)CC1 ZINC000579467508 532060674 /nfs/dbraw/zinc/06/06/74/532060674.db2.gz IIVRRSYYDUKNRI-KRWDZBQOSA-N 2 2 375.579 1.481 20 0 GDADLP CCOC[C@H](C)CS(=O)(=O)N1CCC[N@H+](C2CC[NH+](CC)CC2)CC1 ZINC000579467508 532060678 /nfs/dbraw/zinc/06/06/78/532060678.db2.gz IIVRRSYYDUKNRI-KRWDZBQOSA-N 2 2 375.579 1.481 20 0 GDADLP C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000422910074 532069642 /nfs/dbraw/zinc/06/96/42/532069642.db2.gz PPYSQQLHCRDVJG-CORIIIEPSA-N 2 2 390.265 1.761 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000602275949 532073800 /nfs/dbraw/zinc/07/38/00/532073800.db2.gz MSACEDUTPMYDLI-UHFFFAOYSA-N 2 2 392.301 1.703 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425412991 532137685 /nfs/dbraw/zinc/13/76/85/532137685.db2.gz AQMIMTVKVBOLMU-UHFFFAOYSA-N 2 2 388.603 1.456 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1ccc(S(=O)(=O)N(C)C)s1 ZINC000425412991 532137689 /nfs/dbraw/zinc/13/76/89/532137689.db2.gz AQMIMTVKVBOLMU-UHFFFAOYSA-N 2 2 388.603 1.456 20 0 GDADLP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333316731 532229896 /nfs/dbraw/zinc/22/98/96/532229896.db2.gz MLIUDQROIPRMMO-AAEUAGOBSA-N 2 2 398.305 1.800 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333373366 532231091 /nfs/dbraw/zinc/23/10/91/532231091.db2.gz VKZXGKGLBRQHAW-RISCZKNCSA-N 2 2 396.289 1.506 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCOC4(C[NH2+]C4)C3)[nH+]c12 ZINC000333746120 532248304 /nfs/dbraw/zinc/24/83/04/532248304.db2.gz JKPLJQVUKORGCX-UHFFFAOYSA-N 2 2 394.273 1.289 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000430938003 532258715 /nfs/dbraw/zinc/25/87/15/532258715.db2.gz GHLBJUWEDZXFHP-CJNGLKHVSA-N 2 2 384.318 1.955 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000430938003 532258720 /nfs/dbraw/zinc/25/87/20/532258720.db2.gz GHLBJUWEDZXFHP-CJNGLKHVSA-N 2 2 384.318 1.955 20 0 GDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133775 598886627 /nfs/dbraw/zinc/88/66/27/598886627.db2.gz SFYWJXFUOMGUKQ-HUUCEWRRSA-N 2 2 395.515 1.824 20 0 GDADLP CC[C@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000820908726 599087305 /nfs/dbraw/zinc/08/73/05/599087305.db2.gz PRFJRIYYXMPGJL-OAHLLOKOSA-N 2 2 381.484 1.925 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000823798213 599565993 /nfs/dbraw/zinc/56/59/93/599565993.db2.gz VHBBELHWEBWVOQ-CQSZACIVSA-N 2 2 379.468 1.750 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@@H](C)C[NH+]3CCOCC3)c2c1 ZINC000822194996 599566701 /nfs/dbraw/zinc/56/67/01/599566701.db2.gz CMCJVVRHIQXMSR-CQSZACIVSA-N 2 2 381.484 1.834 20 0 GDADLP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000103492202 644602864 /nfs/dbraw/zinc/60/28/64/644602864.db2.gz ZWRINNWHPTXTID-QGZVFWFLSA-N 2 2 398.345 1.969 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000420386031 645942677 /nfs/dbraw/zinc/94/26/77/645942677.db2.gz UJCYJQHAOGSHCE-OLZOCXBDSA-N 2 2 397.317 1.421 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000420386031 645942679 /nfs/dbraw/zinc/94/26/79/645942679.db2.gz UJCYJQHAOGSHCE-OLZOCXBDSA-N 2 2 397.317 1.421 20 0 GDADLP C[NH+](C)[C@]1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCSC1 ZINC000574713970 651563025 /nfs/dbraw/zinc/56/30/25/651563025.db2.gz NGLCVUPJDBFZRH-KRWDZBQOSA-N 2 2 380.539 1.647 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3ncc(I)cn3)C2)CC1 ZINC000613274774 652958063 /nfs/dbraw/zinc/95/80/63/652958063.db2.gz BUAFFBAEHDRWPW-GFCCVEGCSA-N 2 2 387.269 1.662 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3ncc(I)cn3)C2)CC1 ZINC000613274774 652958064 /nfs/dbraw/zinc/95/80/64/652958064.db2.gz BUAFFBAEHDRWPW-GFCCVEGCSA-N 2 2 387.269 1.662 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000617768766 652976298 /nfs/dbraw/zinc/97/62/98/652976298.db2.gz UDGZJWPCRVBNTO-UHFFFAOYSA-N 2 2 399.333 1.179 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(Br)cc1 ZINC000617768766 652976299 /nfs/dbraw/zinc/97/62/99/652976299.db2.gz UDGZJWPCRVBNTO-UHFFFAOYSA-N 2 2 399.333 1.179 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(F)cc1Br ZINC000617768591 652976358 /nfs/dbraw/zinc/97/63/58/652976358.db2.gz KVNDRVJZQOGMTG-UHFFFAOYSA-N 2 2 390.297 1.967 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(F)cc1Br ZINC000617768591 652976360 /nfs/dbraw/zinc/97/63/60/652976360.db2.gz KVNDRVJZQOGMTG-UHFFFAOYSA-N 2 2 390.297 1.967 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1Br ZINC000639072681 653545488 /nfs/dbraw/zinc/54/54/88/653545488.db2.gz YXQJPPNMSASTHP-NSHDSACASA-N 2 2 385.287 1.398 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000655136514 653959206 /nfs/dbraw/zinc/95/92/06/653959206.db2.gz GQECKPCOJMLFNO-ZDUSSCGKSA-N 2 2 396.333 1.876 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000655136514 653959207 /nfs/dbraw/zinc/95/92/07/653959207.db2.gz GQECKPCOJMLFNO-ZDUSSCGKSA-N 2 2 396.333 1.876 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cnc(F)c(Br)c3)C2)CC1 ZINC000847486546 655470146 /nfs/dbraw/zinc/47/01/46/655470146.db2.gz ZGLBROULSSEPJQ-GFCCVEGCSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cnc(F)c(Br)c3)C2)CC1 ZINC000847486546 655470148 /nfs/dbraw/zinc/47/01/48/655470148.db2.gz ZGLBROULSSEPJQ-GFCCVEGCSA-N 2 2 385.281 1.882 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Br)nc2n1CCC2 ZINC000825891653 655494662 /nfs/dbraw/zinc/49/46/62/655494662.db2.gz NVFWVSWLNVLMFV-UHFFFAOYSA-N 2 2 398.349 1.690 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(Br)nc2n1CCC2 ZINC000825891653 655494664 /nfs/dbraw/zinc/49/46/64/655494664.db2.gz NVFWVSWLNVLMFV-UHFFFAOYSA-N 2 2 398.349 1.690 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ccc(Br)cc1=O ZINC000865800201 655927200 /nfs/dbraw/zinc/92/72/00/655927200.db2.gz WFNRVEWTQJPSLL-UHFFFAOYSA-N 2 2 399.333 1.095 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cn1ccc(Br)cc1=O ZINC000865800201 655927202 /nfs/dbraw/zinc/92/72/02/655927202.db2.gz WFNRVEWTQJPSLL-UHFFFAOYSA-N 2 2 399.333 1.095 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000866708677 655955756 /nfs/dbraw/zinc/95/57/56/655955756.db2.gz NKRVVGXZMLLYJJ-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000866708677 655955757 /nfs/dbraw/zinc/95/57/57/655955757.db2.gz NKRVVGXZMLLYJJ-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000870896083 656254181 /nfs/dbraw/zinc/25/41/81/656254181.db2.gz FYDRRUSUDIMFEP-SJORKVTESA-N 2 2 397.361 1.837 20 0 GDADLP O=S(=O)(NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1)C1C[NH2+]C1 ZINC000923607833 656576215 /nfs/dbraw/zinc/57/62/15/656576215.db2.gz DLDQCKADKNLTII-UHFFFAOYSA-N 2 2 378.325 1.849 20 0 GDADLP COC[C@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[NH2+]CCO1 ZINC000876890272 656637025 /nfs/dbraw/zinc/63/70/25/656637025.db2.gz ZSPBWOGJJITUHY-INIZCTEOSA-N 2 2 386.290 1.454 20 0 GDADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152608 656656805 /nfs/dbraw/zinc/65/68/05/656656805.db2.gz OQAXVTGVHJHDRV-TWKFVSLJSA-N 2 2 375.450 1.232 20 0 GDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435239 656674641 /nfs/dbraw/zinc/67/46/41/656674641.db2.gz ZINQZTDBBWYOKY-RDJZCZTQSA-N 2 2 384.318 1.850 20 0 GDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435239 656674645 /nfs/dbraw/zinc/67/46/45/656674645.db2.gz ZINQZTDBBWYOKY-RDJZCZTQSA-N 2 2 384.318 1.850 20 0 GDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219067 656875621 /nfs/dbraw/zinc/87/56/21/656875621.db2.gz TWTCWKMGYDWUTM-ZACQAIPSSA-N 2 2 387.318 1.328 20 0 GDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@]1(c2ccc(Br)cc2)C[C@@H](O)C1 ZINC000880219067 656875624 /nfs/dbraw/zinc/87/56/24/656875624.db2.gz TWTCWKMGYDWUTM-ZACQAIPSSA-N 2 2 387.318 1.328 20 0 GDADLP OC[C@@]1(C(F)(F)F)CC[NH+](CCC[N@H+]2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC000886808813 657698171 /nfs/dbraw/zinc/69/81/71/657698171.db2.gz PSMFOEGXIBMMLQ-CHWSQXEVSA-N 2 2 378.357 1.870 20 0 GDADLP OC[C@@]1(C(F)(F)F)CC[NH+](CCC[N@@H+]2CC[C@@](CO)(C(F)(F)F)C2)C1 ZINC000886808813 657698182 /nfs/dbraw/zinc/69/81/82/657698182.db2.gz PSMFOEGXIBMMLQ-CHWSQXEVSA-N 2 2 378.357 1.870 20 0 GDADLP C[NH+]1CCN(c2cc(C[NH2+]Cc3ncc(Br)cc3O)ccn2)CC1 ZINC000892595531 658336602 /nfs/dbraw/zinc/33/66/02/658336602.db2.gz VFFLIBORGAEITC-UHFFFAOYSA-N 2 2 392.301 1.986 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ncc(Br)cn1 ZINC000898401426 658934173 /nfs/dbraw/zinc/93/41/73/658934173.db2.gz QQLBIQSVSGMHLN-UHFFFAOYSA-N 2 2 399.337 1.407 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ncc(Br)cn1 ZINC000898401426 658934176 /nfs/dbraw/zinc/93/41/76/658934176.db2.gz QQLBIQSVSGMHLN-UHFFFAOYSA-N 2 2 399.337 1.407 20 0 GDADLP CCn1c(Br)ncc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674253 659134546 /nfs/dbraw/zinc/13/45/46/659134546.db2.gz KHCHTBKSGFQACJ-LBPRGKRZSA-N 2 2 384.322 1.564 20 0 GDADLP CCn1c(Br)ncc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674253 659134552 /nfs/dbraw/zinc/13/45/52/659134552.db2.gz KHCHTBKSGFQACJ-LBPRGKRZSA-N 2 2 384.322 1.564 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)CN3CSCCSC3)CC2)CC1 ZINC000911191081 659998132 /nfs/dbraw/zinc/99/81/32/659998132.db2.gz YGPXRNHJNWWCJN-UHFFFAOYSA-N 2 2 386.631 1.702 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)CN3CSCCSC3)CC2)CC1 ZINC000911191081 659998136 /nfs/dbraw/zinc/99/81/36/659998136.db2.gz YGPXRNHJNWWCJN-UHFFFAOYSA-N 2 2 386.631 1.702 20 0 GDADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@@H]21 ZINC001164671523 719453673 /nfs/dbraw/zinc/45/36/73/719453673.db2.gz PYUVZGSZSDUIIR-RBUKOAKNSA-N 2 2 398.486 1.462 20 0 GDADLP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@@H]21 ZINC001164671523 719453679 /nfs/dbraw/zinc/45/36/79/719453679.db2.gz PYUVZGSZSDUIIR-RBUKOAKNSA-N 2 2 398.486 1.462 20 0 GDADLP C[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@H]21 ZINC001164668544 719465810 /nfs/dbraw/zinc/46/58/10/719465810.db2.gz QNYOTXDQFRDYKR-MOPGFXCFSA-N 2 2 380.496 1.322 20 0 GDADLP C[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@H]21 ZINC001164668544 719465826 /nfs/dbraw/zinc/46/58/26/719465826.db2.gz QNYOTXDQFRDYKR-MOPGFXCFSA-N 2 2 380.496 1.322 20 0 GDADLP CCN1C(=O)[C@]2(CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]32)N=C1C ZINC001164871669 721230786 /nfs/dbraw/zinc/23/07/86/721230786.db2.gz KHMKFHAGYAJSDA-JBYIUTFZSA-N 2 2 396.539 1.699 20 0 GDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164946766 721976439 /nfs/dbraw/zinc/97/64/39/721976439.db2.gz KSUAVQFRAGFYFA-UHFFFAOYSA-N 2 2 392.507 1.093 20 0 GDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc3c(nn1)CC[NH2+]C3)CC2 ZINC001164946766 721976441 /nfs/dbraw/zinc/97/64/41/721976441.db2.gz KSUAVQFRAGFYFA-UHFFFAOYSA-N 2 2 392.507 1.093 20 0 GDADLP Cc1[nH]c2nc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c2c1C ZINC001164996409 722234102 /nfs/dbraw/zinc/23/41/02/722234102.db2.gz GUFBHEMCYHZWHW-UHFFFAOYSA-N 2 2 392.511 1.722 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920478 948901459 /nfs/dbraw/zinc/90/14/59/948901459.db2.gz MCWQBKQGOYGSAT-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920478 948901470 /nfs/dbraw/zinc/90/14/70/948901470.db2.gz MCWQBKQGOYGSAT-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923741 948958486 /nfs/dbraw/zinc/95/84/86/948958486.db2.gz RPKMNMZKWYRHCL-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923741 948958498 /nfs/dbraw/zinc/95/84/98/948958498.db2.gz RPKMNMZKWYRHCL-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879388 949687322 /nfs/dbraw/zinc/68/73/22/949687322.db2.gz QMNMZJHSNAYDLB-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879388 949687332 /nfs/dbraw/zinc/68/73/32/949687332.db2.gz QMNMZJHSNAYDLB-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574478165 949697989 /nfs/dbraw/zinc/69/79/89/949697989.db2.gz YCNXKVSEPXIUAQ-OAHLLOKOSA-N 2 2 382.472 1.605 20 0 GDADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574478165 949698002 /nfs/dbraw/zinc/69/80/02/949698002.db2.gz YCNXKVSEPXIUAQ-OAHLLOKOSA-N 2 2 382.472 1.605 20 0 GDADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574718181 949767119 /nfs/dbraw/zinc/76/71/19/949767119.db2.gz ZCXYVYZFNDHDSE-LSDHHAIUSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205002 950489233 /nfs/dbraw/zinc/48/92/33/950489233.db2.gz FOCASKUGNJYUIJ-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205002 950489241 /nfs/dbraw/zinc/48/92/41/950489241.db2.gz FOCASKUGNJYUIJ-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205002 950489255 /nfs/dbraw/zinc/48/92/55/950489255.db2.gz FOCASKUGNJYUIJ-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205002 950489263 /nfs/dbraw/zinc/48/92/63/950489263.db2.gz FOCASKUGNJYUIJ-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP CC1CC[NH+](CC(=O)NCC2C[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001576205257 950510140 /nfs/dbraw/zinc/51/01/40/950510140.db2.gz IBFNYOLJMWZQJH-UHFFFAOYSA-N 2 2 389.529 1.208 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206306 950569610 /nfs/dbraw/zinc/56/96/10/950569610.db2.gz WFRJZNUTMQNPHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206306 950569627 /nfs/dbraw/zinc/56/96/27/950569627.db2.gz WFRJZNUTMQNPHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206306 950569647 /nfs/dbraw/zinc/56/96/47/950569647.db2.gz WFRJZNUTMQNPHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206306 950569663 /nfs/dbraw/zinc/56/96/63/950569663.db2.gz WFRJZNUTMQNPHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001574513714 950612387 /nfs/dbraw/zinc/61/23/87/950612387.db2.gz WJKOCJUBRIGXRO-CHWSQXEVSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574524652 950868583 /nfs/dbraw/zinc/86/85/83/950868583.db2.gz YEEKQKKDIHDXIF-CHWSQXEVSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068843 951638743 /nfs/dbraw/zinc/63/87/43/951638743.db2.gz CZTZDODZBXFUDS-LLVKDONJSA-N 2 2 386.485 1.037 20 0 GDADLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001575113743 951945352 /nfs/dbraw/zinc/94/53/52/951945352.db2.gz FGFMQIUWLUUKIS-HUUCEWRRSA-N 2 2 382.472 1.556 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)NC[C@H](C)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114028 951951451 /nfs/dbraw/zinc/95/14/51/951951451.db2.gz KVRCIJJVMLBRFQ-ZIAGYGMSSA-N 2 2 382.472 1.311 20 0 GDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188758725 530900874 /nfs/dbraw/zinc/90/08/74/530900874.db2.gz FKSOHTILKYFUMI-KRWDZBQOSA-N 2 2 386.334 1.688 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000261971055 531104095 /nfs/dbraw/zinc/10/40/95/531104095.db2.gz IGRABWRLKBXTQJ-AWEZNQCLSA-N 2 2 394.317 1.916 20 0 GDADLP CCOCC[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261886193 531101804 /nfs/dbraw/zinc/10/18/04/531101804.db2.gz ZSNHPOIBBRMUNM-QGZVFWFLSA-N 2 2 384.318 1.804 20 0 GDADLP Cn1cc(Br)cc1C[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000151528717 531139427 /nfs/dbraw/zinc/13/94/27/531139427.db2.gz RHMRCHRKAGAQQS-UHFFFAOYSA-N 2 2 383.334 1.962 20 0 GDADLP Cn1cc(Br)cc1C[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000151528717 531139429 /nfs/dbraw/zinc/13/94/29/531139429.db2.gz RHMRCHRKAGAQQS-UHFFFAOYSA-N 2 2 383.334 1.962 20 0 GDADLP CC[NH+](CC(N)=O)Cc1cc(Br)ccc1C[N@H+](CC)CC(N)=O ZINC000277576622 531294306 /nfs/dbraw/zinc/29/43/06/531294306.db2.gz VMJCUSXGWUGBGZ-UHFFFAOYSA-N 2 2 385.306 1.064 20 0 GDADLP CC[NH+](CC(N)=O)Cc1cc(Br)ccc1C[N@@H+](CC)CC(N)=O ZINC000277576622 531294310 /nfs/dbraw/zinc/29/43/10/531294310.db2.gz VMJCUSXGWUGBGZ-UHFFFAOYSA-N 2 2 385.306 1.064 20 0 GDADLP CC[NH+](CC(N)=O)Cc1ccc(Br)cc1C[N@H+](CC)CC(N)=O ZINC000277576622 531294315 /nfs/dbraw/zinc/29/43/15/531294315.db2.gz VMJCUSXGWUGBGZ-UHFFFAOYSA-N 2 2 385.306 1.064 20 0 GDADLP CC[NH+](CC(N)=O)Cc1ccc(Br)cc1C[N@@H+](CC)CC(N)=O ZINC000277576622 531294317 /nfs/dbraw/zinc/29/43/17/531294317.db2.gz VMJCUSXGWUGBGZ-UHFFFAOYSA-N 2 2 385.306 1.064 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486472345 531452156 /nfs/dbraw/zinc/45/21/56/531452156.db2.gz SVYADPOFAUFSPQ-ZDUSSCGKSA-N 2 2 384.933 1.256 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486472345 531452160 /nfs/dbraw/zinc/45/21/60/531452160.db2.gz SVYADPOFAUFSPQ-ZDUSSCGKSA-N 2 2 384.933 1.256 20 0 GDADLP O=C(CCn1cc[nH+]c1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000584276044 531613525 /nfs/dbraw/zinc/61/35/25/531613525.db2.gz JSYMLNOXRNIQSU-UHFFFAOYSA-N 2 2 380.246 1.906 20 0 GDADLP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662441432 531680084 /nfs/dbraw/zinc/68/00/84/531680084.db2.gz IBFIFWGEKLVSSQ-JTQLQIEISA-N 2 2 388.331 1.954 20 0 GDADLP COCC[N@H+]1CCC[C@H]1CNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662441432 531680090 /nfs/dbraw/zinc/68/00/90/531680090.db2.gz IBFIFWGEKLVSSQ-JTQLQIEISA-N 2 2 388.331 1.954 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(Br)c[nH]c3=O)CC2)CC1 ZINC000621804897 531757583 /nfs/dbraw/zinc/75/75/83/531757583.db2.gz PBVBZYRMKDGYQI-UHFFFAOYSA-N 2 2 397.317 1.838 20 0 GDADLP C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562809011 531781917 /nfs/dbraw/zinc/78/19/17/531781917.db2.gz OLDSSAMVPJYMFT-RISCZKNCSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562809011 531781922 /nfs/dbraw/zinc/78/19/22/531781922.db2.gz OLDSSAMVPJYMFT-RISCZKNCSA-N 2 2 387.297 1.804 20 0 GDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000595929690 531893093 /nfs/dbraw/zinc/89/30/93/531893093.db2.gz XKILSXPMXSZJSB-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000569474441 531922711 /nfs/dbraw/zinc/92/27/11/531922711.db2.gz FKXFGLDUQCHCHH-CVEARBPZSA-N 2 2 387.318 1.889 20 0 GDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000569474441 531922718 /nfs/dbraw/zinc/92/27/18/531922718.db2.gz FKXFGLDUQCHCHH-CVEARBPZSA-N 2 2 387.318 1.889 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)n1C ZINC000419732943 531963888 /nfs/dbraw/zinc/96/38/88/531963888.db2.gz TVEGNOAABDCEHP-UHFFFAOYSA-N 2 2 389.884 1.347 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655701443 531975409 /nfs/dbraw/zinc/97/54/09/531975409.db2.gz FHQOMFLNRVSEOT-INIZCTEOSA-N 2 2 387.933 1.461 20 0 GDADLP NC(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655764415 531975995 /nfs/dbraw/zinc/97/59/95/531975995.db2.gz HAIVGNMBLLHAAX-CVEARBPZSA-N 2 2 382.302 1.818 20 0 GDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2ccncc2Br)C1=O ZINC000631110366 531999111 /nfs/dbraw/zinc/99/91/11/531999111.db2.gz IDNSBDZKLXBVMK-AWEZNQCLSA-N 2 2 378.274 1.858 20 0 GDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000576272107 532020449 /nfs/dbraw/zinc/02/04/49/532020449.db2.gz QXLFVTDGHMPHSW-YRGRVCCFSA-N 2 2 378.300 1.827 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@H]3CCC3(F)F)CC2)CC1 ZINC000632489775 532033340 /nfs/dbraw/zinc/03/33/40/532033340.db2.gz SJRHJKIVLJRPSS-OAHLLOKOSA-N 2 2 379.517 1.854 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@H]3CCC3(F)F)CC2)CC1 ZINC000632489775 532033344 /nfs/dbraw/zinc/03/33/44/532033344.db2.gz SJRHJKIVLJRPSS-OAHLLOKOSA-N 2 2 379.517 1.854 20 0 GDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000422912331 532069965 /nfs/dbraw/zinc/06/99/65/532069965.db2.gz WBCJZZQKQRAHCL-OSAQELSMSA-N 2 2 390.265 1.619 20 0 GDADLP CC1(C)[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333284847 532228135 /nfs/dbraw/zinc/22/81/35/532228135.db2.gz IFOBJRZDTXSOEB-CYBMUJFWSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333316735 532230386 /nfs/dbraw/zinc/23/03/86/532230386.db2.gz MLIUDQROIPRMMO-WCQYABFASA-N 2 2 398.305 1.800 20 0 GDADLP [NH3+][C@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333410883 532233373 /nfs/dbraw/zinc/23/33/73/532233373.db2.gz ZVRLTEUISQDTJJ-NSHDSACASA-N 2 2 384.278 1.636 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000826183335 607474084 /nfs/dbraw/zinc/47/40/84/607474084.db2.gz MJOKTCMNMYPCGV-UHFFFAOYSA-N 2 2 399.543 1.866 20 0 GDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(OCc2ccccc2-c2nn[nH]n2)c1 ZINC000825855823 607753551 /nfs/dbraw/zinc/75/35/51/607753551.db2.gz JLGSAHFCDMEUFP-OAQYLSRUSA-N 2 2 396.495 1.848 20 0 GDADLP O=C(CC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CCN(c2cccc[nH+]2)CC1 ZINC000822968877 606415189 /nfs/dbraw/zinc/41/51/89/606415189.db2.gz DEUWTOLJQZTMHX-UHFFFAOYSA-N 2 2 398.496 1.152 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncnc2c1C[N@H+](C)CC2 ZINC000821586042 607114055 /nfs/dbraw/zinc/11/40/55/607114055.db2.gz GUOUDHWASVQHGD-UHFFFAOYSA-N 2 2 393.499 1.213 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)c1ncnc2c1C[N@@H+](C)CC2 ZINC000821586042 607114056 /nfs/dbraw/zinc/11/40/56/607114056.db2.gz GUOUDHWASVQHGD-UHFFFAOYSA-N 2 2 393.499 1.213 20 0 GDADLP CC[N@H+](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825390488 608020917 /nfs/dbraw/zinc/02/09/17/608020917.db2.gz GYFULIDDLCCYDW-INIZCTEOSA-N 2 2 397.487 1.373 20 0 GDADLP CC[N@@H+](C)[C@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825390488 608020918 /nfs/dbraw/zinc/02/09/18/608020918.db2.gz GYFULIDDLCCYDW-INIZCTEOSA-N 2 2 397.487 1.373 20 0 GDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826330895 608448552 /nfs/dbraw/zinc/44/85/52/608448552.db2.gz MNRKKNVRAOKNOV-UHFFFAOYSA-N 2 2 380.500 1.970 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826390214 608453924 /nfs/dbraw/zinc/45/39/24/608453924.db2.gz TVMMPBNYZZSJAK-GOSISDBHSA-N 2 2 399.499 1.050 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826390214 608453925 /nfs/dbraw/zinc/45/39/25/608453925.db2.gz TVMMPBNYZZSJAK-GOSISDBHSA-N 2 2 399.499 1.050 20 0 GDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000826033532 608683183 /nfs/dbraw/zinc/68/31/83/608683183.db2.gz GGIATSOGNYSWFY-UHFFFAOYSA-N 2 2 389.529 1.304 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849758 608846191 /nfs/dbraw/zinc/84/61/91/608846191.db2.gz MNXVHDNSUCONMU-DJIMGWMZSA-N 2 2 382.472 1.198 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849758 608846192 /nfs/dbraw/zinc/84/61/92/608846192.db2.gz MNXVHDNSUCONMU-DJIMGWMZSA-N 2 2 382.472 1.198 20 0 GDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593228 609139618 /nfs/dbraw/zinc/13/96/18/609139618.db2.gz POKDHLQSVFRCDM-CXAGYDPISA-N 2 2 389.479 1.599 20 0 GDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593228 609139619 /nfs/dbraw/zinc/13/96/19/609139619.db2.gz POKDHLQSVFRCDM-CXAGYDPISA-N 2 2 389.479 1.599 20 0 GDADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476144 609169627 /nfs/dbraw/zinc/16/96/27/609169627.db2.gz BNESFLOQMJZDSA-KBAYOESNSA-N 2 2 381.484 1.579 20 0 GDADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476144 609169628 /nfs/dbraw/zinc/16/96/28/609169628.db2.gz BNESFLOQMJZDSA-KBAYOESNSA-N 2 2 381.484 1.579 20 0 GDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422954442 646103413 /nfs/dbraw/zinc/10/34/13/646103413.db2.gz ISTRCZSGSIPRHF-CVEARBPZSA-N 2 2 382.302 1.536 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000446046815 647278033 /nfs/dbraw/zinc/27/80/33/647278033.db2.gz OKSVKXWVSGWUES-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc[nH]c(=O)c1Br ZINC000446046815 647278037 /nfs/dbraw/zinc/27/80/37/647278037.db2.gz OKSVKXWVSGWUES-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP Cc1ncsc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000608054089 652814512 /nfs/dbraw/zinc/81/45/12/652814512.db2.gz CXGVKQOLUCKIDJ-UHFFFAOYSA-N 2 2 381.527 1.088 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000629610054 653177815 /nfs/dbraw/zinc/17/78/15/653177815.db2.gz ZZDBAVKWQKHCHC-HIFRSBDPSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Cl ZINC000629610054 653177820 /nfs/dbraw/zinc/17/78/20/653177820.db2.gz ZZDBAVKWQKHCHC-HIFRSBDPSA-N 2 2 390.311 1.663 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000631775054 653252616 /nfs/dbraw/zinc/25/26/16/653252616.db2.gz LCBPEHZKRBHYKX-UHFFFAOYSA-N 2 2 375.485 1.800 20 0 GDADLP C[C@@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857739 653261395 /nfs/dbraw/zinc/26/13/95/653261395.db2.gz MNQVXJLYDRQCCG-NEPJUHHUSA-N 2 2 388.921 1.340 20 0 GDADLP C[C@@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857739 653261396 /nfs/dbraw/zinc/26/13/96/653261396.db2.gz MNQVXJLYDRQCCG-NEPJUHHUSA-N 2 2 388.921 1.340 20 0 GDADLP COc1ncc(Br)c(NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000641324476 653564710 /nfs/dbraw/zinc/56/47/10/653564710.db2.gz TUXOYPVACSNOSA-UHFFFAOYSA-N 2 2 384.322 2.218 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CCC[NH3+] ZINC000647849038 653636174 /nfs/dbraw/zinc/63/61/74/653636174.db2.gz FGKRPEQLMWZGEN-NSHDSACASA-N 2 2 376.910 1.198 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+](C)CCC[NH3+] ZINC000647849038 653636176 /nfs/dbraw/zinc/63/61/76/653636176.db2.gz FGKRPEQLMWZGEN-NSHDSACASA-N 2 2 376.910 1.198 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000649420456 653667230 /nfs/dbraw/zinc/66/72/30/653667230.db2.gz PXOGOTZJHNNYMV-ZDUSSCGKSA-N 2 2 394.277 1.170 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)nn1 ZINC000649420456 653667235 /nfs/dbraw/zinc/66/72/35/653667235.db2.gz PXOGOTZJHNNYMV-ZDUSSCGKSA-N 2 2 394.277 1.170 20 0 GDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480385 654296059 /nfs/dbraw/zinc/29/60/59/654296059.db2.gz RUYULOVDLAPMMQ-CJNGLKHVSA-N 2 2 383.334 1.449 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662492101 654297099 /nfs/dbraw/zinc/29/70/99/654297099.db2.gz QGTPHICXGJIDJZ-BBRMVZONSA-N 2 2 382.302 1.630 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000785426761 654917137 /nfs/dbraw/zinc/91/71/37/654917137.db2.gz IYJGHRSNKOBGRM-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786855 655176892 /nfs/dbraw/zinc/17/68/92/655176892.db2.gz LHPSIVIMOKCZKJ-BZNIZROVSA-N 2 2 378.441 1.409 20 0 GDADLP COc1cc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786855 655176894 /nfs/dbraw/zinc/17/68/94/655176894.db2.gz LHPSIVIMOKCZKJ-BZNIZROVSA-N 2 2 378.441 1.409 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(S(=O)(=O)C(F)F)c1 ZINC000817529897 655353459 /nfs/dbraw/zinc/35/34/59/655353459.db2.gz RQTRAXOWWHCABR-UHFFFAOYSA-N 2 2 377.457 1.248 20 0 GDADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078214 655384781 /nfs/dbraw/zinc/38/47/81/655384781.db2.gz UQMGJGMKOWBQQB-ZWKOTPCHSA-N 2 2 398.345 1.479 20 0 GDADLP CS(=O)(=O)N(CC[N@@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151384 656318892 /nfs/dbraw/zinc/31/88/92/656318892.db2.gz KLWBBUHHMPBYGP-CABCVRRESA-N 2 2 379.448 1.517 20 0 GDADLP CS(=O)(=O)N(CC[N@H+]1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151384 656318894 /nfs/dbraw/zinc/31/88/94/656318894.db2.gz KLWBBUHHMPBYGP-CABCVRRESA-N 2 2 379.448 1.517 20 0 GDADLP CCc1nc(C[NH+]2CCC(CNS(=O)(=O)[C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000923608889 656576165 /nfs/dbraw/zinc/57/61/65/656576165.db2.gz ZDABHXGXXPXEHW-INIZCTEOSA-N 2 2 386.587 1.589 20 0 GDADLP COC(=O)c1cc(Br)ccc1NC(=O)NCC[NH+]1CCC([NH3+])CC1 ZINC000926079228 656734024 /nfs/dbraw/zinc/73/40/24/656734024.db2.gz QRGOQYLRMMMBTR-UHFFFAOYSA-N 2 2 399.289 1.780 20 0 GDADLP CN(C(=O)Cc1c(Br)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167458 656778660 /nfs/dbraw/zinc/77/86/60/656778660.db2.gz JEIHOAHAPFMHFY-AWEZNQCLSA-N 2 2 398.349 1.352 20 0 GDADLP CN(C(=O)Cc1c(Br)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167458 656778663 /nfs/dbraw/zinc/77/86/63/656778663.db2.gz JEIHOAHAPFMHFY-AWEZNQCLSA-N 2 2 398.349 1.352 20 0 GDADLP CN(C(=O)c1ncc(Br)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932575648 657200591 /nfs/dbraw/zinc/20/05/91/657200591.db2.gz FHOXXFOKWYKCAR-AWEZNQCLSA-N 2 2 382.306 1.480 20 0 GDADLP CN(C(=O)c1ncc(Br)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932575648 657200593 /nfs/dbraw/zinc/20/05/93/657200593.db2.gz FHOXXFOKWYKCAR-AWEZNQCLSA-N 2 2 382.306 1.480 20 0 GDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316224 657344880 /nfs/dbraw/zinc/34/48/80/657344880.db2.gz MPEKAPARXZKWOH-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCC[N@@H+]1CCc3sccc3C1)C2 ZINC000891411377 658236997 /nfs/dbraw/zinc/23/69/97/658236997.db2.gz HPOPXERTSUMCOV-UHFFFAOYSA-N 2 2 377.539 1.789 20 0 GDADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCC[N@H+]1CCc3sccc3C1)C2 ZINC000891411377 658237003 /nfs/dbraw/zinc/23/70/03/658237003.db2.gz HPOPXERTSUMCOV-UHFFFAOYSA-N 2 2 377.539 1.789 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OC)c4ccccc4[nH+]3)C2)C1 ZINC001164721871 720268921 /nfs/dbraw/zinc/26/89/21/720268921.db2.gz MKWWHVZDZTYKHM-JOCHJYFZSA-N 2 2 398.507 1.908 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(OC)c4ccccc4[nH+]3)C2)C1 ZINC001164721871 720268944 /nfs/dbraw/zinc/26/89/44/720268944.db2.gz MKWWHVZDZTYKHM-JOCHJYFZSA-N 2 2 398.507 1.908 20 0 GDADLP c1cncc(CO[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164865923 721109835 /nfs/dbraw/zinc/10/98/35/721109835.db2.gz PWMHIKREACAZNF-OALUTQOASA-N 2 2 396.495 1.188 20 0 GDADLP c1cncc(CO[C@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164865923 721109838 /nfs/dbraw/zinc/10/98/38/721109838.db2.gz PWMHIKREACAZNF-OALUTQOASA-N 2 2 396.495 1.188 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164764052 721161165 /nfs/dbraw/zinc/16/11/65/721161165.db2.gz GQUMFGFICVVMBQ-VQTJNVASSA-N 3 2 395.555 1.525 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164764052 721161170 /nfs/dbraw/zinc/16/11/70/721161170.db2.gz GQUMFGFICVVMBQ-VQTJNVASSA-N 3 2 395.555 1.525 20 0 GDADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164875354 721280793 /nfs/dbraw/zinc/28/07/93/721280793.db2.gz VRUUDZHIFFPSNU-UHFFFAOYSA-N 2 2 376.501 1.406 20 0 GDADLP COc1cc(C)c[nH+]c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164875354 721280795 /nfs/dbraw/zinc/28/07/95/721280795.db2.gz VRUUDZHIFFPSNU-UHFFFAOYSA-N 2 2 376.501 1.406 20 0 GDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(N4CCCC4)cc[nH+]2)CC3)CC1 ZINC001164796326 721508311 /nfs/dbraw/zinc/50/83/11/721508311.db2.gz RVIIRUVENDQDDR-UHFFFAOYSA-N 2 2 382.516 1.041 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)[nH+]2)CC1 ZINC001164958109 722047564 /nfs/dbraw/zinc/04/75/64/722047564.db2.gz LMTVXHNIKPTNCO-DLBZAZTESA-N 2 2 381.480 1.777 20 0 GDADLP CC1([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001571272113 945656706 /nfs/dbraw/zinc/65/67/06/945656706.db2.gz PQIUTOVICWTPLL-UHFFFAOYSA-N 2 2 386.485 1.365 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001571309422 946444312 /nfs/dbraw/zinc/44/43/12/946444312.db2.gz ZOPACRZUIBOGRZ-UHFFFAOYSA-N 2 2 391.907 1.618 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC001571309422 946444322 /nfs/dbraw/zinc/44/43/22/946444322.db2.gz ZOPACRZUIBOGRZ-UHFFFAOYSA-N 2 2 391.907 1.618 20 0 GDADLP C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440724 946707926 /nfs/dbraw/zinc/70/79/26/946707926.db2.gz JIHDFGZJCFMMCP-HNAYVOBHSA-N 2 2 386.500 1.615 20 0 GDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NCc1ccco1 ZINC000826412692 948251577 /nfs/dbraw/zinc/25/15/77/948251577.db2.gz ZFXPNGDRRQBINV-UHFFFAOYSA-N 2 2 395.467 1.330 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949068 949481535 /nfs/dbraw/zinc/48/15/35/949481535.db2.gz QDQPLOQPOIXMCG-LBPRGKRZSA-N 2 2 388.501 1.543 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001573810957 949587139 /nfs/dbraw/zinc/58/71/39/949587139.db2.gz FZLDDKWIOKAHDZ-MRXNPFEDSA-N 2 2 382.472 1.384 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882727 949786214 /nfs/dbraw/zinc/78/62/14/949786214.db2.gz NOLQVRTVPDMUPP-TZMCWYRMSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882727 949786228 /nfs/dbraw/zinc/78/62/28/949786228.db2.gz NOLQVRTVPDMUPP-TZMCWYRMSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@@H](CC(=O)N1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574485721 949933083 /nfs/dbraw/zinc/93/30/83/949933083.db2.gz ZOKNGPNMFLQRKI-AWEZNQCLSA-N 2 2 381.444 1.148 20 0 GDADLP C[C@@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574501489 950339078 /nfs/dbraw/zinc/33/90/78/950339078.db2.gz DWNBQCJPVCAJGN-AWEZNQCLSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574516375 950638635 /nfs/dbraw/zinc/63/86/35/950638635.db2.gz IARKLSIYHSWKKI-KBRIMQKVSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574523900 950841434 /nfs/dbraw/zinc/84/14/34/950841434.db2.gz RXSIHOXRXJLWPG-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001575148153 952202449 /nfs/dbraw/zinc/20/24/49/952202449.db2.gz YEMDPXAGNHAWQI-LLVKDONJSA-N 2 2 377.412 1.133 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001571170525 952787201 /nfs/dbraw/zinc/78/72/01/952787201.db2.gz VVUJGRQRUAPPQH-QGZVFWFLSA-N 2 2 380.456 1.186 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001571170525 952787211 /nfs/dbraw/zinc/78/72/11/952787211.db2.gz VVUJGRQRUAPPQH-QGZVFWFLSA-N 2 2 380.456 1.186 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571252256 953326645 /nfs/dbraw/zinc/32/66/45/953326645.db2.gz IZXMDJGYKZHNNL-ZACQAIPSSA-N 2 2 384.488 1.007 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[C@H]1Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001571252256 953326648 /nfs/dbraw/zinc/32/66/48/953326648.db2.gz IZXMDJGYKZHNNL-ZACQAIPSSA-N 2 2 384.488 1.007 20 0 GDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000162276581 530567434 /nfs/dbraw/zinc/56/74/34/530567434.db2.gz WFSBDBCWUBHQTE-QWHCGFSZSA-N 2 2 385.295 1.448 20 0 GDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@@H](C[NH3+])C1 ZINC000162276581 530567436 /nfs/dbraw/zinc/56/74/36/530567436.db2.gz WFSBDBCWUBHQTE-QWHCGFSZSA-N 2 2 385.295 1.448 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168924664 530585340 /nfs/dbraw/zinc/58/53/40/530585340.db2.gz HPRZBRVEZJPGFG-OAHLLOKOSA-N 2 2 388.354 1.014 20 0 GDADLP Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880934 531101707 /nfs/dbraw/zinc/10/17/07/531101707.db2.gz MLJCAILIUCDLNS-OCCSQVGLSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1ncc(Br)c1C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880934 531101710 /nfs/dbraw/zinc/10/17/10/531101710.db2.gz MLJCAILIUCDLNS-OCCSQVGLSA-N 2 2 384.322 1.263 20 0 GDADLP CS(=O)(=O)C1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000262319547 531116206 /nfs/dbraw/zinc/11/62/06/531116206.db2.gz FACHKSVDBJPEQW-AWEZNQCLSA-N 2 2 385.555 1.168 20 0 GDADLP C[C@H]([NH2+]CC(=O)NCC(C)(C)[NH+]1CCOCC1)c1ccc(Br)cn1 ZINC000482956794 531405377 /nfs/dbraw/zinc/40/53/77/531405377.db2.gz HDXVOIVPIPBNON-ZDUSSCGKSA-N 2 2 399.333 1.722 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)Cn1cc[nH+]c1 ZINC000414292993 531437909 /nfs/dbraw/zinc/43/79/09/531437909.db2.gz CNDOUJBDFIUBKH-NSHDSACASA-N 2 2 387.303 1.719 20 0 GDADLP Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363031956 531468943 /nfs/dbraw/zinc/46/89/43/531468943.db2.gz YBLVPIUBQQBPHX-NSHDSACASA-N 2 2 394.321 1.706 20 0 GDADLP Cn1nc(Br)c2c1ncnc2N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363031956 531468946 /nfs/dbraw/zinc/46/89/46/531468946.db2.gz YBLVPIUBQQBPHX-NSHDSACASA-N 2 2 394.321 1.706 20 0 GDADLP CO[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)[C@H](C[NH3+])C1 ZINC000415786036 531530307 /nfs/dbraw/zinc/53/03/07/531530307.db2.gz HXYUFRIRMBYHFG-WDEREUQCSA-N 2 2 386.294 1.880 20 0 GDADLP Brc1cc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000491142312 531550055 /nfs/dbraw/zinc/55/00/55/531550055.db2.gz WRRROXLISGZTDI-CQSZACIVSA-N 2 2 382.302 1.700 20 0 GDADLP C[NH2+]C[C@@H](C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415800946 531533585 /nfs/dbraw/zinc/53/35/85/531533585.db2.gz FOTQCXSEIYDUGF-LLVKDONJSA-N 2 2 386.294 1.658 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(I)cc1 ZINC000295186451 531535443 /nfs/dbraw/zinc/53/54/43/531535443.db2.gz NJXCPZQVCFNJSW-CQSZACIVSA-N 2 2 387.265 1.721 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(I)cc1 ZINC000295186451 531535446 /nfs/dbraw/zinc/53/54/46/531535446.db2.gz NJXCPZQVCFNJSW-CQSZACIVSA-N 2 2 387.265 1.721 20 0 GDADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494244497 531591493 /nfs/dbraw/zinc/59/14/93/531591493.db2.gz JFZSBJKTWINTKC-UHFFFAOYSA-N 2 2 376.320 1.079 20 0 GDADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000494244497 531591499 /nfs/dbraw/zinc/59/14/99/531591499.db2.gz JFZSBJKTWINTKC-UHFFFAOYSA-N 2 2 376.320 1.079 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000662654419 531691736 /nfs/dbraw/zinc/69/17/36/531691736.db2.gz CJTBRGRUAOMYRI-NVXWUHKLSA-N 2 2 382.302 1.556 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000662654417 531692629 /nfs/dbraw/zinc/69/26/29/531692629.db2.gz CJTBRGRUAOMYRI-DOTOQJQBSA-N 2 2 382.302 1.556 20 0 GDADLP C[NH+](C)C[C@@H](NS(=O)(=O)CCC[NH+]1CCOCC1)c1ccc(Cl)cc1 ZINC000282796170 531797258 /nfs/dbraw/zinc/79/72/58/531797258.db2.gz YXXYKCXMOQRIGZ-QGZVFWFLSA-N 2 2 389.949 1.584 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]([NH3+])C3CC3)[nH+]c12 ZINC000418021459 531800103 /nfs/dbraw/zinc/80/01/03/531800103.db2.gz PPYQHSKUNHNDLM-CQSZACIVSA-N 2 2 380.290 1.984 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563440118 531842940 /nfs/dbraw/zinc/84/29/40/531842940.db2.gz HNXPUOBKZAMOFG-HUUCEWRRSA-N 2 2 385.295 1.196 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000563440118 531842946 /nfs/dbraw/zinc/84/29/46/531842946.db2.gz HNXPUOBKZAMOFG-HUUCEWRRSA-N 2 2 385.295 1.196 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000563592604 531857175 /nfs/dbraw/zinc/85/71/75/531857175.db2.gz BWEMNPONARMSEA-AAEUAGOBSA-N 2 2 385.331 1.880 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000563592604 531857182 /nfs/dbraw/zinc/85/71/82/531857182.db2.gz BWEMNPONARMSEA-AAEUAGOBSA-N 2 2 385.331 1.880 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000563704632 531862610 /nfs/dbraw/zinc/86/26/10/531862610.db2.gz ADIDKDUREPFBIV-IIYDPXPESA-N 2 2 399.329 1.944 20 0 GDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000563704632 531862613 /nfs/dbraw/zinc/86/26/13/531862613.db2.gz ADIDKDUREPFBIV-IIYDPXPESA-N 2 2 399.329 1.944 20 0 GDADLP CN(C)C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983052 531921262 /nfs/dbraw/zinc/92/12/62/531921262.db2.gz CNUNLHCSIVSKMJ-QAPCUYQASA-N 2 2 389.371 1.794 20 0 GDADLP CN1CC[NH+](C[C@H](O)CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000625983052 531921268 /nfs/dbraw/zinc/92/12/68/531921268.db2.gz CNUNLHCSIVSKMJ-QAPCUYQASA-N 2 2 389.371 1.794 20 0 GDADLP C[NH+](C)C[C@@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983482 531921555 /nfs/dbraw/zinc/92/15/55/531921555.db2.gz RJRXBYUSDUOAID-WMLDXEAASA-N 2 2 376.328 1.879 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCCn3cc(Br)cn3)C2)CC1 ZINC000368619481 531926069 /nfs/dbraw/zinc/92/60/69/531926069.db2.gz PHDYYPQLLTVCOZ-CQSZACIVSA-N 2 2 399.337 1.113 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCCn3cc(Br)cn3)C2)CC1 ZINC000368619481 531926074 /nfs/dbraw/zinc/92/60/74/531926074.db2.gz PHDYYPQLLTVCOZ-CQSZACIVSA-N 2 2 399.337 1.113 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573001364 531973292 /nfs/dbraw/zinc/97/32/92/531973292.db2.gz NGOKWQDRRBQMNG-LSDHHAIUSA-N 2 2 396.329 1.828 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573001364 531973296 /nfs/dbraw/zinc/97/32/96/531973296.db2.gz NGOKWQDRRBQMNG-LSDHHAIUSA-N 2 2 396.329 1.828 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)n1C ZINC000657562125 532009190 /nfs/dbraw/zinc/00/91/90/532009190.db2.gz CEBZPESRSDCENU-UHFFFAOYSA-N 2 2 381.278 1.163 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1F ZINC000459522213 532019835 /nfs/dbraw/zinc/01/98/35/532019835.db2.gz GEWGMTMGBRRQRD-UHFFFAOYSA-N 2 2 375.897 1.974 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@](C)(O)C[NH+](C)C)[nH+]c12 ZINC000274214200 532195073 /nfs/dbraw/zinc/19/50/73/532195073.db2.gz NTWFNQSKJFLHPG-INIZCTEOSA-N 2 2 398.305 1.517 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428036003 532196793 /nfs/dbraw/zinc/19/67/93/532196793.db2.gz QMDKIQYCGMZUQB-PBHICJAKSA-N 2 2 396.329 1.970 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428036003 532196796 /nfs/dbraw/zinc/19/67/96/532196796.db2.gz QMDKIQYCGMZUQB-PBHICJAKSA-N 2 2 396.329 1.970 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@@](C)(C[NH3+])C2CC2)ccc1Cl ZINC000430581870 532252331 /nfs/dbraw/zinc/25/23/31/532252331.db2.gz IJCZVQBIEQHYBY-INIZCTEOSA-N 2 2 388.921 1.246 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000738432761 598963650 /nfs/dbraw/zinc/96/36/50/598963650.db2.gz LNAIJCMBPCVLQP-DLBZAZTESA-N 2 2 393.499 1.359 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000738432761 598963652 /nfs/dbraw/zinc/96/36/52/598963652.db2.gz LNAIJCMBPCVLQP-DLBZAZTESA-N 2 2 393.499 1.359 20 0 GDADLP NC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735359 599089782 /nfs/dbraw/zinc/08/97/82/599089782.db2.gz CJYRUICOVVBUPU-LJQANCHMSA-N 2 2 391.479 1.779 20 0 GDADLP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736533701 598508618 /nfs/dbraw/zinc/50/86/18/598508618.db2.gz IVCBDGBVJTVPRU-UHFFFAOYSA-N 2 2 377.518 1.921 20 0 GDADLP CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851501 598742855 /nfs/dbraw/zinc/74/28/55/598742855.db2.gz JMPNFRRWQVPUQM-IBGZPJMESA-N 2 2 397.527 1.426 20 0 GDADLP CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851501 598742856 /nfs/dbraw/zinc/74/28/56/598742856.db2.gz JMPNFRRWQVPUQM-IBGZPJMESA-N 2 2 397.527 1.426 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[N@@H+]3CCOC(C)(C)C3)c2c1 ZINC000822196267 599514315 /nfs/dbraw/zinc/51/43/15/599514315.db2.gz BOMCOIICHZVOJR-UHFFFAOYSA-N 2 2 381.484 1.976 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[N@H+]3CCOC(C)(C)C3)c2c1 ZINC000822196267 599514317 /nfs/dbraw/zinc/51/43/17/599514317.db2.gz BOMCOIICHZVOJR-UHFFFAOYSA-N 2 2 381.484 1.976 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410543 607478387 /nfs/dbraw/zinc/47/83/87/607478387.db2.gz QFNFODPXNMUSOU-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410543 607478388 /nfs/dbraw/zinc/47/83/88/607478388.db2.gz QFNFODPXNMUSOU-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410543 607478390 /nfs/dbraw/zinc/47/83/90/607478390.db2.gz QFNFODPXNMUSOU-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410543 607478392 /nfs/dbraw/zinc/47/83/92/607478392.db2.gz QFNFODPXNMUSOU-IEBWSBKVSA-N 2 2 395.511 1.432 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826330623 608453663 /nfs/dbraw/zinc/45/36/63/608453663.db2.gz BCDUASBKZGYTDI-UHFFFAOYSA-N 2 2 389.485 1.167 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1cccc(-c2nn[nH]n2)c1 ZINC000826330623 608453665 /nfs/dbraw/zinc/45/36/65/608453665.db2.gz BCDUASBKZGYTDI-UHFFFAOYSA-N 2 2 389.485 1.167 20 0 GDADLP Cc1nnc2n1C[C@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826337615 609185802 /nfs/dbraw/zinc/18/58/02/609185802.db2.gz USXDLCQTZNJQEM-GOSISDBHSA-N 2 2 393.499 1.336 20 0 GDADLP CCS(=O)(=O)c1ccc(Cl)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000118333271 644652831 /nfs/dbraw/zinc/65/28/31/644652831.db2.gz XRWCGGUXTCTOOF-UHFFFAOYSA-N 2 2 389.949 1.699 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000420386033 645942665 /nfs/dbraw/zinc/94/26/65/645942665.db2.gz UJCYJQHAOGSHCE-STQMWFEESA-N 2 2 397.317 1.421 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@@H]1C[NH3+] ZINC000420386033 645942667 /nfs/dbraw/zinc/94/26/67/645942667.db2.gz UJCYJQHAOGSHCE-STQMWFEESA-N 2 2 397.317 1.421 20 0 GDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000423075364 646111734 /nfs/dbraw/zinc/11/17/34/646111734.db2.gz OJVZGTODAPHRBE-DOPJRALCSA-N 2 2 383.330 1.957 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCS[C@H](C(F)(F)F)C3)C2)CC1 ZINC000918907204 660242645 /nfs/dbraw/zinc/24/26/45/660242645.db2.gz WKDATVSIOPEZTJ-JSGCOSHPSA-N 2 2 380.480 1.844 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCS[C@H](C(F)(F)F)C3)C2)CC1 ZINC000918907204 660242646 /nfs/dbraw/zinc/24/26/46/660242646.db2.gz WKDATVSIOPEZTJ-JSGCOSHPSA-N 2 2 380.480 1.844 20 0 GDADLP Cc1ccc(Br)c(S(=O)(=O)NCC[NH2+]C2CC[NH+](C)CC2)c1 ZINC000513107357 648421350 /nfs/dbraw/zinc/42/13/50/648421350.db2.gz VGORWNVIOYIRQQ-UHFFFAOYSA-N 2 2 390.347 1.720 20 0 GDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Br ZINC000513970421 648448305 /nfs/dbraw/zinc/44/83/05/648448305.db2.gz PRASIAWQSDXJEL-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Br ZINC000513970421 648448307 /nfs/dbraw/zinc/44/83/07/648448307.db2.gz PRASIAWQSDXJEL-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000644604177 653599578 /nfs/dbraw/zinc/59/95/78/653599578.db2.gz NDYPGMDKRBYTJL-INIZCTEOSA-N 2 2 383.539 1.109 20 0 GDADLP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000644604177 653599579 /nfs/dbraw/zinc/59/95/79/653599579.db2.gz NDYPGMDKRBYTJL-INIZCTEOSA-N 2 2 383.539 1.109 20 0 GDADLP COc1cc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cnc1Br ZINC000788175792 654985696 /nfs/dbraw/zinc/98/56/96/654985696.db2.gz YZEAPWLEBCFKJP-UHFFFAOYSA-N 2 2 399.333 1.951 20 0 GDADLP COc1cc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cnc1Br ZINC000788175792 654985698 /nfs/dbraw/zinc/98/56/98/654985698.db2.gz YZEAPWLEBCFKJP-UHFFFAOYSA-N 2 2 399.333 1.951 20 0 GDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000765416767 655239600 /nfs/dbraw/zinc/23/96/00/655239600.db2.gz LEPWARYMYFTEPJ-GFCCVEGCSA-N 2 2 375.441 1.108 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000863570769 655875936 /nfs/dbraw/zinc/87/59/36/655875936.db2.gz KFVJMXQSAPZMDB-LSDHHAIUSA-N 2 2 388.281 1.551 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000863570769 655875938 /nfs/dbraw/zinc/87/59/38/655875938.db2.gz KFVJMXQSAPZMDB-LSDHHAIUSA-N 2 2 388.281 1.551 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@@H](O)c1c[nH+]c[nH]1 ZINC000865041187 655910578 /nfs/dbraw/zinc/91/05/78/655910578.db2.gz NRIWUZHIIRLZEZ-HNNXBMFYSA-N 2 2 381.274 1.796 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000866707867 655955581 /nfs/dbraw/zinc/95/55/81/655955581.db2.gz BTZUAVHERHQXET-DFBGVHRSSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000866707867 655955582 /nfs/dbraw/zinc/95/55/82/655955582.db2.gz BTZUAVHERHQXET-DFBGVHRSSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000866708423 655955728 /nfs/dbraw/zinc/95/57/28/655955728.db2.gz MWGHBRDTWQDYBS-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000866708423 655955729 /nfs/dbraw/zinc/95/57/29/655955729.db2.gz MWGHBRDTWQDYBS-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP COC1CC[NH+](C(C)(C)C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000925000836 656691279 /nfs/dbraw/zinc/69/12/79/656691279.db2.gz LPEQUVLKLIAMJZ-OAHLLOKOSA-N 2 2 375.579 1.526 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)[nH]c1=O ZINC000932714174 657212835 /nfs/dbraw/zinc/21/28/35/657212835.db2.gz ZLMOLXASSRCLDL-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ccc(Br)[nH]c1=O ZINC000932714174 657212844 /nfs/dbraw/zinc/21/28/44/657212844.db2.gz ZLMOLXASSRCLDL-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000884234644 657339142 /nfs/dbraw/zinc/33/91/42/657339142.db2.gz AEPVUMGCSPBGFS-XJKSGUPXSA-N 2 2 383.334 1.449 20 0 GDADLP C[NH+](C)C[C@H](O)CNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000891744791 658268559 /nfs/dbraw/zinc/26/85/59/658268559.db2.gz AQYRIRMQSKIBCB-CYBMUJFWSA-N 2 2 391.273 1.912 20 0 GDADLP FC(F)(F)c1nc(Br)c2n1CC[N@@H+](CCN1CC[NH2+]CC1)C2 ZINC000903831573 659382971 /nfs/dbraw/zinc/38/29/71/659382971.db2.gz JXQVGSDBNBAXOM-UHFFFAOYSA-N 2 2 382.228 1.385 20 0 GDADLP FC(F)(F)c1nc(Br)c2n1CC[N@H+](CCN1CC[NH2+]CC1)C2 ZINC000903831573 659382974 /nfs/dbraw/zinc/38/29/74/659382974.db2.gz JXQVGSDBNBAXOM-UHFFFAOYSA-N 2 2 382.228 1.385 20 0 GDADLP CCOC(=O)c1cc2n(n1)CCCN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)C2 ZINC001164410187 718866426 /nfs/dbraw/zinc/86/64/26/718866426.db2.gz YMVFURRMUKHTCS-UHFFFAOYSA-N 2 2 384.484 1.617 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740720 720810093 /nfs/dbraw/zinc/81/00/93/720810093.db2.gz AGGAOVFEVXITIU-FGTMMUONSA-N 2 2 382.516 1.514 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740720 720810096 /nfs/dbraw/zinc/81/00/96/720810096.db2.gz AGGAOVFEVXITIU-FGTMMUONSA-N 2 2 382.516 1.514 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CN(Cc5ccncc5)C(=O)[C@@H]4C3)[nH+]2)CC1 ZINC001164848493 720812116 /nfs/dbraw/zinc/81/21/16/720812116.db2.gz CTNWFLAZXVWJPK-RBUKOAKNSA-N 2 2 392.507 1.323 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2C1 ZINC001164854095 720864088 /nfs/dbraw/zinc/86/40/88/720864088.db2.gz JDDWOHVFCZUMNK-OALUTQOASA-N 3 2 389.544 1.007 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2C1 ZINC001164854095 720864089 /nfs/dbraw/zinc/86/40/89/720864089.db2.gz JDDWOHVFCZUMNK-OALUTQOASA-N 3 2 389.544 1.007 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1 ZINC001164854094 720864372 /nfs/dbraw/zinc/86/43/72/720864372.db2.gz JDDWOHVFCZUMNK-MOPGFXCFSA-N 3 2 389.544 1.007 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1 ZINC001164854094 720864373 /nfs/dbraw/zinc/86/43/73/720864373.db2.gz JDDWOHVFCZUMNK-MOPGFXCFSA-N 3 2 389.544 1.007 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164771778 721153469 /nfs/dbraw/zinc/15/34/69/721153469.db2.gz TXGROHHEZHPMMQ-CABCVRRESA-N 2 2 395.467 1.436 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[N@H+](Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164771778 721153479 /nfs/dbraw/zinc/15/34/79/721153479.db2.gz TXGROHHEZHPMMQ-CABCVRRESA-N 2 2 395.467 1.436 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4OCC[C@]4(C(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164884200 721343066 /nfs/dbraw/zinc/34/30/66/721343066.db2.gz NFALIIUFXMZKRK-GCJKJVERSA-N 2 2 399.539 1.345 20 0 GDADLP CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@@H]2C1 ZINC001164995215 722215421 /nfs/dbraw/zinc/21/54/21/722215421.db2.gz HEPQWTRYEQYVOB-RCCFBDPRSA-N 2 2 387.528 1.342 20 0 GDADLP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1sccc1-c1nn[nH]n1 ZINC000737877625 945142322 /nfs/dbraw/zinc/14/23/22/945142322.db2.gz KCSCETYLWQFELL-UHFFFAOYSA-N 2 2 375.502 1.675 20 0 GDADLP O=C([C@@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316903 946592423 /nfs/dbraw/zinc/59/24/23/946592423.db2.gz PLRYEYPHQCKZTA-SJORKVTESA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001571317859 946624789 /nfs/dbraw/zinc/62/47/89/946624789.db2.gz XRHPFKHWLYDYLG-BMFZPTHFSA-N 2 2 392.467 1.063 20 0 GDADLP C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824440725 946708933 /nfs/dbraw/zinc/70/89/33/946708933.db2.gz JIHDFGZJCFMMCP-KXBFYZLASA-N 2 2 386.500 1.615 20 0 GDADLP O=C1[C@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476631 948383504 /nfs/dbraw/zinc/38/35/04/948383504.db2.gz LODHCLNMDLDCKK-DOTOQJQBSA-N 2 2 392.467 1.965 20 0 GDADLP O=C1[C@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476631 948383511 /nfs/dbraw/zinc/38/35/11/948383511.db2.gz LODHCLNMDLDCKK-DOTOQJQBSA-N 2 2 392.467 1.965 20 0 GDADLP C[C@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574693757 949060866 /nfs/dbraw/zinc/06/08/66/949060866.db2.gz IPKZGRCLJGROIL-CYBMUJFWSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574722694 949838763 /nfs/dbraw/zinc/83/87/63/949838763.db2.gz VOPXJRZJNPTSJU-ZDUSSCGKSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575286700 949984749 /nfs/dbraw/zinc/98/47/49/949984749.db2.gz XSLAEEZQEICTTH-ZDUSSCGKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490514 950002100 /nfs/dbraw/zinc/00/21/00/950002100.db2.gz TZMRZQKPSZIKMK-WBAXXEDZSA-N 2 2 392.467 1.500 20 0 GDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490514 950002129 /nfs/dbraw/zinc/00/21/29/950002129.db2.gz TZMRZQKPSZIKMK-WBAXXEDZSA-N 2 2 392.467 1.500 20 0 GDADLP C[C@H](CC(=O)NCC1([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574498457 950275665 /nfs/dbraw/zinc/27/56/65/950275665.db2.gz NPTOBJHYYRTSPA-CQSZACIVSA-N 2 2 380.456 1.453 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502223 950364877 /nfs/dbraw/zinc/36/48/77/950364877.db2.gz KOWNYIFIDOIZHG-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502223 950364898 /nfs/dbraw/zinc/36/48/98/950364898.db2.gz KOWNYIFIDOIZHG-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205427 950517254 /nfs/dbraw/zinc/51/72/54/950517254.db2.gz IWJLFQIQQWNFSY-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205427 950517275 /nfs/dbraw/zinc/51/72/75/950517275.db2.gz IWJLFQIQQWNFSY-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205427 950517293 /nfs/dbraw/zinc/51/72/93/950517293.db2.gz IWJLFQIQQWNFSY-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205427 950517312 /nfs/dbraw/zinc/51/73/12/950517312.db2.gz IWJLFQIQQWNFSY-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CCCN2c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576205560 950523730 /nfs/dbraw/zinc/52/37/30/950523730.db2.gz JWAAKQJKPGOCLF-OAHLLOKOSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001575093836 951801753 /nfs/dbraw/zinc/80/17/53/951801753.db2.gz LDKUCNDINPYXAO-ZDUSSCGKSA-N 2 2 390.451 1.993 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001575099029 951828370 /nfs/dbraw/zinc/82/83/70/951828370.db2.gz HKINZEGKKHCGSN-GFCCVEGCSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571251971 953321925 /nfs/dbraw/zinc/32/19/25/953321925.db2.gz DHOMANLJMZTJMJ-SUMWQHHRSA-N 2 2 384.488 1.077 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001571251971 953321930 /nfs/dbraw/zinc/32/19/30/953321930.db2.gz DHOMANLJMZTJMJ-SUMWQHHRSA-N 2 2 384.488 1.077 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167071501 530583262 /nfs/dbraw/zinc/58/32/62/530583262.db2.gz OVTLLAIEFIBIJD-ROUUACIJSA-N 2 2 375.579 1.622 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167071501 530583266 /nfs/dbraw/zinc/58/32/66/530583266.db2.gz OVTLLAIEFIBIJD-ROUUACIJSA-N 2 2 375.579 1.622 20 0 GDADLP CSCC[C@H]1NC(=S)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000172843640 530618629 /nfs/dbraw/zinc/61/86/29/530618629.db2.gz OAPAVEWDEYFXFW-OAHLLOKOSA-N 2 2 384.615 1.775 20 0 GDADLP C[NH+](C)CCn1nnnc1SCc1cn2cc(Br)ccc2[nH+]1 ZINC000119257835 530923858 /nfs/dbraw/zinc/92/38/58/530923858.db2.gz HNGAGMKJIRNVLU-UHFFFAOYSA-N 2 2 382.291 1.937 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194383010 531004418 /nfs/dbraw/zinc/00/44/18/531004418.db2.gz JFTKAZDOJDIATG-QGZVFWFLSA-N 2 2 396.329 1.895 20 0 GDADLP O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)N1CC[NH2+]CC1 ZINC000237696577 531048627 /nfs/dbraw/zinc/04/86/27/531048627.db2.gz FXJOWQFODKZPJW-UHFFFAOYSA-N 2 2 399.308 1.138 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129308517 531049690 /nfs/dbraw/zinc/04/96/90/531049690.db2.gz RBKOGQZAKVOYBF-NVXWUHKLSA-N 2 2 399.329 1.843 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000261620888 531093961 /nfs/dbraw/zinc/09/39/61/531093961.db2.gz AVFXBEGHSJRBKT-SFHVURJKSA-N 2 2 396.329 1.946 20 0 GDADLP C[C@]([NH3+])(C(=O)NCC[N@@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000261693246 531096823 /nfs/dbraw/zinc/09/68/23/531096823.db2.gz HUEPWOCEAHASRJ-QGZVFWFLSA-N 2 2 384.318 1.850 20 0 GDADLP C[C@]([NH3+])(C(=O)NCC[N@H+]1CCOC(C)(C)C1)c1ccc(Br)cc1 ZINC000261693246 531096825 /nfs/dbraw/zinc/09/68/25/531096825.db2.gz HUEPWOCEAHASRJ-QGZVFWFLSA-N 2 2 384.318 1.850 20 0 GDADLP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910490 531427231 /nfs/dbraw/zinc/42/72/31/531427231.db2.gz VELDDGCBHSGJLG-RYUDHWBXSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910490 531427235 /nfs/dbraw/zinc/42/72/35/531427235.db2.gz VELDDGCBHSGJLG-RYUDHWBXSA-N 2 2 383.290 1.173 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057441 531430377 /nfs/dbraw/zinc/43/03/77/531430377.db2.gz FUNPQNQYPKGUBD-ZBFHGGJFSA-N 2 2 386.334 1.946 20 0 GDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057441 531430383 /nfs/dbraw/zinc/43/03/83/531430383.db2.gz FUNPQNQYPKGUBD-ZBFHGGJFSA-N 2 2 386.334 1.946 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1)Cn1cc[nH+]c1 ZINC000414292992 531438089 /nfs/dbraw/zinc/43/80/89/531438089.db2.gz CNDOUJBDFIUBKH-LLVKDONJSA-N 2 2 387.303 1.719 20 0 GDADLP COC1CC[NH+](C(C)(C)C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638636783 531662805 /nfs/dbraw/zinc/66/28/05/531662805.db2.gz HBADDWSBGVDWHC-UHFFFAOYSA-N 2 2 375.579 1.716 20 0 GDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)cn1 ZINC000662447861 531680578 /nfs/dbraw/zinc/68/05/78/531680578.db2.gz BRAKJMCCJAGNRT-INIZCTEOSA-N 2 2 392.301 1.527 20 0 GDADLP [NH3+]C1(CNS(=O)(=O)CCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000624371097 531839157 /nfs/dbraw/zinc/83/91/57/531839157.db2.gz BCJWOPGFZPOJOX-UHFFFAOYSA-N 2 2 379.448 1.852 20 0 GDADLP Cn1ncc(Br)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641786492 531853208 /nfs/dbraw/zinc/85/32/08/531853208.db2.gz DKNTYJAOUDXMEH-AWEZNQCLSA-N 2 2 386.338 1.069 20 0 GDADLP COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000571056268 531948095 /nfs/dbraw/zinc/94/80/95/531948095.db2.gz ZVSGQYLLLHDZMP-NSHDSACASA-N 2 2 385.262 1.342 20 0 GDADLP COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000571056268 531948106 /nfs/dbraw/zinc/94/81/06/531948106.db2.gz ZVSGQYLLLHDZMP-NSHDSACASA-N 2 2 385.262 1.342 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(I)c1 ZINC000597989911 531963232 /nfs/dbraw/zinc/96/32/32/531963232.db2.gz NBRYKMQPTHLZIB-UHFFFAOYSA-N 2 2 395.310 1.966 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1csc(I)c1 ZINC000597989911 531963236 /nfs/dbraw/zinc/96/32/36/531963236.db2.gz NBRYKMQPTHLZIB-UHFFFAOYSA-N 2 2 395.310 1.966 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Br)cn1 ZINC000657071515 531997091 /nfs/dbraw/zinc/99/70/91/531997091.db2.gz OMKWAEDVDURQHT-LBPRGKRZSA-N 2 2 393.351 1.394 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(Br)cn1 ZINC000657071515 531997096 /nfs/dbraw/zinc/99/70/96/531997096.db2.gz OMKWAEDVDURQHT-LBPRGKRZSA-N 2 2 393.351 1.394 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2cccc(O)c2Br)CN1CC[NH+]1CCOCC1 ZINC000459482850 532017302 /nfs/dbraw/zinc/01/73/02/532017302.db2.gz RRCCWWHOKXSSQU-CQSZACIVSA-N 2 2 398.301 1.177 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(F)cc1Cl ZINC000459534234 532020452 /nfs/dbraw/zinc/02/04/52/532020452.db2.gz FMGRXWBXSIHCSB-UHFFFAOYSA-N 2 2 375.897 1.974 20 0 GDADLP NS(=O)(=O)c1ccc(CC[NH2+]C2CC[NH+](CCC(F)(F)F)CC2)cc1 ZINC000272808703 532115220 /nfs/dbraw/zinc/11/52/20/532115220.db2.gz FCTTVLJEPRYWCN-UHFFFAOYSA-N 2 2 379.448 1.883 20 0 GDADLP COCC[N@@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000273047141 532130454 /nfs/dbraw/zinc/13/04/54/532130454.db2.gz FUNQVZYODODPNY-INIZCTEOSA-N 2 2 384.318 1.879 20 0 GDADLP COCC[N@H+]1CC[C@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000273047141 532130458 /nfs/dbraw/zinc/13/04/58/532130458.db2.gz FUNQVZYODODPNY-INIZCTEOSA-N 2 2 384.318 1.879 20 0 GDADLP COCC[N@@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000273047144 532130714 /nfs/dbraw/zinc/13/07/14/532130714.db2.gz FUNQVZYODODPNY-MRXNPFEDSA-N 2 2 384.318 1.879 20 0 GDADLP COCC[N@H+]1CC[C@@H]([NH2+]CCCNC(=O)c2cccc(Br)c2)C1 ZINC000273047144 532130717 /nfs/dbraw/zinc/13/07/17/532130717.db2.gz FUNQVZYODODPNY-MRXNPFEDSA-N 2 2 384.318 1.879 20 0 GDADLP C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[C@@H]1[NH3+] ZINC000333390185 532231864 /nfs/dbraw/zinc/23/18/64/532231864.db2.gz XILXDMAIGNKGAA-AAEUAGOBSA-N 2 2 398.305 1.882 20 0 GDADLP C[N@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430612471 532253395 /nfs/dbraw/zinc/25/33/95/532253395.db2.gz ROAVPUKKJZIQOY-UHFFFAOYSA-N 2 2 387.311 1.016 20 0 GDADLP C[N@@H+](CC(=O)NCCc1cccc(Cl)c1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000430612471 532253400 /nfs/dbraw/zinc/25/34/00/532253400.db2.gz ROAVPUKKJZIQOY-UHFFFAOYSA-N 2 2 387.311 1.016 20 0 GDADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000430939714 532258913 /nfs/dbraw/zinc/25/89/13/532258913.db2.gz MCTNKGCRRVIGHF-WCQYABFASA-N 2 2 383.290 1.173 20 0 GDADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000430939714 532258916 /nfs/dbraw/zinc/25/89/16/532258916.db2.gz MCTNKGCRRVIGHF-WCQYABFASA-N 2 2 383.290 1.173 20 0 GDADLP COC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000736901080 598862190 /nfs/dbraw/zinc/86/21/90/598862190.db2.gz IAUYEHLOFJPNAT-SFHVURJKSA-N 2 2 384.484 1.889 20 0 GDADLP CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852084 598974482 /nfs/dbraw/zinc/97/44/82/598974482.db2.gz NAMDPBSSSMJACW-QGZVFWFLSA-N 2 2 398.515 1.177 20 0 GDADLP CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852084 598974484 /nfs/dbraw/zinc/97/44/84/598974484.db2.gz NAMDPBSSSMJACW-QGZVFWFLSA-N 2 2 398.515 1.177 20 0 GDADLP C[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC000819857813 599310522 /nfs/dbraw/zinc/31/05/22/599310522.db2.gz VOMMNNXZAFRUQE-QGZVFWFLSA-N 2 2 397.527 1.775 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000822195035 599531630 /nfs/dbraw/zinc/53/16/30/599531630.db2.gz DUMWTMOSFSOFPP-GJZGRUSLSA-N 2 2 381.484 1.923 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000822195035 599531632 /nfs/dbraw/zinc/53/16/32/599531632.db2.gz DUMWTMOSFSOFPP-GJZGRUSLSA-N 2 2 381.484 1.923 20 0 GDADLP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826023145 607512530 /nfs/dbraw/zinc/51/25/30/607512530.db2.gz XZESJNWSCDPMPA-UHFFFAOYSA-N 3 2 398.559 1.890 20 0 GDADLP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000826023145 607512533 /nfs/dbraw/zinc/51/25/33/607512533.db2.gz XZESJNWSCDPMPA-UHFFFAOYSA-N 3 2 398.559 1.890 20 0 GDADLP Cc1cc(-c2nn[nH]n2)ccc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000826247479 607696484 /nfs/dbraw/zinc/69/64/84/607696484.db2.gz FADYDNLBPVCMRB-UHFFFAOYSA-N 2 2 397.527 1.855 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477101 606617117 /nfs/dbraw/zinc/61/71/17/606617117.db2.gz GIKFPZQLQOGPOX-IRXDYDNUSA-N 2 2 383.456 1.276 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477101 606617120 /nfs/dbraw/zinc/61/71/20/606617120.db2.gz GIKFPZQLQOGPOX-IRXDYDNUSA-N 2 2 383.456 1.276 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625568 607104961 /nfs/dbraw/zinc/10/49/61/607104961.db2.gz QTJGSHXRBQULRD-KBAYOESNSA-N 2 2 381.484 1.388 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625568 607104962 /nfs/dbraw/zinc/10/49/62/607104962.db2.gz QTJGSHXRBQULRD-KBAYOESNSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625568 607104964 /nfs/dbraw/zinc/10/49/64/607104964.db2.gz QTJGSHXRBQULRD-KBAYOESNSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625568 607104966 /nfs/dbraw/zinc/10/49/66/607104966.db2.gz QTJGSHXRBQULRD-KBAYOESNSA-N 2 2 381.484 1.388 20 0 GDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825980504 607820653 /nfs/dbraw/zinc/82/06/53/607820653.db2.gz BRESGOKPFCLABM-MRXNPFEDSA-N 2 2 395.515 1.605 20 0 GDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825980504 607820654 /nfs/dbraw/zinc/82/06/54/607820654.db2.gz BRESGOKPFCLABM-MRXNPFEDSA-N 2 2 395.515 1.605 20 0 GDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000826522245 608665873 /nfs/dbraw/zinc/66/58/73/608665873.db2.gz SQQYXIPLMHMAFF-AWEZNQCLSA-N 2 2 375.440 1.843 20 0 GDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000826522245 608665874 /nfs/dbraw/zinc/66/58/74/608665874.db2.gz SQQYXIPLMHMAFF-AWEZNQCLSA-N 2 2 375.440 1.843 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)CC1 ZINC000824295898 608742203 /nfs/dbraw/zinc/74/22/03/608742203.db2.gz BLSLCNPCMXHWNA-UHFFFAOYSA-N 2 2 375.546 1.919 20 0 GDADLP CCC[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825326894 609169318 /nfs/dbraw/zinc/16/93/18/609169318.db2.gz HSMDMKGOTNLPOC-SFHVURJKSA-N 2 2 383.500 1.826 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(Br)cc3)C2)nn1 ZINC000566000633 650825261 /nfs/dbraw/zinc/82/52/61/650825261.db2.gz OJOXKXAIWSLNJX-OAHLLOKOSA-N 2 2 393.289 1.775 20 0 GDADLP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CC(=O)Nc3ccc(Br)cc3)C2)nn1 ZINC000566000633 650825264 /nfs/dbraw/zinc/82/52/64/650825264.db2.gz OJOXKXAIWSLNJX-OAHLLOKOSA-N 2 2 393.289 1.775 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1cccc(Br)c1 ZINC000320872554 645254739 /nfs/dbraw/zinc/25/47/39/645254739.db2.gz ZMEFHXRMWBBVLL-ZMSDIMECSA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1cccc(Br)c1 ZINC000320872554 645254742 /nfs/dbraw/zinc/25/47/42/645254742.db2.gz ZMEFHXRMWBBVLL-ZMSDIMECSA-N 2 2 385.302 1.642 20 0 GDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422954448 646103403 /nfs/dbraw/zinc/10/34/03/646103403.db2.gz ISTRCZSGSIPRHF-JKSUJKDBSA-N 2 2 382.302 1.536 20 0 GDADLP O=S(=O)(C[C@H](O)C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccs1 ZINC000423003257 646108159 /nfs/dbraw/zinc/10/81/59/646108159.db2.gz LHFJLHCIFBTMGI-GVDBMIGSSA-N 2 2 380.535 1.966 20 0 GDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000423076912 646112124 /nfs/dbraw/zinc/11/21/24/646112124.db2.gz SBWUZGBILILQAT-JCGIZDLHSA-N 2 2 383.330 1.957 20 0 GDADLP Cn1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000918912091 660242599 /nfs/dbraw/zinc/24/25/99/660242599.db2.gz BSSYUABBAAOILO-CYBMUJFWSA-N 2 2 399.337 1.150 20 0 GDADLP Cn1cc(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(Br)n1 ZINC000918912091 660242600 /nfs/dbraw/zinc/24/26/00/660242600.db2.gz BSSYUABBAAOILO-CYBMUJFWSA-N 2 2 399.337 1.150 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000576429219 651663152 /nfs/dbraw/zinc/66/31/52/651663152.db2.gz ODUGZRDXVPBHBN-GDBMZVCRSA-N 2 2 394.313 1.928 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000576429219 651663158 /nfs/dbraw/zinc/66/31/58/651663158.db2.gz ODUGZRDXVPBHBN-GDBMZVCRSA-N 2 2 394.313 1.928 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000579218209 651841828 /nfs/dbraw/zinc/84/18/28/651841828.db2.gz UCPNVACQDURPHP-ZDUSSCGKSA-N 2 2 382.921 1.747 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000579218209 651841834 /nfs/dbraw/zinc/84/18/34/651841834.db2.gz UCPNVACQDURPHP-ZDUSSCGKSA-N 2 2 382.921 1.747 20 0 GDADLP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000580181532 651902295 /nfs/dbraw/zinc/90/22/95/651902295.db2.gz KXVNQKOWHIFXEC-ZFWWWQNUSA-N 2 2 375.922 1.667 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000617765447 652976391 /nfs/dbraw/zinc/97/63/91/652976391.db2.gz ASTRLQYUHJFKKI-OAHLLOKOSA-N 2 2 384.318 1.925 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1COc2ccc(Br)cc21 ZINC000617765447 652976393 /nfs/dbraw/zinc/97/63/93/652976393.db2.gz ASTRLQYUHJFKKI-OAHLLOKOSA-N 2 2 384.318 1.925 20 0 GDADLP CN(C)c1ncc(Br)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766860 652976410 /nfs/dbraw/zinc/97/64/10/652976410.db2.gz XCBCJXDEYSANTN-UHFFFAOYSA-N 2 2 386.338 1.523 20 0 GDADLP CN(C)c1ncc(Br)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766860 652976412 /nfs/dbraw/zinc/97/64/12/652976412.db2.gz XCBCJXDEYSANTN-UHFFFAOYSA-N 2 2 386.338 1.523 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000617768816 652976426 /nfs/dbraw/zinc/97/64/26/652976426.db2.gz VWOKULLEDXDMSC-UHFFFAOYSA-N 2 2 389.327 1.723 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 ZINC000617768816 652976428 /nfs/dbraw/zinc/97/64/28/652976428.db2.gz VWOKULLEDXDMSC-UHFFFAOYSA-N 2 2 389.327 1.723 20 0 GDADLP C[N@H+](CCC[NH3+])CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000649409970 653666962 /nfs/dbraw/zinc/66/69/62/653666962.db2.gz DQTZSQPLGJBSQY-UHFFFAOYSA-N 2 2 389.363 1.435 20 0 GDADLP C[N@@H+](CCC[NH3+])CC(=O)N1CCN(Cc2ccc(Br)s2)CC1 ZINC000649409970 653666966 /nfs/dbraw/zinc/66/69/66/653666966.db2.gz DQTZSQPLGJBSQY-UHFFFAOYSA-N 2 2 389.363 1.435 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000658334000 654185457 /nfs/dbraw/zinc/18/54/57/654185457.db2.gz ZIAYYSCQVBZAAU-ZDUSSCGKSA-N 2 2 399.333 1.776 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000658334000 654185460 /nfs/dbraw/zinc/18/54/60/654185460.db2.gz ZIAYYSCQVBZAAU-ZDUSSCGKSA-N 2 2 399.333 1.776 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cc(Br)cnc2Cl)CC1 ZINC000842676273 655370717 /nfs/dbraw/zinc/37/07/17/655370717.db2.gz OHKSKKGOMOTUCY-UHFFFAOYSA-N 2 2 375.698 1.751 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870894359 656253827 /nfs/dbraw/zinc/25/38/27/656253827.db2.gz QILNRZFSMDXFDA-XJKSGUPXSA-N 2 2 382.302 1.630 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(N)nc(Br)c3)CC2)CC1 ZINC000874256225 656455951 /nfs/dbraw/zinc/45/59/51/656455951.db2.gz HWIKJVDNYGDIFE-UHFFFAOYSA-N 2 2 396.333 1.715 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(N)nc(Br)c3)C2)CC1 ZINC000874462739 656472306 /nfs/dbraw/zinc/47/23/06/656472306.db2.gz YPDLVWZDSRFMOS-GFCCVEGCSA-N 2 2 382.306 1.325 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(N)nc(Br)c3)C2)CC1 ZINC000874462739 656472309 /nfs/dbraw/zinc/47/23/09/656472309.db2.gz YPDLVWZDSRFMOS-GFCCVEGCSA-N 2 2 382.306 1.325 20 0 GDADLP Cn1cc(C[NH2+]Cc2cnc(N3CC[NH+](C)CC3)nc2)c(Br)n1 ZINC000922469919 656481224 /nfs/dbraw/zinc/48/12/24/656481224.db2.gz RLFAWOPABFHNLK-UHFFFAOYSA-N 2 2 380.294 1.014 20 0 GDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435237 656674710 /nfs/dbraw/zinc/67/47/10/656674710.db2.gz ZINQZTDBBWYOKY-NVXWUHKLSA-N 2 2 384.318 1.850 20 0 GDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435237 656674712 /nfs/dbraw/zinc/67/47/12/656674712.db2.gz ZINQZTDBBWYOKY-NVXWUHKLSA-N 2 2 384.318 1.850 20 0 GDADLP COC1CC[NH+](C(C)(C)C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000925000826 656691327 /nfs/dbraw/zinc/69/13/27/656691327.db2.gz LPEQUVLKLIAMJZ-HNNXBMFYSA-N 2 2 375.579 1.526 20 0 GDADLP COC(=O)c1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1Br ZINC000926103968 656736412 /nfs/dbraw/zinc/73/64/12/656736412.db2.gz AXLYUSUZHLQBGQ-UHFFFAOYSA-N 2 2 399.289 1.780 20 0 GDADLP CN(C(=O)c1cc(=O)[nH]cc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578296 657201011 /nfs/dbraw/zinc/20/10/11/657201011.db2.gz VURADNKOJGHRCP-CYBMUJFWSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1cc(=O)[nH]cc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578296 657201018 /nfs/dbraw/zinc/20/10/18/657201018.db2.gz VURADNKOJGHRCP-CYBMUJFWSA-N 2 2 397.317 1.790 20 0 GDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884199972 657334298 /nfs/dbraw/zinc/33/42/98/657334298.db2.gz PKDJYTSUXDYNRS-QGZVFWFLSA-N 2 2 397.361 1.839 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000884331891 657347829 /nfs/dbraw/zinc/34/78/29/657347829.db2.gz ZSQUBBJVCBFCAA-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000884331891 657347838 /nfs/dbraw/zinc/34/78/38/657347838.db2.gz ZSQUBBJVCBFCAA-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3C[C@H]([NH3+])C3)[nH+]c12 ZINC000891784330 658273383 /nfs/dbraw/zinc/27/33/83/658273383.db2.gz SALUJYWTPNHVEU-AULYBMBSSA-N 2 2 380.290 1.984 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000903492629 659317994 /nfs/dbraw/zinc/31/79/94/659317994.db2.gz ICAACDYRXYTALK-SYEQVDHESA-N 2 2 396.285 1.188 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C(N)=O)c1ccc(Br)cc1)C2 ZINC000903492629 659318002 /nfs/dbraw/zinc/31/80/02/659318002.db2.gz ICAACDYRXYTALK-SYEQVDHESA-N 2 2 396.285 1.188 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@@H]43)[nH+]2)CC1 ZINC001164679023 719541137 /nfs/dbraw/zinc/54/11/37/719541137.db2.gz QIKRKCKMSPDIEW-CEXWTWQISA-N 2 2 399.539 1.440 20 0 GDADLP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745891 720755870 /nfs/dbraw/zinc/75/58/70/720755870.db2.gz WFZQVQBCIZMCFM-DLBZAZTESA-N 2 2 381.484 1.599 20 0 GDADLP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745891 720755878 /nfs/dbraw/zinc/75/58/78/720755878.db2.gz WFZQVQBCIZMCFM-DLBZAZTESA-N 2 2 381.484 1.599 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740726 720809870 /nfs/dbraw/zinc/80/98/70/720809870.db2.gz AGGAOVFEVXITIU-RCCFBDPRSA-N 2 2 382.516 1.514 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740726 720809872 /nfs/dbraw/zinc/80/98/72/720809872.db2.gz AGGAOVFEVXITIU-RCCFBDPRSA-N 2 2 382.516 1.514 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164764056 721162856 /nfs/dbraw/zinc/16/28/56/721162856.db2.gz GQUMFGFICVVMBQ-WOJBJXKFSA-N 3 2 395.555 1.525 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3C2)cn1 ZINC001164764056 721162862 /nfs/dbraw/zinc/16/28/62/721162862.db2.gz GQUMFGFICVVMBQ-WOJBJXKFSA-N 3 2 395.555 1.525 20 0 GDADLP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@@H]1CCc2[nH+]ccn2C1 ZINC001571317681 946618614 /nfs/dbraw/zinc/61/86/14/946618614.db2.gz QSTUXCYPSRMSKW-OAGGEKHMSA-N 2 2 392.467 1.063 20 0 GDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824413640 946697521 /nfs/dbraw/zinc/69/75/21/946697521.db2.gz NYBRAFHZZABPMU-QGZVFWFLSA-N 3 2 398.559 1.057 20 0 GDADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CC[NH+](C)CC1 ZINC000824429055 946705937 /nfs/dbraw/zinc/70/59/37/946705937.db2.gz VRFDVFLZECFKTP-KRWDZBQOSA-N 3 2 398.559 1.057 20 0 GDADLP CC[C@H](C)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825068434 947066184 /nfs/dbraw/zinc/06/61/84/947066184.db2.gz RQERORZNXUUAMW-HNNXBMFYSA-N 2 2 385.516 1.726 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033354 947409291 /nfs/dbraw/zinc/40/92/91/947409291.db2.gz ATRSNGOFCHCIDU-QRQLOZEOSA-N 2 2 395.511 1.778 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033354 947409293 /nfs/dbraw/zinc/40/92/93/947409293.db2.gz ATRSNGOFCHCIDU-QRQLOZEOSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033354 947409299 /nfs/dbraw/zinc/40/92/99/947409299.db2.gz ATRSNGOFCHCIDU-QRQLOZEOSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033354 947409304 /nfs/dbraw/zinc/40/93/04/947409304.db2.gz ATRSNGOFCHCIDU-QRQLOZEOSA-N 2 2 395.511 1.778 20 0 GDADLP O=C(Nc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000826456332 948329948 /nfs/dbraw/zinc/32/99/48/948329948.db2.gz ZBTHFTCWBVOYRD-UHFFFAOYSA-N 2 2 380.456 1.804 20 0 GDADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476324 948380310 /nfs/dbraw/zinc/38/03/10/948380310.db2.gz FMLZGBFAVWILIF-KRWDZBQOSA-N 2 2 392.467 1.965 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000826514601 948441103 /nfs/dbraw/zinc/44/11/03/948441103.db2.gz WZZXLYROFZNFBN-UHFFFAOYSA-N 3 2 399.543 1.533 20 0 GDADLP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1c[nH+]c[nH]1 ZINC001573763749 948873737 /nfs/dbraw/zinc/87/37/37/948873737.db2.gz GTDOQOVADJBXHX-NSHDSACASA-N 2 2 386.485 1.320 20 0 GDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879380 949688607 /nfs/dbraw/zinc/68/86/07/949688607.db2.gz QMNMZJHSNAYDLB-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879380 949688627 /nfs/dbraw/zinc/68/86/27/949688627.db2.gz QMNMZJHSNAYDLB-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285542 949949848 /nfs/dbraw/zinc/94/98/48/949949848.db2.gz OIZLQMWRYRLIHA-CQSZACIVSA-N 2 2 380.456 1.090 20 0 GDADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574159942 950326423 /nfs/dbraw/zinc/32/64/23/950326423.db2.gz ZYRXBVGACJOHLN-PBHICJAKSA-N 2 2 386.504 1.111 20 0 GDADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574159942 950326446 /nfs/dbraw/zinc/32/64/46/950326446.db2.gz ZYRXBVGACJOHLN-PBHICJAKSA-N 2 2 386.504 1.111 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574511994 950581400 /nfs/dbraw/zinc/58/14/00/950581400.db2.gz ZBMFTHTWYPELSW-UONOGXRCSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1cc[nH+]c1 ZINC001574524372 950858491 /nfs/dbraw/zinc/85/84/91/950858491.db2.gz VZDLUJLRNVTDDY-QWHCGFSZSA-N 2 2 388.501 1.588 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574524469 950862449 /nfs/dbraw/zinc/86/24/49/950862449.db2.gz WVAMWPHOQJTJNL-OLZOCXBDSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001575091071 951767762 /nfs/dbraw/zinc/76/77/62/951767762.db2.gz NNHNJJAEBVLXBQ-IBGZPJMESA-N 2 2 380.456 1.207 20 0 GDADLP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)c1c[nH+]c[nH]1 ZINC001571165438 952750533 /nfs/dbraw/zinc/75/05/33/952750533.db2.gz DCWYIKOIASZKKS-AWEZNQCLSA-N 2 2 380.456 1.258 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000051762494 530681639 /nfs/dbraw/zinc/68/16/39/530681639.db2.gz ZCCPXHAKQXAIEQ-AWEZNQCLSA-N 2 2 390.311 1.439 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(I)c1 ZINC000261773930 531098658 /nfs/dbraw/zinc/09/86/58/531098658.db2.gz OWBCRIISAASYDN-NWDGAFQWSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(I)c1 ZINC000261773930 531098660 /nfs/dbraw/zinc/09/86/60/531098660.db2.gz OWBCRIISAASYDN-NWDGAFQWSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261894068 531102409 /nfs/dbraw/zinc/10/24/09/531102409.db2.gz ODOYWOOERYQHOA-CJNGLKHVSA-N 2 2 381.318 1.924 20 0 GDADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261894068 531102413 /nfs/dbraw/zinc/10/24/13/531102413.db2.gz ODOYWOOERYQHOA-CJNGLKHVSA-N 2 2 381.318 1.924 20 0 GDADLP CC[NH+](CC)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccsc1 ZINC000262361151 531117838 /nfs/dbraw/zinc/11/78/38/531117838.db2.gz KKFGLRHJGSBVIH-OAHLLOKOSA-N 2 2 387.571 1.414 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155321348 531199338 /nfs/dbraw/zinc/19/93/38/531199338.db2.gz HQXXPTXQYXEXGZ-DZGCQCFKSA-N 2 2 386.338 1.566 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155321348 531199339 /nfs/dbraw/zinc/19/93/39/531199339.db2.gz HQXXPTXQYXEXGZ-DZGCQCFKSA-N 2 2 386.338 1.566 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254258 531223888 /nfs/dbraw/zinc/22/38/88/531223888.db2.gz QEYDIVLWXYOAJX-SWLSCSKDSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254258 531223893 /nfs/dbraw/zinc/22/38/93/531223893.db2.gz QEYDIVLWXYOAJX-SWLSCSKDSA-N 2 2 375.270 1.741 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2csc(Br)c2)CN1CC[NH+]1CCOCC1 ZINC000265866587 531293951 /nfs/dbraw/zinc/29/39/51/531293951.db2.gz OLBNLERKFNFWSN-ZDUSSCGKSA-N 2 2 388.331 1.533 20 0 GDADLP Cc1[nH+]ccn1CCC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439285532 531319881 /nfs/dbraw/zinc/31/98/81/531319881.db2.gz OPWLCUDUNSKOOK-UHFFFAOYSA-N 2 2 383.440 1.032 20 0 GDADLP COC(=O)[C@@H]1CSCC[NH+](CCC[N@H+]2CCSC[C@H](C(=O)OC)C2)C1 ZINC000412088304 531358654 /nfs/dbraw/zinc/35/86/54/531358654.db2.gz WMNDJDKVATVYFS-GASCZTMLSA-N 2 2 390.571 1.053 20 0 GDADLP COC(=O)[C@@H]1CSCC[NH+](CCC[N@@H+]2CCSC[C@H](C(=O)OC)C2)C1 ZINC000412088304 531358657 /nfs/dbraw/zinc/35/86/57/531358657.db2.gz WMNDJDKVATVYFS-GASCZTMLSA-N 2 2 390.571 1.053 20 0 GDADLP COC(=O)[C@@H]1CSCC[N@@H+](CCC[NH+]2CCSC[C@H](C(=O)OC)C2)C1 ZINC000412088304 531358660 /nfs/dbraw/zinc/35/86/60/531358660.db2.gz WMNDJDKVATVYFS-GASCZTMLSA-N 2 2 390.571 1.053 20 0 GDADLP COC(=O)[C@@H]1CSCC[N@H+](CCC[NH+]2CCSC[C@H](C(=O)OC)C2)C1 ZINC000412088304 531358664 /nfs/dbraw/zinc/35/86/64/531358664.db2.gz WMNDJDKVATVYFS-GASCZTMLSA-N 2 2 390.571 1.053 20 0 GDADLP CS[C@@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000443053662 531383833 /nfs/dbraw/zinc/38/38/33/531383833.db2.gz VHWNRLZUWSPFCD-JKSUJKDBSA-N 2 2 380.539 1.598 20 0 GDADLP O=C(C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000486454366 531452235 /nfs/dbraw/zinc/45/22/35/531452235.db2.gz IOSBDJPNEGJXLU-ZDUSSCGKSA-N 2 2 385.295 1.828 20 0 GDADLP O=C(C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000486454366 531452240 /nfs/dbraw/zinc/45/22/40/531452240.db2.gz IOSBDJPNEGJXLU-ZDUSSCGKSA-N 2 2 385.295 1.828 20 0 GDADLP [NH3+]CC12CC(C1)CN2C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000659016574 531537133 /nfs/dbraw/zinc/53/71/33/531537133.db2.gz HDLWPWXUPXKSSW-UHFFFAOYSA-N 2 2 396.289 1.636 20 0 GDADLP CC[NH+]1CCN(CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662384771 531675482 /nfs/dbraw/zinc/67/54/82/531675482.db2.gz WMPXYIHLHNGSLD-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662384771 531675487 /nfs/dbraw/zinc/67/54/87/531675487.db2.gz WMPXYIHLHNGSLD-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP [NH3+]CC[C@@H](NC(=O)NCc1cn2cc(Br)ccc2[nH+]1)C(F)F ZINC000417224659 531761088 /nfs/dbraw/zinc/76/10/88/531761088.db2.gz RUMFNFQHPLZCLF-SNVBAGLBSA-N 2 2 376.205 1.879 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@@H]1CCC[NH2+]CC1 ZINC000667671797 531783434 /nfs/dbraw/zinc/78/34/34/531783434.db2.gz TYCUSVNDSWSDKN-GFCCVEGCSA-N 2 2 398.305 1.944 20 0 GDADLP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3cccs3)CC2)[C@@H]1SC ZINC000592169787 531768745 /nfs/dbraw/zinc/76/87/45/531768745.db2.gz RWOMVJWRNMVVIV-NUJGCVRESA-N 2 2 383.583 1.891 20 0 GDADLP [NH3+]C[C@@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000667671777 531783978 /nfs/dbraw/zinc/78/39/78/531783978.db2.gz KMDMLUSJLBXFOR-VXGBXAGGSA-N 2 2 398.305 1.930 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CCC[NH2+]CC3)[nH+]c12 ZINC000418015865 531797595 /nfs/dbraw/zinc/79/75/95/531797595.db2.gz FEOJRNBLGIUMNN-UHFFFAOYSA-N 2 2 380.290 1.953 20 0 GDADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563588049 531853813 /nfs/dbraw/zinc/85/38/13/531853813.db2.gz REVWQGSXAUIYAM-MAZHCROVSA-N 2 2 399.333 1.809 20 0 GDADLP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000367533054 531844721 /nfs/dbraw/zinc/84/47/21/531844721.db2.gz HKZILRKACRVKMW-CQSZACIVSA-N 2 2 383.480 1.949 20 0 GDADLP C[C@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000567605775 531899550 /nfs/dbraw/zinc/89/95/50/531899550.db2.gz DWMYEDYNBHBXBS-GDBMZVCRSA-N 2 2 387.318 1.747 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+](C)C1CC([NH3+])C1 ZINC000647982844 531906942 /nfs/dbraw/zinc/90/69/42/531906942.db2.gz RVDUCGHSAMKNPO-UHFFFAOYSA-N 2 2 397.317 1.576 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+](C)C1CC([NH3+])C1 ZINC000647982844 531906951 /nfs/dbraw/zinc/90/69/51/531906951.db2.gz RVDUCGHSAMKNPO-UHFFFAOYSA-N 2 2 397.317 1.576 20 0 GDADLP CC[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938344 531907171 /nfs/dbraw/zinc/90/71/71/531907171.db2.gz KKAHQORXKIHLDP-GXTWGEPZSA-N 2 2 397.317 1.563 20 0 GDADLP CC[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938344 531907178 /nfs/dbraw/zinc/90/71/78/531907178.db2.gz KKAHQORXKIHLDP-GXTWGEPZSA-N 2 2 397.317 1.563 20 0 GDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@]3(OCCO)CCOC3)c[nH+]c12 ZINC000657596709 532012336 /nfs/dbraw/zinc/01/23/36/532012336.db2.gz ITBNOPKONNUCSG-MRXNPFEDSA-N 2 2 384.274 1.663 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086147 532070395 /nfs/dbraw/zinc/07/03/95/532070395.db2.gz LKBQMBFVMILHSH-YPMHNXCESA-N 2 2 380.432 1.966 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)C[C@H]1COCC[NH2+]1 ZINC000423104974 532072823 /nfs/dbraw/zinc/07/28/23/532072823.db2.gz HVCYEOXSGQSLFP-HIFRSBDPSA-N 2 2 375.922 1.283 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(I)s2)CC1 ZINC000602527323 532078845 /nfs/dbraw/zinc/07/88/45/532078845.db2.gz JZZDNDBLKOUEHV-UHFFFAOYSA-N 2 2 379.267 1.216 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)N3CC[NH+](C)CC3)[nH+]c12 ZINC000274121391 532186434 /nfs/dbraw/zinc/18/64/34/532186434.db2.gz AVYCOJHXKMXQCY-ZDUSSCGKSA-N 2 2 394.317 1.657 20 0 GDADLP CN(C)c1cc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)[nH+]cc1Br ZINC000332690442 532205632 /nfs/dbraw/zinc/20/56/32/532205632.db2.gz QSINKWAXWLDIKV-LBPRGKRZSA-N 2 2 397.321 1.422 20 0 GDADLP C[C@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333393539 532233112 /nfs/dbraw/zinc/23/31/12/532233112.db2.gz XVHMHTCVIQFKOP-NWDGAFQWSA-N 2 2 398.305 1.882 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000274619115 532220664 /nfs/dbraw/zinc/22/06/64/532220664.db2.gz KGMNFDCLMKLTFE-UHFFFAOYSA-N 2 2 382.555 1.943 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000274619115 532220668 /nfs/dbraw/zinc/22/06/68/532220668.db2.gz KGMNFDCLMKLTFE-UHFFFAOYSA-N 2 2 382.555 1.943 20 0 GDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430935546 532258563 /nfs/dbraw/zinc/25/85/63/532258563.db2.gz QOCHLNGCYPWTLG-CYBMUJFWSA-N 2 2 386.327 1.578 20 0 GDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430935546 532258567 /nfs/dbraw/zinc/25/85/67/532258567.db2.gz QOCHLNGCYPWTLG-CYBMUJFWSA-N 2 2 386.327 1.578 20 0 GDADLP Cc1nnc(NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(-c2nn[nH]n2)c1C ZINC000822516401 599062941 /nfs/dbraw/zinc/06/29/41/599062941.db2.gz YIDFHWSWEOEUFL-UHFFFAOYSA-N 2 2 385.520 1.636 20 0 GDADLP C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736801922 598366726 /nfs/dbraw/zinc/36/67/26/598366726.db2.gz MWOKBHFIANRRJC-UHFFFAOYSA-N 2 2 396.499 1.538 20 0 GDADLP C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736801922 598366729 /nfs/dbraw/zinc/36/67/29/598366729.db2.gz MWOKBHFIANRRJC-UHFFFAOYSA-N 2 2 396.499 1.538 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[N@@H+]3CCOCC3(C)C)c2c1 ZINC000822196432 599523762 /nfs/dbraw/zinc/52/37/62/599523762.db2.gz JIZFPLMPQHYGDX-UHFFFAOYSA-N 2 2 381.484 1.976 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC[N@H+]3CCOCC3(C)C)c2c1 ZINC000822196432 599523764 /nfs/dbraw/zinc/52/37/64/599523764.db2.gz JIZFPLMPQHYGDX-UHFFFAOYSA-N 2 2 381.484 1.976 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N[C@H](C)[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195333 599528709 /nfs/dbraw/zinc/52/87/09/599528709.db2.gz PBIQCWHAPWGJJG-CABCVRRESA-N 2 2 381.484 1.975 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(F)cc3-c3nn[nH]n3)CC2)CC1 ZINC000824297379 607472158 /nfs/dbraw/zinc/47/21/58/607472158.db2.gz VHUOOMQVACTCBR-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000826183037 607522887 /nfs/dbraw/zinc/52/28/87/607522887.db2.gz BROHTBJBHMPLPN-CALCHBBNSA-N 2 2 399.543 1.866 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000826183037 607522889 /nfs/dbraw/zinc/52/28/89/607522889.db2.gz BROHTBJBHMPLPN-CALCHBBNSA-N 2 2 399.543 1.866 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000822334344 606102528 /nfs/dbraw/zinc/10/25/28/606102528.db2.gz CAMZWRPJUFJIAA-HNNXBMFYSA-N 2 2 379.468 1.882 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cccc(-c2nn[nH]n2)n1 ZINC000821621854 606200070 /nfs/dbraw/zinc/20/00/70/606200070.db2.gz ITWMJYQUBBYOAZ-UHFFFAOYSA-N 2 2 384.532 1.894 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625567 607105449 /nfs/dbraw/zinc/10/54/49/607105449.db2.gz QTJGSHXRBQULRD-BPQIPLTHSA-N 2 2 381.484 1.388 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625567 607105451 /nfs/dbraw/zinc/10/54/51/607105451.db2.gz QTJGSHXRBQULRD-BPQIPLTHSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625567 607105454 /nfs/dbraw/zinc/10/54/54/607105454.db2.gz QTJGSHXRBQULRD-BPQIPLTHSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000821625567 607105455 /nfs/dbraw/zinc/10/54/55/607105455.db2.gz QTJGSHXRBQULRD-BPQIPLTHSA-N 2 2 381.484 1.388 20 0 GDADLP Cc1oc(NC(=O)[C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826340546 608454163 /nfs/dbraw/zinc/45/41/63/608454163.db2.gz CALHRLIDOXJLJR-GFCCVEGCSA-N 2 2 386.460 1.931 20 0 GDADLP Cc1oc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826340546 608454166 /nfs/dbraw/zinc/45/41/66/608454166.db2.gz CALHRLIDOXJLJR-GFCCVEGCSA-N 2 2 386.460 1.931 20 0 GDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)C1 ZINC000824300927 608685151 /nfs/dbraw/zinc/68/51/51/608685151.db2.gz NELWECAMERPXEC-MRXNPFEDSA-N 2 2 391.545 1.155 20 0 GDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cc(-c4nn[nH]n4)cs3)CC2)C1 ZINC000824300927 608685153 /nfs/dbraw/zinc/68/51/53/608685153.db2.gz NELWECAMERPXEC-MRXNPFEDSA-N 2 2 391.545 1.155 20 0 GDADLP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476142 609169824 /nfs/dbraw/zinc/16/98/24/609169824.db2.gz BNESFLOQMJZDSA-BPQIPLTHSA-N 2 2 381.484 1.579 20 0 GDADLP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476142 609169825 /nfs/dbraw/zinc/16/98/25/609169825.db2.gz BNESFLOQMJZDSA-BPQIPLTHSA-N 2 2 381.484 1.579 20 0 GDADLP Cc1c(Cl)cnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826239028 609551075 /nfs/dbraw/zinc/55/10/75/609551075.db2.gz WJCYRMACDNJYII-LBPRGKRZSA-N 2 2 376.896 1.804 20 0 GDADLP Cc1c(Cl)cnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826239028 609551076 /nfs/dbraw/zinc/55/10/76/609551076.db2.gz WJCYRMACDNJYII-LBPRGKRZSA-N 2 2 376.896 1.804 20 0 GDADLP [NH3+]CC1(O)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000566209248 650835001 /nfs/dbraw/zinc/83/50/01/650835001.db2.gz QYXXQGLEMPNLIR-INIZCTEOSA-N 2 2 396.329 1.898 20 0 GDADLP COCC1CC[NH+](CCS(=O)(=O)CC[NH+]2CCC(COC)CC2)CC1 ZINC000112355002 644634000 /nfs/dbraw/zinc/63/40/00/644634000.db2.gz KHTROIVKFVCBKU-UHFFFAOYSA-N 2 2 376.563 1.118 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420386032 645942760 /nfs/dbraw/zinc/94/27/60/645942760.db2.gz UJCYJQHAOGSHCE-QWHCGFSZSA-N 2 2 397.317 1.421 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000420386032 645942766 /nfs/dbraw/zinc/94/27/66/645942766.db2.gz UJCYJQHAOGSHCE-QWHCGFSZSA-N 2 2 397.317 1.421 20 0 GDADLP CS(=O)(=O)c1ccc(C[NH2+]C2CCN(CC[NH+]3CCOCC3)CC2)s1 ZINC000469299293 647705056 /nfs/dbraw/zinc/70/50/56/647705056.db2.gz XOTYLVCBZUXATP-UHFFFAOYSA-N 2 2 387.571 1.038 20 0 GDADLP CCc1nc(C[NH+]2CCC(CNS(=O)(=O)CCC[NH+](C)C)CC2)cs1 ZINC000631943489 653275754 /nfs/dbraw/zinc/27/57/54/653275754.db2.gz XRSHWOOULRYGAJ-UHFFFAOYSA-N 2 2 388.603 1.789 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000639277049 653548990 /nfs/dbraw/zinc/54/89/90/653548990.db2.gz ROHOXJRONRETSC-UHFFFAOYSA-N 2 2 386.587 1.388 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000639277049 653548992 /nfs/dbraw/zinc/54/89/92/653548992.db2.gz ROHOXJRONRETSC-UHFFFAOYSA-N 2 2 386.587 1.388 20 0 GDADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2ccccc2Br)CC1=O ZINC000649686737 653671858 /nfs/dbraw/zinc/67/18/58/653671858.db2.gz VNZMFNVDVIHBIM-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2ccccc2Br)CC1=O ZINC000649686737 653671860 /nfs/dbraw/zinc/67/18/60/653671860.db2.gz VNZMFNVDVIHBIM-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000655136513 653959194 /nfs/dbraw/zinc/95/91/94/653959194.db2.gz GQECKPCOJMLFNO-CYBMUJFWSA-N 2 2 396.333 1.876 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)Nc2cc(Br)cnc2N2CC[NH+](C)CC2)C1 ZINC000655136513 653959196 /nfs/dbraw/zinc/95/91/96/653959196.db2.gz GQECKPCOJMLFNO-CYBMUJFWSA-N 2 2 396.333 1.876 20 0 GDADLP CCOc1cc(C[NH2+]CC(=O)N2CC[NH+](C)CC2)cc(Br)c1O ZINC000656493208 654031695 /nfs/dbraw/zinc/03/16/95/654031695.db2.gz PJWYNLFGLPBYOW-UHFFFAOYSA-N 2 2 386.290 1.417 20 0 GDADLP Cn1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Br ZINC000760219468 655105385 /nfs/dbraw/zinc/10/53/85/655105385.db2.gz PTRYWGBEUWLFOO-UHFFFAOYSA-N 2 2 384.322 1.471 20 0 GDADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000819078211 655384698 /nfs/dbraw/zinc/38/46/98/655384698.db2.gz UQMGJGMKOWBQQB-MSOLQXFVSA-N 2 2 398.345 1.479 20 0 GDADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076480 655384772 /nfs/dbraw/zinc/38/47/72/655384772.db2.gz CWEPDTPDFVXECJ-ZWKOTPCHSA-N 2 2 398.345 1.479 20 0 GDADLP Cn1nc(Br)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058060 655387679 /nfs/dbraw/zinc/38/76/79/655387679.db2.gz OEWYUEWLCIPVPO-TZMCWYRMSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1nc(Br)cc1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058060 655387681 /nfs/dbraw/zinc/38/76/81/655387681.db2.gz OEWYUEWLCIPVPO-TZMCWYRMSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(Br)n1 ZINC000858096249 655744321 /nfs/dbraw/zinc/74/43/21/655744321.db2.gz XTGIPDIBXQIMCI-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865449875 655919945 /nfs/dbraw/zinc/91/99/45/655919945.db2.gz CXAURMNSNDVYKB-GFCCVEGCSA-N 2 2 385.306 1.530 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000865449875 655919948 /nfs/dbraw/zinc/91/99/48/655919948.db2.gz CXAURMNSNDVYKB-GFCCVEGCSA-N 2 2 385.306 1.530 20 0 GDADLP Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865748725 655925851 /nfs/dbraw/zinc/92/58/51/655925851.db2.gz ADDIEKLXQDFCBJ-LBPRGKRZSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865748725 655925852 /nfs/dbraw/zinc/92/58/52/655925852.db2.gz ADDIEKLXQDFCBJ-LBPRGKRZSA-N 2 2 397.317 1.756 20 0 GDADLP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]([NH3+])c3cccc(Br)c3)C2)CC1 ZINC000870884589 656251802 /nfs/dbraw/zinc/25/18/02/656251802.db2.gz AVOCCHZAZUXVIN-DOTOQJQBSA-N 2 2 395.345 1.734 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000870896080 656254142 /nfs/dbraw/zinc/25/41/42/656254142.db2.gz FYDRRUSUDIMFEP-IAGOWNOFSA-N 2 2 397.361 1.837 20 0 GDADLP CO[C@@H]1CC[C@H](C)[NH+](CCS(=O)(=O)CC[N@@H+]2C[C@H](OC)CC[C@@H]2C)C1 ZINC000879321507 656787614 /nfs/dbraw/zinc/78/76/14/656787614.db2.gz MQLSLEQSWJSVFW-WNRNVDISSA-N 2 2 376.563 1.400 20 0 GDADLP CO[C@@H]1CC[C@H](C)[NH+](CCS(=O)(=O)CC[N@H+]2C[C@H](OC)CC[C@@H]2C)C1 ZINC000879321507 656787619 /nfs/dbraw/zinc/78/76/19/656787619.db2.gz MQLSLEQSWJSVFW-WNRNVDISSA-N 2 2 376.563 1.400 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000932623468 657203785 /nfs/dbraw/zinc/20/37/85/657203785.db2.gz YCRINYMFTGQXFS-CQSZACIVSA-N 2 2 396.333 1.419 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000932623468 657203789 /nfs/dbraw/zinc/20/37/89/657203789.db2.gz YCRINYMFTGQXFS-CQSZACIVSA-N 2 2 396.333 1.419 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(=O)[nH]cc3Br)C2)CC1 ZINC000932621356 657203813 /nfs/dbraw/zinc/20/38/13/657203813.db2.gz HSYRFIMFBPITGE-LLVKDONJSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(=O)[nH]cc3Br)C2)CC1 ZINC000932621356 657203816 /nfs/dbraw/zinc/20/38/16/657203816.db2.gz HSYRFIMFBPITGE-LLVKDONJSA-N 2 2 383.290 1.448 20 0 GDADLP Cn1nc(Br)cc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372232 657283972 /nfs/dbraw/zinc/28/39/72/657283972.db2.gz RXVMYCBGBZDNBF-AWEZNQCLSA-N 2 2 386.338 1.069 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000884183620 657333724 /nfs/dbraw/zinc/33/37/24/657333724.db2.gz RXDMRPNDLMUJSR-HOTGVXAUSA-N 2 2 384.318 1.922 20 0 GDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235031 657338895 /nfs/dbraw/zinc/33/88/95/657338895.db2.gz LENROMHSOMMMDD-WMLDXEAASA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235031 657338907 /nfs/dbraw/zinc/33/89/07/657338907.db2.gz LENROMHSOMMMDD-WMLDXEAASA-N 2 2 397.361 1.839 20 0 GDADLP CC(=O)Nc1cc(Br)ccc1C[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000892714774 658345429 /nfs/dbraw/zinc/34/54/29/658345429.db2.gz RRZWOOIUPKDWFV-UHFFFAOYSA-N 2 2 383.290 1.271 20 0 GDADLP Cn1ncc(I)c1C[NH2+]CCCCN1CC[NH+](C)CC1 ZINC000894174774 658515997 /nfs/dbraw/zinc/51/59/97/658515997.db2.gz YJSYLPLNWYGVKD-UHFFFAOYSA-N 2 2 391.301 1.142 20 0 GDADLP Cn1cc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Br)n1 ZINC000896004767 658744486 /nfs/dbraw/zinc/74/44/86/658744486.db2.gz OEQJEHLNUMQBJK-UHFFFAOYSA-N 2 2 384.322 1.471 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675494 659134628 /nfs/dbraw/zinc/13/46/28/659134628.db2.gz SAAKLXINWQFVFT-DOTOQJQBSA-N 2 2 396.329 1.767 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)[C@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675494 659134634 /nfs/dbraw/zinc/13/46/34/659134634.db2.gz SAAKLXINWQFVFT-DOTOQJQBSA-N 2 2 396.329 1.767 20 0 GDADLP CCn1c(Br)ncc1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000900692634 659137413 /nfs/dbraw/zinc/13/74/13/659137413.db2.gz ILVDWLKKOPNPLI-UHFFFAOYSA-N 2 2 386.338 1.764 20 0 GDADLP CCn1c(Br)ncc1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000900692634 659137418 /nfs/dbraw/zinc/13/74/18/659137418.db2.gz ILVDWLKKOPNPLI-UHFFFAOYSA-N 2 2 386.338 1.764 20 0 GDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914328047 660140012 /nfs/dbraw/zinc/14/00/12/660140012.db2.gz DYHWSBYZRVPAIA-JKSUJKDBSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914328047 660140015 /nfs/dbraw/zinc/14/00/15/660140015.db2.gz DYHWSBYZRVPAIA-JKSUJKDBSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914328047 660140017 /nfs/dbraw/zinc/14/00/17/660140017.db2.gz DYHWSBYZRVPAIA-JKSUJKDBSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CCC[N@H+]2CCSC[C@H]12 ZINC000914328047 660140020 /nfs/dbraw/zinc/14/00/20/660140020.db2.gz DYHWSBYZRVPAIA-JKSUJKDBSA-N 2 2 380.583 1.985 20 0 GDADLP CCc1cc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001164716624 720189181 /nfs/dbraw/zinc/18/91/81/720189181.db2.gz QEHRCCPAGUYYBV-GOSISDBHSA-N 2 2 385.516 1.692 20 0 GDADLP Cc1cc(C)[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164822045 720430442 /nfs/dbraw/zinc/43/04/42/720430442.db2.gz ASXNQDUOXGMBTQ-SFHVURJKSA-N 2 2 385.512 1.885 20 0 GDADLP Cc1c[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1N ZINC001164831228 720467688 /nfs/dbraw/zinc/46/76/88/720467688.db2.gz NVEVLJBEGZXHSI-INIZCTEOSA-N 2 2 386.500 1.158 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849421 720830883 /nfs/dbraw/zinc/83/08/83/720830883.db2.gz PTAFHNOPZWGALV-QZTJIDSGSA-N 2 2 375.517 1.559 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849421 720830888 /nfs/dbraw/zinc/83/08/88/720830888.db2.gz PTAFHNOPZWGALV-QZTJIDSGSA-N 2 2 375.517 1.559 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@H]2C1 ZINC001164857369 720864416 /nfs/dbraw/zinc/86/44/16/720864416.db2.gz QOAUYTJOWJTXIY-ROUUACIJSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@H]2C1 ZINC001164857369 720864418 /nfs/dbraw/zinc/86/44/18/720864418.db2.gz QOAUYTJOWJTXIY-ROUUACIJSA-N 2 2 375.517 1.640 20 0 GDADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCOCC3)n1)[C@@H]2C ZINC001164859741 720978397 /nfs/dbraw/zinc/97/83/97/720978397.db2.gz LYQVMPJNEWTMSM-MRXNPFEDSA-N 2 2 385.516 1.931 20 0 GDADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCOCC3)n1)[C@@H]2C ZINC001164859741 720978413 /nfs/dbraw/zinc/97/84/13/720978413.db2.gz LYQVMPJNEWTMSM-MRXNPFEDSA-N 2 2 385.516 1.931 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@H]43)[nH+]2)CC1 ZINC001164758404 721006716 /nfs/dbraw/zinc/00/67/16/721006716.db2.gz IOPGQCOKRXTKES-ZCNNSNEGSA-N 2 2 395.507 1.649 20 0 GDADLP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3cc(N)cc(Cl)[nH+]3)CC2)C1 ZINC001164868984 721269417 /nfs/dbraw/zinc/26/94/17/721269417.db2.gz IFNSVJPGGAWHLH-UHFFFAOYSA-N 2 2 381.908 1.324 20 0 GDADLP CN(C)C(=O)C[N@H+]1CCOCC2(CCN(c3cc(N)cc(Cl)[nH+]3)CC2)C1 ZINC001164868984 721269419 /nfs/dbraw/zinc/26/94/19/721269419.db2.gz IFNSVJPGGAWHLH-UHFFFAOYSA-N 2 2 381.908 1.324 20 0 GDADLP C[NH+]1CCN(c2cccc(N3Cc4nccn4C[C@@H](Cn4cccn4)C3)[nH+]2)CC1 ZINC001164898155 721486726 /nfs/dbraw/zinc/48/67/26/721486726.db2.gz VTCUMSWSRHZYLU-GOSISDBHSA-N 2 2 392.511 1.563 20 0 GDADLP CN(C)c1cc[nH+]c(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916335 721781640 /nfs/dbraw/zinc/78/16/40/721781640.db2.gz QABNOSFOHQHDIU-OAQYLSRUSA-N 2 2 383.496 1.650 20 0 GDADLP CN(C)c1cc[nH+]c(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916335 721781642 /nfs/dbraw/zinc/78/16/42/721781642.db2.gz QABNOSFOHQHDIU-OAQYLSRUSA-N 2 2 383.496 1.650 20 0 GDADLP Cc1noc(C[C@@H]2C[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3O2)n1 ZINC001164957840 722041462 /nfs/dbraw/zinc/04/14/62/722041462.db2.gz CIPXCNQKJLMFGJ-IKGGRYGDSA-N 2 2 384.484 1.361 20 0 GDADLP O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001571317550 946614181 /nfs/dbraw/zinc/61/41/81/946614181.db2.gz MEUIHYNIVNKJCD-IRXDYDNUSA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001571317550 946614192 /nfs/dbraw/zinc/61/41/92/946614192.db2.gz MEUIHYNIVNKJCD-IRXDYDNUSA-N 2 2 392.467 1.016 20 0 GDADLP CCn1cnnc1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825804474 947336984 /nfs/dbraw/zinc/33/69/84/947336984.db2.gz BSLXSFPCQHMHBL-UHFFFAOYSA-N 2 2 381.488 1.275 20 0 GDADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029802 947408054 /nfs/dbraw/zinc/40/80/54/947408054.db2.gz XAYMPAOKCNZMLL-YJBOKZPZSA-N 2 2 383.500 1.636 20 0 GDADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029802 947408061 /nfs/dbraw/zinc/40/80/61/947408061.db2.gz XAYMPAOKCNZMLL-YJBOKZPZSA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029802 947408069 /nfs/dbraw/zinc/40/80/69/947408069.db2.gz XAYMPAOKCNZMLL-YJBOKZPZSA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029802 947408076 /nfs/dbraw/zinc/40/80/76/947408076.db2.gz XAYMPAOKCNZMLL-YJBOKZPZSA-N 2 2 383.500 1.636 20 0 GDADLP O=C1[C@@H]([N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476633 948383598 /nfs/dbraw/zinc/38/35/98/948383598.db2.gz LODHCLNMDLDCKK-RDJZCZTQSA-N 2 2 392.467 1.965 20 0 GDADLP O=C1[C@@H]([N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476633 948383608 /nfs/dbraw/zinc/38/36/08/948383608.db2.gz LODHCLNMDLDCKK-RDJZCZTQSA-N 2 2 392.467 1.965 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918246 948840139 /nfs/dbraw/zinc/84/01/39/948840139.db2.gz HRQVYIJVGKBLIV-ZDUSSCGKSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918246 948840166 /nfs/dbraw/zinc/84/01/66/948840166.db2.gz HRQVYIJVGKBLIV-ZDUSSCGKSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574918829 948859192 /nfs/dbraw/zinc/85/91/92/948859192.db2.gz RGTSBZJYHNNMEE-CYBMUJFWSA-N 2 2 386.435 1.277 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920937 948913934 /nfs/dbraw/zinc/91/39/34/948913934.db2.gz RMAFAGWZKHKZNE-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920937 948913949 /nfs/dbraw/zinc/91/39/49/948913949.db2.gz RMAFAGWZKHKZNE-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921454 948924902 /nfs/dbraw/zinc/92/49/02/948924902.db2.gz XYNXLNREZFTHCM-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921454 948924918 /nfs/dbraw/zinc/92/49/18/948924918.db2.gz XYNXLNREZFTHCM-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698070 949176750 /nfs/dbraw/zinc/17/67/50/949176750.db2.gz FSOJDYALAHYXDE-KGLIPLIRSA-N 2 2 382.472 1.405 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263780 949407664 /nfs/dbraw/zinc/40/76/64/949407664.db2.gz JKJCGRBFSOILCC-YVEFUNNKSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263780 949407682 /nfs/dbraw/zinc/40/76/82/949407682.db2.gz JKJCGRBFSOILCC-YVEFUNNKSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724289 949864566 /nfs/dbraw/zinc/86/45/66/949864566.db2.gz GNJMSANZJWCLJZ-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574484141 949867810 /nfs/dbraw/zinc/86/78/10/949867810.db2.gz WLJUKEKWDXYMCV-GDBMZVCRSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574726353 949934200 /nfs/dbraw/zinc/93/42/00/949934200.db2.gz ZTKFPLMUKUTXMZ-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575285995 949968109 /nfs/dbraw/zinc/96/81/09/949968109.db2.gz SFGHNKBEBVNFFW-CYBMUJFWSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575904686 950283706 /nfs/dbraw/zinc/28/37/06/950283706.db2.gz AHFRRWQMILMRGP-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907357 950330156 /nfs/dbraw/zinc/33/01/56/950330156.db2.gz NOFLZCPXVIVJFZ-BZNIZROVSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574506793 950442612 /nfs/dbraw/zinc/44/26/12/950442612.db2.gz FWHMKHLLWATDMI-STQMWFEESA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575108355 951925043 /nfs/dbraw/zinc/92/50/43/951925043.db2.gz LPERSXANGNGXLR-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113741 951945689 /nfs/dbraw/zinc/94/56/89/951945689.db2.gz FGFMQIUWLUUKIS-CABCVRRESA-N 2 2 382.472 1.556 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201522 952505315 /nfs/dbraw/zinc/50/53/15/952505315.db2.gz IMJPNSAKRBCDRJ-BBRMVZONSA-N 2 2 380.456 1.159 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191306 952945301 /nfs/dbraw/zinc/94/53/01/952945301.db2.gz PPGJIUVEFYYLBN-LAVFITLUSA-N 2 2 381.484 1.182 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[NH+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191306 952945303 /nfs/dbraw/zinc/94/53/03/952945303.db2.gz PPGJIUVEFYYLBN-LAVFITLUSA-N 2 2 381.484 1.182 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191306 952945309 /nfs/dbraw/zinc/94/53/09/952945309.db2.gz PPGJIUVEFYYLBN-LAVFITLUSA-N 2 2 381.484 1.182 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]2CC[C@@H]1[N@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC001571191306 952945312 /nfs/dbraw/zinc/94/53/12/952945312.db2.gz PPGJIUVEFYYLBN-LAVFITLUSA-N 2 2 381.484 1.182 20 0 GDADLP CC(C)NS(=O)(=O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000180124399 530758281 /nfs/dbraw/zinc/75/82/81/530758281.db2.gz ONKAWTSCNKMAQI-UHFFFAOYSA-N 2 2 388.965 1.509 20 0 GDADLP O=S(=O)(CC[NH2+]Cc1ccc(Cl)o1)N1CCN(c2cccc[nH+]2)CC1 ZINC000069786118 530799639 /nfs/dbraw/zinc/79/96/39/530799639.db2.gz MFTYSOOCWOSEGX-UHFFFAOYSA-N 2 2 384.889 1.570 20 0 GDADLP COc1ccc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)nc1Br ZINC000183118612 530809531 /nfs/dbraw/zinc/80/95/31/530809531.db2.gz NZOIYQSXSZJCEL-UHFFFAOYSA-N 2 2 399.333 1.951 20 0 GDADLP COc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)nc1Br ZINC000183118612 530809534 /nfs/dbraw/zinc/80/95/34/530809534.db2.gz NZOIYQSXSZJCEL-UHFFFAOYSA-N 2 2 399.333 1.951 20 0 GDADLP Cc1nn(C)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Br ZINC000261791572 531099229 /nfs/dbraw/zinc/09/92/29/531099229.db2.gz YYXCZGTXFZYCSY-KGLIPLIRSA-N 2 2 398.349 1.571 20 0 GDADLP Cc1nn(C)c(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Br ZINC000261791572 531099232 /nfs/dbraw/zinc/09/92/32/531099232.db2.gz YYXCZGTXFZYCSY-KGLIPLIRSA-N 2 2 398.349 1.571 20 0 GDADLP C[C@@]1(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000262055217 531106500 /nfs/dbraw/zinc/10/65/00/531106500.db2.gz QNTUBRSZCJRSOF-GOSISDBHSA-N 2 2 396.329 1.972 20 0 GDADLP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357315 531245073 /nfs/dbraw/zinc/24/50/73/531245073.db2.gz OUUUXVFUDNELHE-DOMZBBRYSA-N 2 2 385.917 1.298 20 0 GDADLP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357315 531245076 /nfs/dbraw/zinc/24/50/76/531245076.db2.gz OUUUXVFUDNELHE-DOMZBBRYSA-N 2 2 385.917 1.298 20 0 GDADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007972 531393293 /nfs/dbraw/zinc/39/32/93/531393293.db2.gz PWFOATYCNWVCAG-ZBFHGGJFSA-N 2 2 375.922 1.355 20 0 GDADLP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000482007972 531393299 /nfs/dbraw/zinc/39/32/99/531393299.db2.gz PWFOATYCNWVCAG-ZBFHGGJFSA-N 2 2 375.922 1.355 20 0 GDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377928 531445847 /nfs/dbraw/zinc/44/58/47/531445847.db2.gz KJNXTFPFCYRVKN-HZMBPMFUSA-N 2 2 388.331 1.669 20 0 GDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377928 531445849 /nfs/dbraw/zinc/44/58/49/531445849.db2.gz KJNXTFPFCYRVKN-HZMBPMFUSA-N 2 2 388.331 1.669 20 0 GDADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cc1 ZINC000486454695 531451736 /nfs/dbraw/zinc/45/17/36/531451736.db2.gz JSJSUGCMBUGUHB-OAHLLOKOSA-N 2 2 395.301 1.284 20 0 GDADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Br)cc1 ZINC000486454695 531451743 /nfs/dbraw/zinc/45/17/43/531451743.db2.gz JSJSUGCMBUGUHB-OAHLLOKOSA-N 2 2 395.301 1.284 20 0 GDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3ccc(Br)cn3)CC2)CC1 ZINC000581575607 531498956 /nfs/dbraw/zinc/49/89/56/531498956.db2.gz XVLQAARWNJHLAX-UHFFFAOYSA-N 2 2 381.318 1.830 20 0 GDADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635735887 531507344 /nfs/dbraw/zinc/50/73/44/531507344.db2.gz HCYBXFUAIZBAFE-MRXNPFEDSA-N 2 2 375.579 1.322 20 0 GDADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000635735887 531507350 /nfs/dbraw/zinc/50/73/50/531507350.db2.gz HCYBXFUAIZBAFE-MRXNPFEDSA-N 2 2 375.579 1.322 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000268823278 531575311 /nfs/dbraw/zinc/57/53/11/531575311.db2.gz HQXXPTXQYXEXGZ-ZFWWWQNUSA-N 2 2 386.338 1.566 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000268823278 531575321 /nfs/dbraw/zinc/57/53/21/531575321.db2.gz HQXXPTXQYXEXGZ-ZFWWWQNUSA-N 2 2 386.338 1.566 20 0 GDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177097 531683993 /nfs/dbraw/zinc/68/39/93/531683993.db2.gz PGFDVAWSWXFXCG-GFCCVEGCSA-N 2 2 399.314 1.820 20 0 GDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177097 531683998 /nfs/dbraw/zinc/68/39/98/531683998.db2.gz PGFDVAWSWXFXCG-GFCCVEGCSA-N 2 2 399.314 1.820 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417210780 531758398 /nfs/dbraw/zinc/75/83/98/531758398.db2.gz DLGOXYCTWUKEKJ-ZDUSSCGKSA-N 2 2 382.262 1.275 20 0 GDADLP [NH3+]CC(F)(F)CNC(=O)NCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000417900884 531788829 /nfs/dbraw/zinc/78/88/29/531788829.db2.gz MUPXLWWTJBHDHL-UHFFFAOYSA-N 2 2 375.851 1.355 20 0 GDADLP COCC[NH2+]CCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418014998 531797236 /nfs/dbraw/zinc/79/72/36/531797236.db2.gz CZDOTZNVYSJGMP-UHFFFAOYSA-N 2 2 398.305 1.483 20 0 GDADLP Brc1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)nc1 ZINC000641787985 531852957 /nfs/dbraw/zinc/85/29/57/531852957.db2.gz GUCOMRIRYVVEAD-KRWDZBQOSA-N 2 2 383.334 1.730 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000563571832 531853886 /nfs/dbraw/zinc/85/38/86/531853886.db2.gz HCAMYVRNKKHCLU-GOEBONIOSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000563571832 531853890 /nfs/dbraw/zinc/85/38/90/531853890.db2.gz HCAMYVRNKKHCLU-GOEBONIOSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000563592607 531857038 /nfs/dbraw/zinc/85/70/38/531857038.db2.gz BWEMNPONARMSEA-YPMHNXCESA-N 2 2 385.331 1.880 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CSc3ccc(Br)cc32)[C@H](C[NH3+])C1 ZINC000563592607 531857046 /nfs/dbraw/zinc/85/70/46/531857046.db2.gz BWEMNPONARMSEA-YPMHNXCESA-N 2 2 385.331 1.880 20 0 GDADLP C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463416011 532052533 /nfs/dbraw/zinc/05/25/33/532052533.db2.gz KUEZOLGULVIHRO-UHFFFAOYSA-N 2 2 375.579 1.482 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)[C@@H](C)N3CC[NH+](C)CC3)[nH+]c12 ZINC000274121389 532186837 /nfs/dbraw/zinc/18/68/37/532186837.db2.gz AVYCOJHXKMXQCY-CYBMUJFWSA-N 2 2 394.317 1.657 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@@H]1CCC[NH2+]C1 ZINC000333312909 532228630 /nfs/dbraw/zinc/22/86/30/532228630.db2.gz LXKPFZISOTYHFZ-LLVKDONJSA-N 2 2 384.278 1.554 20 0 GDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430935547 532258942 /nfs/dbraw/zinc/25/89/42/532258942.db2.gz QOCHLNGCYPWTLG-ZDUSSCGKSA-N 2 2 386.327 1.578 20 0 GDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C1 ZINC000430935547 532258945 /nfs/dbraw/zinc/25/89/45/532258945.db2.gz QOCHLNGCYPWTLG-ZDUSSCGKSA-N 2 2 386.327 1.578 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736852107 598969450 /nfs/dbraw/zinc/96/94/50/598969450.db2.gz NLRRFHOJZPOCJF-CYBMUJFWSA-N 2 2 379.472 1.390 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736852107 598969452 /nfs/dbraw/zinc/96/94/52/598969452.db2.gz NLRRFHOJZPOCJF-CYBMUJFWSA-N 2 2 379.472 1.390 20 0 GDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395633 599011503 /nfs/dbraw/zinc/01/15/03/599011503.db2.gz XQPGLRUBZKMINK-VQTJNVASSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395633 599011505 /nfs/dbraw/zinc/01/15/05/599011505.db2.gz XQPGLRUBZKMINK-VQTJNVASSA-N 2 2 378.480 1.839 20 0 GDADLP C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccc(OC(F)F)cc32)CC1 ZINC000821622090 607302883 /nfs/dbraw/zinc/30/28/83/607302883.db2.gz RQAUPRNYFGGLES-UHFFFAOYSA-N 2 2 375.383 1.944 20 0 GDADLP CC[NH+]1CCC([NH2+][C@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736569388 599287185 /nfs/dbraw/zinc/28/71/85/599287185.db2.gz HKCGRNVKGAHPNX-LLVKDONJSA-N 2 2 377.880 1.921 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736852941 598269217 /nfs/dbraw/zinc/26/92/17/598269217.db2.gz SWTUYWSQVVBVOP-UHFFFAOYSA-N 2 2 386.504 1.034 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000736852941 598269218 /nfs/dbraw/zinc/26/92/18/598269218.db2.gz SWTUYWSQVVBVOP-UHFFFAOYSA-N 2 2 386.504 1.034 20 0 GDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735882062 598344885 /nfs/dbraw/zinc/34/48/85/598344885.db2.gz NLUSCUJYORWDEJ-IBGZPJMESA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735882062 598344887 /nfs/dbraw/zinc/34/48/87/598344887.db2.gz NLUSCUJYORWDEJ-IBGZPJMESA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+]C[C@@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652968 598527298 /nfs/dbraw/zinc/52/72/98/598527298.db2.gz ZRMLWSIZZDFSER-CHWSQXEVSA-N 2 2 396.503 1.204 20 0 GDADLP C[NH+](C)C[C@@](C)(O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825855042 607738540 /nfs/dbraw/zinc/73/85/40/607738540.db2.gz GHZGRMPUQQCPPK-KRWDZBQOSA-N 2 2 393.398 1.163 20 0 GDADLP C[N@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821610970 606970055 /nfs/dbraw/zinc/97/00/55/606970055.db2.gz LXPYWXXSPLRRAL-UHFFFAOYSA-N 2 2 384.463 1.799 20 0 GDADLP C[N@@H+](Cc1ccc(F)c(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821610970 606970056 /nfs/dbraw/zinc/97/00/56/606970056.db2.gz LXPYWXXSPLRRAL-UHFFFAOYSA-N 2 2 384.463 1.799 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826389656 608454056 /nfs/dbraw/zinc/45/40/56/608454056.db2.gz DQJKQDMCVQXWEH-GOSISDBHSA-N 2 2 399.499 1.050 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826389656 608454057 /nfs/dbraw/zinc/45/40/57/608454057.db2.gz DQJKQDMCVQXWEH-GOSISDBHSA-N 2 2 399.499 1.050 20 0 GDADLP O=C1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477069 609169675 /nfs/dbraw/zinc/16/96/75/609169675.db2.gz VBEKXCSRAWMAIT-IBGZPJMESA-N 2 2 395.511 1.826 20 0 GDADLP [NH3+][C@H]1C[C@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CCN2C1=O ZINC000566489772 650852413 /nfs/dbraw/zinc/85/24/13/650852413.db2.gz ZDGBVTKWALJCCZ-CABZTGNLSA-N 2 2 379.233 1.885 20 0 GDADLP OCCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000566797173 650866943 /nfs/dbraw/zinc/86/69/43/650866943.db2.gz HGRYHVIQMPQFDU-CVEARBPZSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000566797173 650866948 /nfs/dbraw/zinc/86/69/48/650866948.db2.gz HGRYHVIQMPQFDU-CVEARBPZSA-N 2 2 387.318 1.625 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000570438621 651039730 /nfs/dbraw/zinc/03/97/30/651039730.db2.gz LACNLZUPZDLTOW-UHFFFAOYSA-N 2 2 375.579 1.530 20 0 GDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000423076913 646112255 /nfs/dbraw/zinc/11/22/55/646112255.db2.gz SBWUZGBILILQAT-QGTPRVQTSA-N 2 2 383.330 1.957 20 0 GDADLP CC(C)CC[NH+]1CCC(CNS(=O)(=O)CCC[NH+]2CCOCC2)CC1 ZINC000463844312 647566810 /nfs/dbraw/zinc/56/68/10/647566810.db2.gz BNLBIYKJYSRIRS-UHFFFAOYSA-N 2 2 375.579 1.386 20 0 GDADLP O=C(c1ccc(Br)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000574638255 651555261 /nfs/dbraw/zinc/55/52/61/651555261.db2.gz ZXOMCEPIRUOQSU-UHFFFAOYSA-N 2 2 381.318 1.112 20 0 GDADLP C[C@@H]1C[NH+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@@H](C)O1 ZINC000575690676 651598192 /nfs/dbraw/zinc/59/81/92/651598192.db2.gz KBFMJUFEUKSKBW-CHWSQXEVSA-N 2 2 375.922 1.576 20 0 GDADLP C(C[NH+]1CCO[C@]2(CCSC2)C1)OCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000583260432 652032564 /nfs/dbraw/zinc/03/25/64/652032564.db2.gz PIQJVBPLJFFCQI-QZTJIDSGSA-N 2 2 388.599 1.419 20 0 GDADLP C(C[NH+]1CCO[C@]2(CCSC2)C1)OCC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000583260432 652032571 /nfs/dbraw/zinc/03/25/71/652032571.db2.gz PIQJVBPLJFFCQI-QZTJIDSGSA-N 2 2 388.599 1.419 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617766292 652976302 /nfs/dbraw/zinc/97/63/02/652976302.db2.gz FFVRPLQDIIOTDG-UHFFFAOYSA-N 2 2 382.306 1.939 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1[nH]nc2ccc(Br)cc21 ZINC000617766292 652976303 /nfs/dbraw/zinc/97/63/03/652976303.db2.gz FFVRPLQDIIOTDG-UHFFFAOYSA-N 2 2 382.306 1.939 20 0 GDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637929901 653532290 /nfs/dbraw/zinc/53/22/90/653532290.db2.gz ITWHSCHWAPHBHM-CYBMUJFWSA-N 2 2 390.347 1.870 20 0 GDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000637929901 653532291 /nfs/dbraw/zinc/53/22/91/653532291.db2.gz ITWHSCHWAPHBHM-CYBMUJFWSA-N 2 2 390.347 1.870 20 0 GDADLP C[NH+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637929901 653532293 /nfs/dbraw/zinc/53/22/93/653532293.db2.gz ITWHSCHWAPHBHM-CYBMUJFWSA-N 2 2 390.347 1.870 20 0 GDADLP C[NH+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637929901 653532295 /nfs/dbraw/zinc/53/22/95/653532295.db2.gz ITWHSCHWAPHBHM-CYBMUJFWSA-N 2 2 390.347 1.870 20 0 GDADLP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662905624 654317667 /nfs/dbraw/zinc/31/76/67/654317667.db2.gz FKDOQVRSYIOWOK-JTQLQIEISA-N 2 2 385.331 1.234 20 0 GDADLP O=C(NC[C@H]1C[N@H+]2CCN1CCC2)c1sc2c(c1Br)C[NH2+]C2 ZINC000662905624 654317672 /nfs/dbraw/zinc/31/76/72/654317672.db2.gz FKDOQVRSYIOWOK-JTQLQIEISA-N 2 2 385.331 1.234 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1)N1CCOCC1 ZINC000677236721 654663637 /nfs/dbraw/zinc/66/36/37/654663637.db2.gz UFIATWYDNNXKMA-HUUCEWRRSA-N 2 2 385.555 1.485 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1)N1CCOCC1 ZINC000677236721 654663639 /nfs/dbraw/zinc/66/36/39/654663639.db2.gz UFIATWYDNNXKMA-HUUCEWRRSA-N 2 2 385.555 1.485 20 0 GDADLP COC[C@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCC[C@@H]1COC ZINC000832616026 655041093 /nfs/dbraw/zinc/04/10/93/655041093.db2.gz OJPIBVYKJDXSPS-QZTJIDSGSA-N 2 2 376.563 1.403 20 0 GDADLP COC[C@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCC[C@@H]1COC ZINC000832616026 655041099 /nfs/dbraw/zinc/04/10/99/655041099.db2.gz OJPIBVYKJDXSPS-QZTJIDSGSA-N 2 2 376.563 1.403 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(Br)cc2F)C1 ZINC000866708674 655955778 /nfs/dbraw/zinc/95/57/78/655955778.db2.gz NKRVVGXZMLLYJJ-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(Br)cc2F)C1 ZINC000866708674 655955779 /nfs/dbraw/zinc/95/57/79/655955779.db2.gz NKRVVGXZMLLYJJ-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000876709779 656626225 /nfs/dbraw/zinc/62/62/25/656626225.db2.gz ZXCIOZMPLRGGQL-HOTGVXAUSA-N 2 2 382.302 1.772 20 0 GDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc3nccnc3c2Br)CC1 ZINC000926115261 656736911 /nfs/dbraw/zinc/73/69/11/656736911.db2.gz FGVBHNDRPBKGGH-UHFFFAOYSA-N 2 2 393.289 1.937 20 0 GDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929780757 656984508 /nfs/dbraw/zinc/98/45/08/656984508.db2.gz HAURXRUCEHGKLO-PMPSAXMXSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929780757 656984510 /nfs/dbraw/zinc/98/45/10/656984510.db2.gz HAURXRUCEHGKLO-PMPSAXMXSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780757 656984513 /nfs/dbraw/zinc/98/45/13/656984513.db2.gz HAURXRUCEHGKLO-PMPSAXMXSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780757 656984519 /nfs/dbraw/zinc/98/45/19/656984519.db2.gz HAURXRUCEHGKLO-PMPSAXMXSA-N 2 2 375.579 1.402 20 0 GDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ncc(Br)cc2O)CC1 ZINC000892750084 658347208 /nfs/dbraw/zinc/34/72/08/658347208.db2.gz DMTDKAKNZIMLQJ-UHFFFAOYSA-N 2 2 392.301 1.986 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870844 659386112 /nfs/dbraw/zinc/38/61/12/659386112.db2.gz LKQNWAVNWVAJFR-LJISPDSOSA-N 2 2 382.448 1.197 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870844 659386117 /nfs/dbraw/zinc/38/61/17/659386117.db2.gz LKQNWAVNWVAJFR-LJISPDSOSA-N 2 2 382.448 1.197 20 0 GDADLP CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654619 659565396 /nfs/dbraw/zinc/56/53/96/659565396.db2.gz KZYSBXSUURNQJF-QWHCGFSZSA-N 2 2 386.751 1.735 20 0 GDADLP CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654619 659565398 /nfs/dbraw/zinc/56/53/98/659565398.db2.gz KZYSBXSUURNQJF-QWHCGFSZSA-N 2 2 386.751 1.735 20 0 GDADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@H]21 ZINC001164671525 719452695 /nfs/dbraw/zinc/45/26/95/719452695.db2.gz PYUVZGSZSDUIIR-RTBURBONSA-N 2 2 398.486 1.462 20 0 GDADLP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@H]21 ZINC001164671525 719452699 /nfs/dbraw/zinc/45/26/99/719452699.db2.gz PYUVZGSZSDUIIR-RTBURBONSA-N 2 2 398.486 1.462 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164857367 720864394 /nfs/dbraw/zinc/86/43/94/720864394.db2.gz QOAUYTJOWJTXIY-MSOLQXFVSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164857367 720864396 /nfs/dbraw/zinc/86/43/96/720864396.db2.gz QOAUYTJOWJTXIY-MSOLQXFVSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164865303 720883882 /nfs/dbraw/zinc/88/38/82/720883882.db2.gz ZXXGOZFGYRSWBC-IAGOWNOFSA-N 2 2 393.557 1.203 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164865303 720883884 /nfs/dbraw/zinc/88/38/84/720883884.db2.gz ZXXGOZFGYRSWBC-IAGOWNOFSA-N 2 2 393.557 1.203 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164772239 721162358 /nfs/dbraw/zinc/16/23/58/721162358.db2.gz UQKMSRJNBTUXAB-QZTJIDSGSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)C[C@H]3C2)cn1 ZINC001164772239 721162367 /nfs/dbraw/zinc/16/23/67/721162367.db2.gz UQKMSRJNBTUXAB-QZTJIDSGSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164768469 721225451 /nfs/dbraw/zinc/22/54/51/721225451.db2.gz LDTOBYJAUMVOBO-QZTJIDSGSA-N 2 2 399.568 1.722 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164768469 721225455 /nfs/dbraw/zinc/22/54/55/721225455.db2.gz LDTOBYJAUMVOBO-QZTJIDSGSA-N 2 2 399.568 1.722 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001165010052 721710894 /nfs/dbraw/zinc/71/08/94/721710894.db2.gz YDHPYVJODUTFMW-UHFFFAOYSA-N 3 2 398.559 1.851 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001165010052 721710905 /nfs/dbraw/zinc/71/09/05/721710905.db2.gz YDHPYVJODUTFMW-UHFFFAOYSA-N 3 2 398.559 1.851 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736706118 944876887 /nfs/dbraw/zinc/87/68/87/944876887.db2.gz QROQHWYJJBWALU-KRWDZBQOSA-N 2 2 394.483 1.579 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736706118 944876902 /nfs/dbraw/zinc/87/69/02/944876902.db2.gz QROQHWYJJBWALU-KRWDZBQOSA-N 2 2 394.483 1.579 20 0 GDADLP O=C(N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001571317551 946613113 /nfs/dbraw/zinc/61/31/13/946613113.db2.gz MEUIHYNIVNKJCD-SJORKVTESA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)[C@@H]1CCn2c[nH+]cc2C1 ZINC001571317551 946613122 /nfs/dbraw/zinc/61/31/22/946613122.db2.gz MEUIHYNIVNKJCD-SJORKVTESA-N 2 2 392.467 1.016 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000824548074 946789868 /nfs/dbraw/zinc/78/98/68/946789868.db2.gz VAKKHKRJKBQAMS-IRXDYDNUSA-N 2 2 399.543 1.530 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H]1CN(C)CCO1 ZINC000824547867 946791067 /nfs/dbraw/zinc/79/10/67/946791067.db2.gz TVMZQFLUSJJHNS-KXBFYZLASA-N 2 2 385.516 1.140 20 0 GDADLP CCC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825033970 947051175 /nfs/dbraw/zinc/05/11/75/947051175.db2.gz BKBVSEXSERETEJ-GOSISDBHSA-N 2 2 383.500 1.432 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000826183206 947564345 /nfs/dbraw/zinc/56/43/45/947564345.db2.gz IBDATHCJBLWKSK-DFNIBXOVSA-N 2 2 397.527 1.618 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000826183206 947564355 /nfs/dbraw/zinc/56/43/55/947564355.db2.gz IBDATHCJBLWKSK-DFNIBXOVSA-N 2 2 397.527 1.618 20 0 GDADLP FC(F)(F)COCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826367865 948145896 /nfs/dbraw/zinc/14/58/96/948145896.db2.gz REZUDRWUIRPQEO-UHFFFAOYSA-N 2 2 384.406 2.000 20 0 GDADLP NC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc1 ZINC000826393516 948202036 /nfs/dbraw/zinc/20/20/36/948202036.db2.gz VXAVKVBKOPEFRU-UHFFFAOYSA-N 2 2 391.479 1.720 20 0 GDADLP O=C1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1C1CC1 ZINC000826478889 948389201 /nfs/dbraw/zinc/38/92/01/948389201.db2.gz LLQOHNGRPDSUKN-KRWDZBQOSA-N 2 2 381.484 1.184 20 0 GDADLP c1cnc(NCCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)nc1 ZINC000826525282 948462040 /nfs/dbraw/zinc/46/20/40/948462040.db2.gz DEXLMUCIHYEUDO-UHFFFAOYSA-N 2 2 393.499 1.713 20 0 GDADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)c1c[nH+]c[nH]1 ZINC001573763748 948874588 /nfs/dbraw/zinc/87/45/88/948874588.db2.gz GTDOQOVADJBXHX-LLVKDONJSA-N 2 2 386.485 1.320 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202576 950430109 /nfs/dbraw/zinc/43/01/09/950430109.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202576 950430121 /nfs/dbraw/zinc/43/01/21/950430121.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202576 950430142 /nfs/dbraw/zinc/43/01/42/950430142.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202576 950430159 /nfs/dbraw/zinc/43/01/59/950430159.db2.gz BIKLLGZBRWFYCQ-IHRRRGAJSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205804 950538896 /nfs/dbraw/zinc/53/88/96/950538896.db2.gz PRUCXKFRLNGQHA-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205804 950538910 /nfs/dbraw/zinc/53/89/10/950538910.db2.gz PRUCXKFRLNGQHA-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205804 950538925 /nfs/dbraw/zinc/53/89/25/950538925.db2.gz PRUCXKFRLNGQHA-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205804 950538941 /nfs/dbraw/zinc/53/89/41/950538941.db2.gz PRUCXKFRLNGQHA-UONOGXRCSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574522197 950792789 /nfs/dbraw/zinc/79/27/89/950792789.db2.gz JJCPAFFJJIOUDE-OLZOCXBDSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[NH+]1C ZINC001574771568 950926333 /nfs/dbraw/zinc/92/63/33/950926333.db2.gz GRUUYBYBZMMFNT-BLLLJJGKSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[NH+]1C ZINC001574771568 950926349 /nfs/dbraw/zinc/92/63/49/950926349.db2.gz GRUUYBYBZMMFNT-BLLLJJGKSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574771568 950926365 /nfs/dbraw/zinc/92/63/65/950926365.db2.gz GRUUYBYBZMMFNT-BLLLJJGKSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574771568 950926380 /nfs/dbraw/zinc/92/63/80/950926380.db2.gz GRUUYBYBZMMFNT-BLLLJJGKSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001574774059 950999840 /nfs/dbraw/zinc/99/98/40/950999840.db2.gz BSNNPJTYWXNPCE-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCCn1cc[nH+]c1 ZINC001574774059 950999862 /nfs/dbraw/zinc/99/98/62/950999862.db2.gz BSNNPJTYWXNPCE-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091635 951780723 /nfs/dbraw/zinc/78/07/23/951780723.db2.gz SYIWCWCBYHPLHD-AWEZNQCLSA-N 2 2 382.472 1.075 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167185 952771252 /nfs/dbraw/zinc/77/12/52/952771252.db2.gz XRPJKNSSCYCGKS-BBRMVZONSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167185 952771256 /nfs/dbraw/zinc/77/12/56/952771256.db2.gz XRPJKNSSCYCGKS-BBRMVZONSA-N 2 2 380.456 1.302 20 0 GDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+]([C@@H](C)CC(=O)[O-])CC3)CC2)CC1 ZINC001354059475 962706324 /nfs/dbraw/zinc/70/63/24/962706324.db2.gz SKGBSJZDFDEILV-KRWDZBQOSA-N 2 2 394.560 1.190 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2cc(Br)cs2)CN1CC[NH+]1CCOCC1 ZINC000172697716 530617294 /nfs/dbraw/zinc/61/72/94/530617294.db2.gz VHHGGNGLOSANFZ-ZDUSSCGKSA-N 2 2 388.331 1.533 20 0 GDADLP Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000179010913 530733485 /nfs/dbraw/zinc/73/34/85/530733485.db2.gz YXEHDPHOUKBTLD-INIZCTEOSA-N 2 2 396.329 1.780 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(I)c1 ZINC000261773937 531098342 /nfs/dbraw/zinc/09/83/42/531098342.db2.gz OWBCRIISAASYDN-VXGBXAGGSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(I)c1 ZINC000261773937 531098344 /nfs/dbraw/zinc/09/83/44/531098344.db2.gz OWBCRIISAASYDN-VXGBXAGGSA-N 2 2 385.249 1.771 20 0 GDADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cnc12 ZINC000262187454 531112175 /nfs/dbraw/zinc/11/21/75/531112175.db2.gz XXICPRNPMHAUKL-OAHLLOKOSA-N 2 2 378.318 1.885 20 0 GDADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cnc12 ZINC000262187454 531112178 /nfs/dbraw/zinc/11/21/78/531112178.db2.gz XXICPRNPMHAUKL-OAHLLOKOSA-N 2 2 378.318 1.885 20 0 GDADLP Cc1cc(Br)cn2c(CN3CC[C@@H](N4CC[NH2+]CC4)C3)c[nH+]c12 ZINC000262187454 531112180 /nfs/dbraw/zinc/11/21/80/531112180.db2.gz XXICPRNPMHAUKL-OAHLLOKOSA-N 2 2 378.318 1.885 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1C[C@H](F)CN1Cc1[nH+]ccn1C ZINC000475046257 531290569 /nfs/dbraw/zinc/29/05/69/531290569.db2.gz JQGJJSWLZFEVMQ-SNPRPXQTSA-N 2 2 399.312 1.970 20 0 GDADLP CC(C)(CC[NH+]1CCCCCC1)NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000476561048 531314182 /nfs/dbraw/zinc/31/41/82/531314182.db2.gz ARPXFVTZJJMWBC-UHFFFAOYSA-N 2 2 375.579 1.673 20 0 GDADLP Cc1[nH]c(=O)sc1S(=O)(=O)NCC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000482520799 531400062 /nfs/dbraw/zinc/40/00/62/531400062.db2.gz USZZZIHYKFHLKN-UHFFFAOYSA-N 2 2 399.523 1.472 20 0 GDADLP Cn1cc[nH+]c1CN1C[C@@H](F)C[C@H]1C[NH2+]Cc1c(Br)cnn1C ZINC000279821301 531455672 /nfs/dbraw/zinc/45/56/72/531455672.db2.gz GAIDAIPILOWQPH-RYUDHWBXSA-N 2 2 385.285 1.618 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280727047 531532679 /nfs/dbraw/zinc/53/26/79/531532679.db2.gz NSQTWDAIMIEFLD-JTQLQIEISA-N 2 2 376.320 1.841 20 0 GDADLP Brc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc2c1OCCO2 ZINC000491142304 531550687 /nfs/dbraw/zinc/55/06/87/531550687.db2.gz WRRROXLISGZTDI-AWEZNQCLSA-N 2 2 382.302 1.700 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000558487729 531563315 /nfs/dbraw/zinc/56/33/15/531563315.db2.gz GPNLEJXPFWGITQ-GOSISDBHSA-N 2 2 385.599 1.865 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000558487729 531563320 /nfs/dbraw/zinc/56/33/20/531563320.db2.gz GPNLEJXPFWGITQ-GOSISDBHSA-N 2 2 385.599 1.865 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)CC1 ZINC000589820442 531676356 /nfs/dbraw/zinc/67/63/56/531676356.db2.gz OWNJSGYCDNREPT-HNNXBMFYSA-N 2 2 386.949 1.199 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)CC1 ZINC000589820442 531676364 /nfs/dbraw/zinc/67/63/64/531676364.db2.gz OWNJSGYCDNREPT-HNNXBMFYSA-N 2 2 386.949 1.199 20 0 GDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)[C@H](C)CO1 ZINC000662634297 531692381 /nfs/dbraw/zinc/69/23/81/531692381.db2.gz QWDXYPOULVYWPC-PBFPGSCMSA-N 2 2 384.318 1.848 20 0 GDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)[C@H](C)CO1 ZINC000662634297 531692385 /nfs/dbraw/zinc/69/23/85/531692385.db2.gz QWDXYPOULVYWPC-PBFPGSCMSA-N 2 2 384.318 1.848 20 0 GDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639392836 531692747 /nfs/dbraw/zinc/69/27/47/531692747.db2.gz MGYUDUJBHLXCDC-CQSZACIVSA-N 2 2 388.331 1.623 20 0 GDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)[C@@H]1C[NH+]2CCC1CC2 ZINC000639392836 531692748 /nfs/dbraw/zinc/69/27/48/531692748.db2.gz MGYUDUJBHLXCDC-CQSZACIVSA-N 2 2 388.331 1.623 20 0 GDADLP [NH3+]C[C@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000667671775 531783716 /nfs/dbraw/zinc/78/37/16/531783716.db2.gz KMDMLUSJLBXFOR-NWDGAFQWSA-N 2 2 398.305 1.930 20 0 GDADLP O=C(N[C@H]1CC[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418347295 531821688 /nfs/dbraw/zinc/82/16/88/531821688.db2.gz CZAAIMUOVDSHAO-LBPRGKRZSA-N 2 2 382.262 1.812 20 0 GDADLP Brc1cncc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641788782 531852404 /nfs/dbraw/zinc/85/24/04/531852404.db2.gz ULRRGGOROJEACS-KRWDZBQOSA-N 2 2 383.334 1.730 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000563571830 531853865 /nfs/dbraw/zinc/85/38/65/531853865.db2.gz HCAMYVRNKKHCLU-GDBMZVCRSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@H](C[NH3+])C1 ZINC000563571830 531853870 /nfs/dbraw/zinc/85/38/70/531853870.db2.gz HCAMYVRNKKHCLU-GDBMZVCRSA-N 2 2 396.333 1.312 20 0 GDADLP C[C@@H](CSCCF)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595018119 531864840 /nfs/dbraw/zinc/86/48/40/531864840.db2.gz QEBLJLCXHQBBRO-HNNXBMFYSA-N 2 2 390.550 1.214 20 0 GDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000595929688 531893062 /nfs/dbraw/zinc/89/30/62/531893062.db2.gz XKILSXPMXSZJSB-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP C[C@@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000647907546 531902436 /nfs/dbraw/zinc/90/24/36/531902436.db2.gz MGTRSOBOBCTAJK-LLVKDONJSA-N 2 2 388.921 1.388 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000649320808 531925621 /nfs/dbraw/zinc/92/56/21/531925621.db2.gz ANUBWISHEJGONH-SOLBZPMBSA-N 2 2 396.329 1.681 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000632164777 532015139 /nfs/dbraw/zinc/01/51/39/532015139.db2.gz WGJIYOLQNGAJKM-IAGOWNOFSA-N 2 2 389.949 1.583 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000632164777 532015143 /nfs/dbraw/zinc/01/51/43/532015143.db2.gz WGJIYOLQNGAJKM-IAGOWNOFSA-N 2 2 389.949 1.583 20 0 GDADLP C[NH2+]C[C@H]1CCCN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000576490559 532023414 /nfs/dbraw/zinc/02/34/14/532023414.db2.gz JLOLQHDEHCGMEX-GFCCVEGCSA-N 2 2 398.305 1.896 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423103869 532072435 /nfs/dbraw/zinc/07/24/35/532072435.db2.gz LOMOXRKLEIBNBI-VXGBXAGGSA-N 2 2 396.340 1.628 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2cscc2C(F)(F)F)CN1CC[NH+]1CCOCC1 ZINC000581221055 532077768 /nfs/dbraw/zinc/07/77/68/532077768.db2.gz VNRSHSJYFSHEMN-ZDUSSCGKSA-N 2 2 377.432 1.790 20 0 GDADLP OC1(C[NH+]2CCOCC2)CC[NH+](CCOc2ccccc2Br)CC1 ZINC000374797713 532137720 /nfs/dbraw/zinc/13/77/20/532137720.db2.gz FVZDCZSLVBJBLN-UHFFFAOYSA-N 2 2 399.329 1.987 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)[nH+]c12 ZINC000333863253 532252909 /nfs/dbraw/zinc/25/29/09/532252909.db2.gz ZUUIUIQIYMICOB-TXEJJXNPSA-N 2 2 378.274 1.766 20 0 GDADLP C[C@@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000430624155 532253618 /nfs/dbraw/zinc/25/36/18/532253618.db2.gz IIVCTEHWQYIYNG-GFCCVEGCSA-N 2 2 387.311 1.534 20 0 GDADLP C[C@@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)cc1Cl ZINC000430624155 532253621 /nfs/dbraw/zinc/25/36/21/532253621.db2.gz IIVCTEHWQYIYNG-GFCCVEGCSA-N 2 2 387.311 1.534 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821621696 607300969 /nfs/dbraw/zinc/30/09/69/607300969.db2.gz CCVLOAUVXMRDCQ-UHFFFAOYSA-N 2 2 392.895 1.013 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1ncc(-c2nn[nH]n2)cc1Cl ZINC000821621696 607300970 /nfs/dbraw/zinc/30/09/70/607300970.db2.gz CCVLOAUVXMRDCQ-UHFFFAOYSA-N 2 2 392.895 1.013 20 0 GDADLP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735880707 598344859 /nfs/dbraw/zinc/34/48/59/598344859.db2.gz AOSYDYUGKSIDNC-IBGZPJMESA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)[N@H+]1CCO[C@@H](CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735880707 598344861 /nfs/dbraw/zinc/34/48/61/598344861.db2.gz AOSYDYUGKSIDNC-IBGZPJMESA-N 2 2 385.516 1.094 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502926 598367895 /nfs/dbraw/zinc/36/78/95/598367895.db2.gz PFMRSCPOHMQFKD-MSOLQXFVSA-N 2 2 392.467 1.814 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502926 598367897 /nfs/dbraw/zinc/36/78/97/598367897.db2.gz PFMRSCPOHMQFKD-MSOLQXFVSA-N 2 2 392.467 1.814 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860415 598624273 /nfs/dbraw/zinc/62/42/73/598624273.db2.gz POPGBPIFDSKOBG-SFHVURJKSA-N 2 2 383.500 1.385 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860415 598624275 /nfs/dbraw/zinc/62/42/75/598624275.db2.gz POPGBPIFDSKOBG-SFHVURJKSA-N 2 2 383.500 1.385 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860415 598624277 /nfs/dbraw/zinc/62/42/77/598624277.db2.gz POPGBPIFDSKOBG-SFHVURJKSA-N 2 2 383.500 1.385 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860415 598624279 /nfs/dbraw/zinc/62/42/79/598624279.db2.gz POPGBPIFDSKOBG-SFHVURJKSA-N 2 2 383.500 1.385 20 0 GDADLP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738387178 598763069 /nfs/dbraw/zinc/76/30/69/598763069.db2.gz NSEZPVTZVYQLRH-RDJZCZTQSA-N 2 2 395.467 1.435 20 0 GDADLP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738387178 598763071 /nfs/dbraw/zinc/76/30/71/598763071.db2.gz NSEZPVTZVYQLRH-RDJZCZTQSA-N 2 2 395.467 1.435 20 0 GDADLP Cc1cc(-c2nn[nH]n2)ccc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000826247375 607677390 /nfs/dbraw/zinc/67/73/90/607677390.db2.gz ASMOIPLJLMCDQB-UHFFFAOYSA-N 2 2 383.500 1.464 20 0 GDADLP CC[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243184 606679011 /nfs/dbraw/zinc/67/90/11/606679011.db2.gz ZVGNCFAFLRQMRA-QAPCUYQASA-N 2 2 398.515 1.034 20 0 GDADLP CC[N@H+]1C[C@@H](C)[C@@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000821243184 606679012 /nfs/dbraw/zinc/67/90/12/606679012.db2.gz ZVGNCFAFLRQMRA-QAPCUYQASA-N 2 2 398.515 1.034 20 0 GDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820684888 606965741 /nfs/dbraw/zinc/96/57/41/606965741.db2.gz STRHKMGZHFWQQT-HOTGVXAUSA-N 2 2 387.507 1.996 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826182576 608170846 /nfs/dbraw/zinc/17/08/46/608170846.db2.gz NXCOHHCZLWBUPC-CRAIPNDOSA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826182576 608170848 /nfs/dbraw/zinc/17/08/48/608170848.db2.gz NXCOHHCZLWBUPC-CRAIPNDOSA-N 2 2 385.516 1.333 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849761 608846998 /nfs/dbraw/zinc/84/69/98/608846998.db2.gz MNXVHDNSUCONMU-HYVNUMGLSA-N 2 2 382.472 1.198 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849761 608846999 /nfs/dbraw/zinc/84/69/99/608846999.db2.gz MNXVHDNSUCONMU-HYVNUMGLSA-N 2 2 382.472 1.198 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547129 609144003 /nfs/dbraw/zinc/14/40/03/609144003.db2.gz MSLMHJFUFJAVGY-ZBFHGGJFSA-N 2 2 389.479 1.063 20 0 GDADLP C[C@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000566559771 650855322 /nfs/dbraw/zinc/85/53/22/650855322.db2.gz WLVNQDABNXYPMC-RDTXWAMCSA-N 2 2 397.361 1.623 20 0 GDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566797177 650867406 /nfs/dbraw/zinc/86/74/06/650867406.db2.gz HGRYHVIQMPQFDU-JKSUJKDBSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000566797177 650867411 /nfs/dbraw/zinc/86/74/11/650867411.db2.gz HGRYHVIQMPQFDU-JKSUJKDBSA-N 2 2 387.318 1.625 20 0 GDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422734518 646098787 /nfs/dbraw/zinc/09/87/87/646098787.db2.gz TYMSPHZYOZKSRY-JKSUJKDBSA-N 2 2 382.302 1.536 20 0 GDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2nc3c(cccc3Br)[nH]2)CC1 ZINC000514668534 648458288 /nfs/dbraw/zinc/45/82/88/648458288.db2.gz IHPIKEXQTGBZHA-LBPRGKRZSA-N 2 2 382.306 1.023 20 0 GDADLP O=C(C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000613555759 652958599 /nfs/dbraw/zinc/95/85/99/652958599.db2.gz YUFCKLHZJLFQPJ-CHWSQXEVSA-N 2 2 384.311 1.188 20 0 GDADLP COc1nc(C)c(Br)cc1C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764975 652976353 /nfs/dbraw/zinc/97/63/53/652976353.db2.gz OUNFRSHTLKNQGF-UHFFFAOYSA-N 2 2 387.322 1.774 20 0 GDADLP COc1nc(C)c(Br)cc1C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764975 652976354 /nfs/dbraw/zinc/97/63/54/652976354.db2.gz OUNFRSHTLKNQGF-UHFFFAOYSA-N 2 2 387.322 1.774 20 0 GDADLP [NH3+]CC[C@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000632953191 653416195 /nfs/dbraw/zinc/41/61/95/653416195.db2.gz PNGOBGONRHTDRP-LBPRGKRZSA-N 2 2 377.436 1.714 20 0 GDADLP COc1ncc(Br)cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662245334 654290651 /nfs/dbraw/zinc/29/06/51/654290651.db2.gz TVXRMFPAIFJRII-ZDUSSCGKSA-N 2 2 397.317 1.497 20 0 GDADLP COc1ncc(Br)cc1C[N@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662245334 654290653 /nfs/dbraw/zinc/29/06/53/654290653.db2.gz TVXRMFPAIFJRII-ZDUSSCGKSA-N 2 2 397.317 1.497 20 0 GDADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662682256 654299621 /nfs/dbraw/zinc/29/96/21/654299621.db2.gz PHMJTFLSFGXOBK-MRXNPFEDSA-N 2 2 387.311 1.581 20 0 GDADLP CN(C(=O)NCc1n[nH]cc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219154 654724748 /nfs/dbraw/zinc/72/47/48/654724748.db2.gz VBEBMVDNACBMSN-CYBMUJFWSA-N 2 2 399.337 1.482 20 0 GDADLP CN(C(=O)NCc1n[nH]cc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219154 654724749 /nfs/dbraw/zinc/72/47/49/654724749.db2.gz VBEBMVDNACBMSN-CYBMUJFWSA-N 2 2 399.337 1.482 20 0 GDADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786861 655176832 /nfs/dbraw/zinc/17/68/32/655176832.db2.gz LHPSIVIMOKCZKJ-ZBEGNZNMSA-N 2 2 378.441 1.409 20 0 GDADLP COc1cc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786861 655176835 /nfs/dbraw/zinc/17/68/35/655176835.db2.gz LHPSIVIMOKCZKJ-ZBEGNZNMSA-N 2 2 378.441 1.409 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1Cl ZINC000840898998 655302997 /nfs/dbraw/zinc/30/29/97/655302997.db2.gz MBKMTEUTYOTZLR-OAHLLOKOSA-N 2 2 387.933 1.720 20 0 GDADLP [NH3+]CCCCCC[NH+]1CCN(S(=O)(=O)c2ccc(F)c(F)c2F)CC1 ZINC000846218029 655450008 /nfs/dbraw/zinc/45/00/08/655450008.db2.gz HIGWFYDGXYOVTP-UHFFFAOYSA-N 2 2 379.448 1.929 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nccn2c(Br)cnc12 ZINC000855415521 655693792 /nfs/dbraw/zinc/69/37/92/655693792.db2.gz YDQLMZGYZOFGQX-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nccn2c(Br)cnc12 ZINC000855415521 655693793 /nfs/dbraw/zinc/69/37/93/655693793.db2.gz YDQLMZGYZOFGQX-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000855417306 655693909 /nfs/dbraw/zinc/69/39/09/655693909.db2.gz FMRIWMYGNCIBSC-GFCCVEGCSA-N 2 2 399.171 1.882 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@]1(C)CC1(Br)Br ZINC000855417306 655693910 /nfs/dbraw/zinc/69/39/10/655693910.db2.gz FMRIWMYGNCIBSC-GFCCVEGCSA-N 2 2 399.171 1.882 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000876709778 656625938 /nfs/dbraw/zinc/62/59/38/656625938.db2.gz ZXCIOZMPLRGGQL-CVEARBPZSA-N 2 2 382.302 1.772 20 0 GDADLP C[NH+](C)C[C@@H](O)CNc1[nH+]cnc2c1cnn2-c1cccc(Br)c1 ZINC000891744792 658268698 /nfs/dbraw/zinc/26/86/98/658268698.db2.gz AQYRIRMQSKIBCB-ZDUSSCGKSA-N 2 2 391.273 1.912 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cn(C)nc3Br)CC2)CC1 ZINC000897997820 658909821 /nfs/dbraw/zinc/90/98/21/658909821.db2.gz KPDSOTBXFQIHMT-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cn(C)nc3Br)CC2)CC1 ZINC000897997820 658909828 /nfs/dbraw/zinc/90/98/28/658909828.db2.gz KPDSOTBXFQIHMT-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CCn1c(Br)ncc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668679 659132640 /nfs/dbraw/zinc/13/26/40/659132640.db2.gz FOOLGFZRPUADGV-CQSZACIVSA-N 2 2 398.349 1.906 20 0 GDADLP CCn1c(Br)ncc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668679 659132643 /nfs/dbraw/zinc/13/26/43/659132643.db2.gz FOOLGFZRPUADGV-CQSZACIVSA-N 2 2 398.349 1.906 20 0 GDADLP COC(=O)[C@@H]1C[NH2+]CCN1c1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC001164629437 719135636 /nfs/dbraw/zinc/13/56/36/719135636.db2.gz AXYFDHGDASFVHY-AWEZNQCLSA-N 2 2 389.525 1.855 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)[nH+]1 ZINC001164746352 720600754 /nfs/dbraw/zinc/60/07/54/720600754.db2.gz XYQRWPUFCPTNIM-DLBZAZTESA-N 2 2 381.484 1.517 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@H]3C2)[nH+]1 ZINC001164746352 720600768 /nfs/dbraw/zinc/60/07/68/720600768.db2.gz XYQRWPUFCPTNIM-DLBZAZTESA-N 2 2 381.484 1.517 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@@H]2C1 ZINC001164858648 720883205 /nfs/dbraw/zinc/88/32/05/720883205.db2.gz LOFKBIDUBPGEHS-GUDVDZBRSA-N 2 2 389.544 1.886 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@@H](C)C4)[nH+]cn3)CC[C@@H]2C1 ZINC001164858648 720883207 /nfs/dbraw/zinc/88/32/07/720883207.db2.gz LOFKBIDUBPGEHS-GUDVDZBRSA-N 2 2 389.544 1.886 20 0 GDADLP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164865924 721109663 /nfs/dbraw/zinc/10/96/63/721109663.db2.gz PWMHIKREACAZNF-RBUKOAKNSA-N 2 2 396.495 1.188 20 0 GDADLP c1cncc(CO[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164865924 721109665 /nfs/dbraw/zinc/10/96/65/721109665.db2.gz PWMHIKREACAZNF-RBUKOAKNSA-N 2 2 396.495 1.188 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)[nH+]2)CC1 ZINC001164782347 721417209 /nfs/dbraw/zinc/41/72/09/721417209.db2.gz FSNUAHDSMNKDQX-IRXDYDNUSA-N 3 2 384.553 1.858 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282690 945858542 /nfs/dbraw/zinc/85/85/42/945858542.db2.gz NRQPWDRQCXXEMO-PBHICJAKSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282690 945858557 /nfs/dbraw/zinc/85/85/57/945858557.db2.gz NRQPWDRQCXXEMO-PBHICJAKSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282690 945858573 /nfs/dbraw/zinc/85/85/73/945858573.db2.gz NRQPWDRQCXXEMO-PBHICJAKSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001571282690 945858586 /nfs/dbraw/zinc/85/85/86/945858586.db2.gz NRQPWDRQCXXEMO-PBHICJAKSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294480 946136655 /nfs/dbraw/zinc/13/66/55/946136655.db2.gz HJFQIESLHLQBPP-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294480 946136662 /nfs/dbraw/zinc/13/66/62/946136662.db2.gz HJFQIESLHLQBPP-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294480 946136668 /nfs/dbraw/zinc/13/66/68/946136668.db2.gz HJFQIESLHLQBPP-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294480 946136675 /nfs/dbraw/zinc/13/66/75/946136675.db2.gz HJFQIESLHLQBPP-DZGCQCFKSA-N 2 2 389.529 1.493 20 0 GDADLP O=C1[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476419 948381242 /nfs/dbraw/zinc/38/12/42/948381242.db2.gz HJSKMMVJTSJZOS-ROUUACIJSA-N 2 2 392.467 1.896 20 0 GDADLP O=C1[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476419 948381250 /nfs/dbraw/zinc/38/12/50/948381250.db2.gz HJSKMMVJTSJZOS-ROUUACIJSA-N 2 2 392.467 1.896 20 0 GDADLP C[C@@H](C(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCCCC1 ZINC001573714689 948474609 /nfs/dbraw/zinc/47/46/09/948474609.db2.gz IRKVHMLFDHKYHT-AWEZNQCLSA-N 2 2 391.545 1.741 20 0 GDADLP C[C@@H](C(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCCCC1 ZINC001573714689 948474612 /nfs/dbraw/zinc/47/46/12/948474612.db2.gz IRKVHMLFDHKYHT-AWEZNQCLSA-N 2 2 391.545 1.741 20 0 GDADLP C[C@@H]1[C@H](NC(=O)C[N@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878799 949679560 /nfs/dbraw/zinc/67/95/60/949679560.db2.gz PFDQGDYEVCSCDY-CZUORRHYSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@@H]1[C@H](NC(=O)C[N@@H+](C)C2CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575878799 949679575 /nfs/dbraw/zinc/67/95/75/949679575.db2.gz PFDQGDYEVCSCDY-CZUORRHYSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575281847 949821218 /nfs/dbraw/zinc/82/12/18/949821218.db2.gz AXGPVJHOLYWQDD-ZDUSSCGKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574483521 949826818 /nfs/dbraw/zinc/82/68/18/949826818.db2.gz BHLQCWNYQSDRFH-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575282423 949831682 /nfs/dbraw/zinc/83/16/82/949831682.db2.gz BLEZAPIFFAGEBP-CABCVRRESA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502151 950356433 /nfs/dbraw/zinc/35/64/33/950356433.db2.gz JRWNVGDFTUSAGH-HOCLYGCPSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502151 950356451 /nfs/dbraw/zinc/35/64/51/950356451.db2.gz JRWNVGDFTUSAGH-HOCLYGCPSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199212 950420804 /nfs/dbraw/zinc/42/08/04/950420804.db2.gz XKOLQOXTVNACMQ-CQSZACIVSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199212 950420818 /nfs/dbraw/zinc/42/08/18/950420818.db2.gz XKOLQOXTVNACMQ-CQSZACIVSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199212 950420831 /nfs/dbraw/zinc/42/08/31/950420831.db2.gz XKOLQOXTVNACMQ-CQSZACIVSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199212 950420844 /nfs/dbraw/zinc/42/08/44/950420844.db2.gz XKOLQOXTVNACMQ-CQSZACIVSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207869 950598210 /nfs/dbraw/zinc/59/82/10/950598210.db2.gz KQTDFAVESUEPRD-CYBMUJFWSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207869 950598232 /nfs/dbraw/zinc/59/82/32/950598232.db2.gz KQTDFAVESUEPRD-CYBMUJFWSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207869 950598240 /nfs/dbraw/zinc/59/82/40/950598240.db2.gz KQTDFAVESUEPRD-CYBMUJFWSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207869 950598263 /nfs/dbraw/zinc/59/82/63/950598263.db2.gz KQTDFAVESUEPRD-CYBMUJFWSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574521761 950783228 /nfs/dbraw/zinc/78/32/28/950783228.db2.gz HMBNKLHDXVIHFH-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1cc[nH+]c1 ZINC001574524369 950857772 /nfs/dbraw/zinc/85/77/72/950857772.db2.gz VZDLUJLRNVTDDY-CHWSQXEVSA-N 2 2 388.501 1.588 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH+]cn1C ZINC001574524482 950861210 /nfs/dbraw/zinc/86/12/10/950861210.db2.gz XABQLUAZMCQNRQ-UONOGXRCSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574524724 950872648 /nfs/dbraw/zinc/87/26/48/950872648.db2.gz YVJYMHYAQKPETG-CABCVRRESA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080129 951703858 /nfs/dbraw/zinc/70/38/58/951703858.db2.gz VPXACUBHJSYZBC-ZDUSSCGKSA-N 2 2 386.435 1.135 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001575101212 951856238 /nfs/dbraw/zinc/85/62/38/951856238.db2.gz AYTGCYQTLBKYND-ZDUSSCGKSA-N 2 2 386.435 1.135 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119915 952497173 /nfs/dbraw/zinc/49/71/73/952497173.db2.gz GWNYDKFHXFZHCB-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119915 952497175 /nfs/dbraw/zinc/49/71/75/952497175.db2.gz GWNYDKFHXFZHCB-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119915 952497179 /nfs/dbraw/zinc/49/71/79/952497179.db2.gz GWNYDKFHXFZHCB-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119915 952497182 /nfs/dbraw/zinc/49/71/82/952497182.db2.gz GWNYDKFHXFZHCB-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP Cc1cc(Br)ccc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000178904616 530729864 /nfs/dbraw/zinc/72/98/64/530729864.db2.gz GKSQLFUGIYZZBS-KRWDZBQOSA-N 2 2 396.329 1.780 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+](Cc2ccncc2)CC1)c1cccs1 ZINC000181533209 530785772 /nfs/dbraw/zinc/78/57/72/530785772.db2.gz LOUOPWKLJZWAJD-UHFFFAOYSA-N 2 2 380.539 1.676 20 0 GDADLP O=C(CN1CC[NH+](CCn2cc[nH+]c2)CC1)Nc1ccc(Br)cc1 ZINC000077119946 530806390 /nfs/dbraw/zinc/80/63/90/530806390.db2.gz KXJHGDHDEGTMFI-UHFFFAOYSA-N 2 2 392.301 1.902 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000126364928 531017824 /nfs/dbraw/zinc/01/78/24/531017824.db2.gz WNCPLHBHUUTCEY-UHFFFAOYSA-N 2 2 398.349 1.740 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cn1 ZINC000126364928 531017828 /nfs/dbraw/zinc/01/78/28/531017828.db2.gz WNCPLHBHUUTCEY-UHFFFAOYSA-N 2 2 398.349 1.740 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246218726 531064923 /nfs/dbraw/zinc/06/49/23/531064923.db2.gz FHWYFXLUUHVFFE-SZMVWBNQSA-N 2 2 375.579 1.620 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246218726 531064924 /nfs/dbraw/zinc/06/49/24/531064924.db2.gz FHWYFXLUUHVFFE-SZMVWBNQSA-N 2 2 375.579 1.620 20 0 GDADLP Cn1ncc(Br)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880938 531101749 /nfs/dbraw/zinc/10/17/49/531101749.db2.gz MLJCAILIUCDLNS-TZMCWYRMSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1ncc(Br)c1C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880938 531101753 /nfs/dbraw/zinc/10/17/53/531101753.db2.gz MLJCAILIUCDLNS-TZMCWYRMSA-N 2 2 384.322 1.263 20 0 GDADLP CC[NH+](CCCCC[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000157395899 531206565 /nfs/dbraw/zinc/20/65/65/531206565.db2.gz CMANGEFWLLFSDW-IAGOWNOFSA-N 2 2 394.603 1.175 20 0 GDADLP CC[NH+](CCCCC[N@H+](CC)[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCS(=O)(=O)C1 ZINC000157395899 531206566 /nfs/dbraw/zinc/20/65/66/531206566.db2.gz CMANGEFWLLFSDW-IAGOWNOFSA-N 2 2 394.603 1.175 20 0 GDADLP NC(=O)NC(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411719194 531336009 /nfs/dbraw/zinc/33/60/09/531336009.db2.gz KWIJYGGACSTDRE-UHFFFAOYSA-N 2 2 384.234 1.326 20 0 GDADLP NC(=O)NC(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411719194 531336014 /nfs/dbraw/zinc/33/60/14/531336014.db2.gz KWIJYGGACSTDRE-UHFFFAOYSA-N 2 2 384.234 1.326 20 0 GDADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@H]2C[NH2+]CCO2)CC1 ZINC000415092931 531465188 /nfs/dbraw/zinc/46/51/88/531465188.db2.gz HEBXOQZSRUEBCZ-MRXNPFEDSA-N 2 2 396.329 1.940 20 0 GDADLP COC(=O)C[C@@H]1CSCC[NH+]1CCC[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000489289812 531496065 /nfs/dbraw/zinc/49/60/65/531496065.db2.gz KFYPJCCXGYOMHM-HUUCEWRRSA-N 2 2 390.571 1.338 20 0 GDADLP COC(=O)C[C@@H]1CSCC[NH+]1CCC[N@@H+]1CCSC[C@H]1CC(=O)OC ZINC000489289812 531496073 /nfs/dbraw/zinc/49/60/73/531496073.db2.gz KFYPJCCXGYOMHM-HUUCEWRRSA-N 2 2 390.571 1.338 20 0 GDADLP Cn1ncc(Br)c1CNC(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000636986162 531592465 /nfs/dbraw/zinc/59/24/65/531592465.db2.gz IESLOWGDNHQGCF-UHFFFAOYSA-N 2 2 387.326 1.008 20 0 GDADLP [NH3+]C[C@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCCO1 ZINC000417226739 531762272 /nfs/dbraw/zinc/76/22/72/531762272.db2.gz UTWQBPGVCKLHIX-ZDUSSCGKSA-N 2 2 382.262 1.356 20 0 GDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@@H](C)O1 ZINC000563003746 531797187 /nfs/dbraw/zinc/79/71/87/531797187.db2.gz WNOWSFILXXLBLR-NFAWXSAZSA-N 2 2 390.933 1.303 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccccc2Br)CC1 ZINC000297850546 531827025 /nfs/dbraw/zinc/82/70/25/531827025.db2.gz LEYBNMCDUBAFKQ-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3C[NH2+]CCO3)[nH+]c12 ZINC000563584638 531854920 /nfs/dbraw/zinc/85/49/20/531854920.db2.gz UMCXMXAEMUDOTF-ZDUSSCGKSA-N 2 2 382.262 1.193 20 0 GDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000647873481 531899185 /nfs/dbraw/zinc/89/91/85/531899185.db2.gz ORDJELSICBSEKU-LBPRGKRZSA-N 2 2 390.709 1.973 20 0 GDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)[C@@H](C[NH3+])C1 ZINC000647873481 531899189 /nfs/dbraw/zinc/89/91/89/531899189.db2.gz ORDJELSICBSEKU-LBPRGKRZSA-N 2 2 390.709 1.973 20 0 GDADLP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000647956138 531907067 /nfs/dbraw/zinc/90/70/67/531907067.db2.gz DXEAWTDJJDDVOV-HNNXBMFYSA-N 2 2 375.560 1.192 20 0 GDADLP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000647956138 531907071 /nfs/dbraw/zinc/90/70/71/531907071.db2.gz DXEAWTDJJDDVOV-HNNXBMFYSA-N 2 2 375.560 1.192 20 0 GDADLP O=S(=O)(NCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000629581331 531983966 /nfs/dbraw/zinc/98/39/66/531983966.db2.gz WJNALPXYIHMMHM-GFCCVEGCSA-N 2 2 396.340 1.318 20 0 GDADLP Cc1c(Br)cncc1C[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657368526 532005529 /nfs/dbraw/zinc/00/55/29/532005529.db2.gz YAMYSDDPKPEROX-OAHLLOKOSA-N 2 2 397.317 1.175 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(I)cc1 ZINC000576704466 532027328 /nfs/dbraw/zinc/02/73/28/532027328.db2.gz SJULGUYYHYRWQD-NWDGAFQWSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(I)cc1 ZINC000576704466 532027337 /nfs/dbraw/zinc/02/73/37/532027337.db2.gz SJULGUYYHYRWQD-NWDGAFQWSA-N 2 2 385.249 1.771 20 0 GDADLP C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000576849127 532029291 /nfs/dbraw/zinc/02/92/91/532029291.db2.gz LOTVCJFJCGKECO-WCQYABFASA-N 2 2 387.297 1.804 20 0 GDADLP C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000576849127 532029292 /nfs/dbraw/zinc/02/92/92/532029292.db2.gz LOTVCJFJCGKECO-WCQYABFASA-N 2 2 387.297 1.804 20 0 GDADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422856741 532067951 /nfs/dbraw/zinc/06/79/51/532067951.db2.gz GASKDXRVHZFFHY-IRXDYDNUSA-N 2 2 396.329 1.926 20 0 GDADLP COc1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000424659791 532102934 /nfs/dbraw/zinc/10/29/34/532102934.db2.gz SQWVPMRIURRQMF-UHFFFAOYSA-N 2 2 399.333 1.951 20 0 GDADLP COc1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000424659791 532102939 /nfs/dbraw/zinc/10/29/39/532102939.db2.gz SQWVPMRIURRQMF-UHFFFAOYSA-N 2 2 399.333 1.951 20 0 GDADLP CC(C)(CNC(=O)CN1CC[NH+](CCc2ccccc2)CC1)[NH+]1CCOCC1 ZINC000023672298 207280846 /nfs/dbraw/zinc/28/08/46/207280846.db2.gz BXKLCHCIKQAZIO-UHFFFAOYSA-N 2 2 388.556 1.074 20 0 GDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438115 599073414 /nfs/dbraw/zinc/07/34/14/599073414.db2.gz YQAGUOMYEJKMBU-KDOFPFPSSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438115 599073417 /nfs/dbraw/zinc/07/34/17/599073417.db2.gz YQAGUOMYEJKMBU-KDOFPFPSSA-N 2 2 392.467 1.531 20 0 GDADLP NC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737735357 599090419 /nfs/dbraw/zinc/09/04/19/599090419.db2.gz CJYRUICOVVBUPU-IBGZPJMESA-N 2 2 391.479 1.779 20 0 GDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)CC1 ZINC000736573587 599287175 /nfs/dbraw/zinc/28/71/75/599287175.db2.gz ZXDQGLLMPLMJMS-NSHDSACASA-N 2 2 389.529 1.818 20 0 GDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+](C)C1CC1 ZINC000736017189 598270844 /nfs/dbraw/zinc/27/08/44/598270844.db2.gz JYIBNEXBPBPFEX-HNNXBMFYSA-N 2 2 398.515 1.177 20 0 GDADLP C[C@@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[N@@H+](C)C1CC1 ZINC000736017189 598270846 /nfs/dbraw/zinc/27/08/46/598270846.db2.gz JYIBNEXBPBPFEX-HNNXBMFYSA-N 2 2 398.515 1.177 20 0 GDADLP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735856924 598304619 /nfs/dbraw/zinc/30/46/19/598304619.db2.gz LTGOZVHZQUEMBH-UHFFFAOYSA-N 2 2 386.504 1.034 20 0 GDADLP CC(C)[N@@H+](C)CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000735856924 598304621 /nfs/dbraw/zinc/30/46/21/598304621.db2.gz LTGOZVHZQUEMBH-UHFFFAOYSA-N 2 2 386.504 1.034 20 0 GDADLP c1cn(Cc2cccc(C[NH2+]C[C@@H]3CNc4c(-c5nn[nH]n5)cnn4C3)c2)c[nH+]1 ZINC000738411302 598521835 /nfs/dbraw/zinc/52/18/35/598521835.db2.gz UICIYJRNOVFGPB-MRXNPFEDSA-N 2 2 390.455 1.140 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286129 599316378 /nfs/dbraw/zinc/31/63/78/599316378.db2.gz LYKKOQUSVMCXCA-JTDSTZFVSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286129 599316381 /nfs/dbraw/zinc/31/63/81/599316381.db2.gz LYKKOQUSVMCXCA-JTDSTZFVSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000736286129 599316384 /nfs/dbraw/zinc/31/63/84/599316384.db2.gz LYKKOQUSVMCXCA-JTDSTZFVSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000736286129 599316389 /nfs/dbraw/zinc/31/63/89/599316389.db2.gz LYKKOQUSVMCXCA-JTDSTZFVSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H]([NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820420314 599462258 /nfs/dbraw/zinc/46/22/58/599462258.db2.gz OZOQGCSFXYLTFX-KGLIPLIRSA-N 2 2 390.455 1.641 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000822337206 599524311 /nfs/dbraw/zinc/52/43/11/599524311.db2.gz VIDGIAAXTIXTRJ-SJORKVTESA-N 2 2 379.468 1.759 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822478952 606617099 /nfs/dbraw/zinc/61/70/99/606617099.db2.gz WFUYZAPOBYGRGA-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822478952 606617101 /nfs/dbraw/zinc/61/71/01/606617101.db2.gz WFUYZAPOBYGRGA-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822477179 606617307 /nfs/dbraw/zinc/61/73/07/606617307.db2.gz IVUSAXVDLXMUBE-ZDUSSCGKSA-N 2 2 386.485 1.926 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822477179 606617309 /nfs/dbraw/zinc/61/73/09/606617309.db2.gz IVUSAXVDLXMUBE-ZDUSSCGKSA-N 2 2 386.485 1.926 20 0 GDADLP C[C@@H]1CC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000820722120 607098037 /nfs/dbraw/zinc/09/80/37/607098037.db2.gz FXAZBDZBZNEFNC-JLSDUUJJSA-N 2 2 392.467 1.752 20 0 GDADLP C[C@@H]1CC[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000820722120 607098039 /nfs/dbraw/zinc/09/80/39/607098039.db2.gz FXAZBDZBZNEFNC-JLSDUUJJSA-N 2 2 392.467 1.752 20 0 GDADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716589 607098069 /nfs/dbraw/zinc/09/80/69/607098069.db2.gz JVGHRPNBOKTWGY-CKEIUWERSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716589 607098071 /nfs/dbraw/zinc/09/80/71/607098071.db2.gz JVGHRPNBOKTWGY-CKEIUWERSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716744 607098203 /nfs/dbraw/zinc/09/82/03/607098203.db2.gz KUMOHJJLDKYCTI-CKEIUWERSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716744 607098205 /nfs/dbraw/zinc/09/82/05/607098205.db2.gz KUMOHJJLDKYCTI-CKEIUWERSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586038 609141035 /nfs/dbraw/zinc/14/10/35/609141035.db2.gz WMBBVKSWFRIQEG-JSGCOSHPSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586038 609141037 /nfs/dbraw/zinc/14/10/37/609141037.db2.gz WMBBVKSWFRIQEG-JSGCOSHPSA-N 2 2 375.452 1.244 20 0 GDADLP CCN1CCO[C@H](C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825465095 609193793 /nfs/dbraw/zinc/19/37/93/609193793.db2.gz IBNRDBCVJXCREJ-LJQANCHMSA-N 2 2 385.516 1.141 20 0 GDADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361477 609338922 /nfs/dbraw/zinc/33/89/22/609338922.db2.gz YEGSBIYTZSXSKM-ZWKOTPCHSA-N 2 2 394.483 1.220 20 0 GDADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361477 609338923 /nfs/dbraw/zinc/33/89/23/609338923.db2.gz YEGSBIYTZSXSKM-ZWKOTPCHSA-N 2 2 394.483 1.220 20 0 GDADLP C[C@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000567462133 650905468 /nfs/dbraw/zinc/90/54/68/650905468.db2.gz GWDWWGALNONHJU-CYBMUJFWSA-N 2 2 392.301 1.916 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000104532938 644607631 /nfs/dbraw/zinc/60/76/31/644607631.db2.gz YTWKZNJLJNVWLK-UHFFFAOYSA-N 2 2 377.457 1.248 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000262059091 645121902 /nfs/dbraw/zinc/12/19/02/645121902.db2.gz QYIQWTXXVPSGTH-ZDUSSCGKSA-N 2 2 398.301 1.997 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000262059091 645121906 /nfs/dbraw/zinc/12/19/06/645121906.db2.gz QYIQWTXXVPSGTH-ZDUSSCGKSA-N 2 2 398.301 1.997 20 0 GDADLP CC(C)(C)[C@H](C[NH3+])[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000420363622 645942122 /nfs/dbraw/zinc/94/21/22/645942122.db2.gz ODZUNSPKXZUTHE-ZDUSSCGKSA-N 2 2 385.306 1.467 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)s1 ZINC000422931252 646100629 /nfs/dbraw/zinc/10/06/29/646100629.db2.gz BIPQMLMZKRFGJH-KGLIPLIRSA-N 2 2 375.560 1.635 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423098682 646113839 /nfs/dbraw/zinc/11/38/39/646113839.db2.gz DGHPJKNLSWZWJE-SMDDNHRTSA-N 2 2 380.432 1.966 20 0 GDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000424336876 646173817 /nfs/dbraw/zinc/17/38/17/646173817.db2.gz RJBZYHZWAWLVIZ-TZMCWYRMSA-N 2 2 383.290 1.363 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2cc3c(cc(F)cc3Br)[nH]2)CC1 ZINC000921609733 660313849 /nfs/dbraw/zinc/31/38/49/660313849.db2.gz QOTRMSCHGWPWJQ-UHFFFAOYSA-N 2 2 383.265 1.933 20 0 GDADLP Cc1cc(S(=O)(=O)NCC[NH2+]Cc2ncc(C[NH+](C)C)s2)c(C)s1 ZINC000512039862 648395601 /nfs/dbraw/zinc/39/56/01/648395601.db2.gz YWVLJFSZDNFZAT-UHFFFAOYSA-N 2 2 388.584 1.951 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c[nH+]c12 ZINC000573816565 651496949 /nfs/dbraw/zinc/49/69/49/651496949.db2.gz HCEOVWQXNXJFFR-TZMCWYRMSA-N 2 2 378.274 1.149 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]CC2=Cc3cc(Br)ccc3OC2)CC1 ZINC000588178756 652098023 /nfs/dbraw/zinc/09/80/23/652098023.db2.gz SKHUUVNUHDEDDJ-UHFFFAOYSA-N 2 2 380.286 1.589 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000623619614 653007616 /nfs/dbraw/zinc/00/76/16/653007616.db2.gz PJAIZLCMLNHWPB-HNNXBMFYSA-N 2 2 382.302 1.813 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Br)cc2c1OCC2 ZINC000623619614 653007620 /nfs/dbraw/zinc/00/76/20/653007620.db2.gz PJAIZLCMLNHWPB-HNNXBMFYSA-N 2 2 382.302 1.813 20 0 GDADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000629531758 653169176 /nfs/dbraw/zinc/16/91/76/653169176.db2.gz XFIIJJIWBIRNTQ-NVXWUHKLSA-N 2 2 393.329 1.682 20 0 GDADLP Cc1cc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000631852286 653260113 /nfs/dbraw/zinc/26/01/13/653260113.db2.gz JPHBVAQJWQDWOK-UHFFFAOYSA-N 2 2 381.527 1.337 20 0 GDADLP CN(CC[N@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000639170754 653547985 /nfs/dbraw/zinc/54/79/85/653547985.db2.gz XFSFRNVBEAVSOB-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP CN(CC[N@@H+](C)Cc1ccc(Cl)c(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000639170754 653547988 /nfs/dbraw/zinc/54/79/88/653547988.db2.gz XFSFRNVBEAVSOB-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000658294115 654183560 /nfs/dbraw/zinc/18/35/60/654183560.db2.gz GGSOSFYETPVAPW-XJKSGUPXSA-N 2 2 384.318 1.842 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000658333671 654185341 /nfs/dbraw/zinc/18/53/41/654185341.db2.gz QOLKGFFUWLEKMJ-ZDUSSCGKSA-N 2 2 399.333 1.776 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1cccc(Br)c1 ZINC000658333671 654185345 /nfs/dbraw/zinc/18/53/45/654185345.db2.gz QOLKGFFUWLEKMJ-ZDUSSCGKSA-N 2 2 399.333 1.776 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000682030505 654745930 /nfs/dbraw/zinc/74/59/30/654745930.db2.gz NXXVEADBDZKZQX-OAHLLOKOSA-N 2 2 396.329 1.982 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000682030505 654745932 /nfs/dbraw/zinc/74/59/32/654745932.db2.gz NXXVEADBDZKZQX-OAHLLOKOSA-N 2 2 396.329 1.982 20 0 GDADLP COC[C@]1(C)CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000830530104 654948364 /nfs/dbraw/zinc/94/83/64/654948364.db2.gz VROPUUWHHRHPTN-QZTJIDSGSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@]1(C)CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@@](C)(COC)C2)C1 ZINC000830530104 654948368 /nfs/dbraw/zinc/94/83/68/654948368.db2.gz VROPUUWHHRHPTN-QZTJIDSGSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@@]1(C)CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000830530105 654948465 /nfs/dbraw/zinc/94/84/65/654948465.db2.gz VROPUUWHHRHPTN-ROUUACIJSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@@]1(C)CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000830530105 654948467 /nfs/dbraw/zinc/94/84/67/654948467.db2.gz VROPUUWHHRHPTN-ROUUACIJSA-N 2 2 376.563 1.118 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000764639622 655220060 /nfs/dbraw/zinc/22/00/60/655220060.db2.gz QQGGKYCMHKJNCA-ZDUSSCGKSA-N 2 2 389.543 1.157 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000866714256 655956241 /nfs/dbraw/zinc/95/62/41/655956241.db2.gz JPGJVEVSASFXMV-GLQYFDAESA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000866714256 655956242 /nfs/dbraw/zinc/95/62/42/655956242.db2.gz JPGJVEVSASFXMV-GLQYFDAESA-N 2 2 384.249 1.955 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H]1C ZINC000923421549 656551702 /nfs/dbraw/zinc/55/17/02/656551702.db2.gz CSSQUNRABMSQDZ-FPCVCCKLSA-N 2 2 375.579 1.436 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H]1C ZINC000923421549 656551706 /nfs/dbraw/zinc/55/17/06/656551706.db2.gz CSSQUNRABMSQDZ-FPCVCCKLSA-N 2 2 375.579 1.436 20 0 GDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884334630 657347545 /nfs/dbraw/zinc/34/75/45/657347545.db2.gz XAUKICDVPKCLEW-HNNXBMFYSA-N 2 2 392.301 1.968 20 0 GDADLP C[NH+](CCCS(C)(=O)=O)[C@H]1CC[C@H]([N@H+](C)CCCS(C)(=O)=O)CC1 ZINC000886391868 657648202 /nfs/dbraw/zinc/64/82/02/657648202.db2.gz CGBGZWVFEXSHLV-WKILWMFISA-N 2 2 382.592 1.031 20 0 GDADLP C[NH+](CCCS(C)(=O)=O)[C@H]1CC[C@H]([N@@H+](C)CCCS(C)(=O)=O)CC1 ZINC000886391868 657648209 /nfs/dbraw/zinc/64/82/09/657648209.db2.gz CGBGZWVFEXSHLV-WKILWMFISA-N 2 2 382.592 1.031 20 0 GDADLP C[C@@]1(Br)C[C@H]1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892749920 658347402 /nfs/dbraw/zinc/34/74/02/658347402.db2.gz HGXCDNIJVXRNEV-WMLDXEAASA-N 2 2 381.318 1.883 20 0 GDADLP C[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2O)(N2CCOCC2)CC1 ZINC000894896961 658632408 /nfs/dbraw/zinc/63/24/08/658632408.db2.gz WDXKGBCCMAUTAZ-UHFFFAOYSA-N 2 2 399.333 1.436 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735551 659378475 /nfs/dbraw/zinc/37/84/75/659378475.db2.gz BMBRFPUDIGIVPT-CJNGLKHVSA-N 2 2 383.290 1.483 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735551 659378481 /nfs/dbraw/zinc/37/84/81/659378481.db2.gz BMBRFPUDIGIVPT-CJNGLKHVSA-N 2 2 383.290 1.483 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000903848641 659384484 /nfs/dbraw/zinc/38/44/84/659384484.db2.gz SHNCTKJXCVSKAT-AVGNSLFASA-N 2 2 395.301 1.315 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000903848641 659384488 /nfs/dbraw/zinc/38/44/88/659384488.db2.gz SHNCTKJXCVSKAT-AVGNSLFASA-N 2 2 395.301 1.315 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164898676 721482752 /nfs/dbraw/zinc/48/27/52/721482752.db2.gz WVAUPVIMEXXHFI-PGRDOPGGSA-N 2 2 399.539 1.203 20 0 GDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164946716 721970032 /nfs/dbraw/zinc/97/00/32/721970032.db2.gz VLRIYWYBLDWTIX-UHFFFAOYSA-N 2 2 391.519 1.698 20 0 GDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ccc3c(n1)CC[NH2+]C3)CC2 ZINC001164946716 721970033 /nfs/dbraw/zinc/97/00/33/721970033.db2.gz VLRIYWYBLDWTIX-UHFFFAOYSA-N 2 2 391.519 1.698 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282514 945844987 /nfs/dbraw/zinc/84/49/87/945844987.db2.gz JHXSOXFQWCGVCI-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282514 945845003 /nfs/dbraw/zinc/84/50/03/945845003.db2.gz JHXSOXFQWCGVCI-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282514 945845020 /nfs/dbraw/zinc/84/50/20/945845020.db2.gz JHXSOXFQWCGVCI-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001571282514 945845037 /nfs/dbraw/zinc/84/50/37/945845037.db2.gz JHXSOXFQWCGVCI-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP O=C(N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001571317246 946604848 /nfs/dbraw/zinc/60/48/48/946604848.db2.gz YVHPFUDKHXTWNX-IRXDYDNUSA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001571317246 946604856 /nfs/dbraw/zinc/60/48/56/946604856.db2.gz YVHPFUDKHXTWNX-IRXDYDNUSA-N 2 2 392.467 1.016 20 0 GDADLP CCc1nc(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)no1 ZINC000825746067 947317115 /nfs/dbraw/zinc/31/71/15/947317115.db2.gz RFMCPCQXWNEWSW-UHFFFAOYSA-N 2 2 382.472 1.609 20 0 GDADLP NC(=O)c1cccc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826394075 948203189 /nfs/dbraw/zinc/20/31/89/948203189.db2.gz WAOMOFUKJDBLHZ-UHFFFAOYSA-N 2 2 391.479 1.720 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000826514166 948439475 /nfs/dbraw/zinc/43/94/75/948439475.db2.gz JGWLENSPQUXAFV-IBGZPJMESA-N 2 2 386.500 1.616 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921367 948921162 /nfs/dbraw/zinc/92/11/62/948921162.db2.gz VRNQMOHATYWUIP-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921367 948921174 /nfs/dbraw/zinc/92/11/74/948921174.db2.gz VRNQMOHATYWUIP-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921498 948926124 /nfs/dbraw/zinc/92/61/24/948926124.db2.gz YWYLPRRMZHMVEV-LBPRGKRZSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921498 948926137 /nfs/dbraw/zinc/92/61/37/948926137.db2.gz YWYLPRRMZHMVEV-LBPRGKRZSA-N 2 2 388.501 1.231 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432936 948943832 /nfs/dbraw/zinc/94/38/32/948943832.db2.gz PWHYVJXOMSUQHN-UHFFFAOYSA-N 2 2 382.472 1.435 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574432936 948943841 /nfs/dbraw/zinc/94/38/41/948943841.db2.gz PWHYVJXOMSUQHN-UHFFFAOYSA-N 2 2 382.472 1.435 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923507 948952443 /nfs/dbraw/zinc/95/24/43/948952443.db2.gz ONIPHOISODZCTO-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923507 948952451 /nfs/dbraw/zinc/95/24/51/948952451.db2.gz ONIPHOISODZCTO-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001573812821 949621040 /nfs/dbraw/zinc/62/10/40/949621040.db2.gz UVSRYPLEAOAHAO-HNNXBMFYSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574725254 949896068 /nfs/dbraw/zinc/89/60/68/949896068.db2.gz QJHSCBFSOQTCII-LBPRGKRZSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574726221 949929873 /nfs/dbraw/zinc/92/98/73/949929873.db2.gz XUADOQLJOKQRQD-LBPRGKRZSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575285541 949948697 /nfs/dbraw/zinc/94/86/97/949948697.db2.gz OIZLQMWRYRLIHA-AWEZNQCLSA-N 2 2 380.456 1.090 20 0 GDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574490810 950020428 /nfs/dbraw/zinc/02/04/28/950020428.db2.gz ZOIJBELWFHRCJU-WBAXXEDZSA-N 2 2 392.467 1.500 20 0 GDADLP C[C@@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574490810 950020452 /nfs/dbraw/zinc/02/04/52/950020452.db2.gz ZOIJBELWFHRCJU-WBAXXEDZSA-N 2 2 392.467 1.500 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491179 950026549 /nfs/dbraw/zinc/02/65/49/950026549.db2.gz ANRPWNIVJLLMFF-HOCLYGCPSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491179 950026573 /nfs/dbraw/zinc/02/65/73/950026573.db2.gz ANRPWNIVJLLMFF-HOCLYGCPSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575910576 950420346 /nfs/dbraw/zinc/42/03/46/950420346.db2.gz LWMQJDWYGUNNCJ-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204971 950487453 /nfs/dbraw/zinc/48/74/53/950487453.db2.gz TTZJSKAKVVGSKU-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204971 950487457 /nfs/dbraw/zinc/48/74/57/950487457.db2.gz TTZJSKAKVVGSKU-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204971 950487458 /nfs/dbraw/zinc/48/74/58/950487458.db2.gz TTZJSKAKVVGSKU-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204971 950487461 /nfs/dbraw/zinc/48/74/61/950487461.db2.gz TTZJSKAKVVGSKU-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574521445 950778601 /nfs/dbraw/zinc/77/86/01/950778601.db2.gz GGELCSURKIJTMR-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574522812 950799776 /nfs/dbraw/zinc/79/97/76/950799776.db2.gz LCXYSUIBANLAMK-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574524465 950862787 /nfs/dbraw/zinc/86/27/87/950862787.db2.gz WTCVIMXBAXXTQO-KGLIPLIRSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001574524725 950870934 /nfs/dbraw/zinc/87/09/34/950870934.db2.gz YVJYMHYAQKPETG-GJZGRUSLSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575101069 951853961 /nfs/dbraw/zinc/85/39/61/951853961.db2.gz YWLZBLYYDWURDE-GFCCVEGCSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575106971 951910122 /nfs/dbraw/zinc/91/01/22/951910122.db2.gz WPJVEAPMWYFGLB-AWEZNQCLSA-N 2 2 382.472 1.075 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120083 952498282 /nfs/dbraw/zinc/49/82/82/952498282.db2.gz HUNLDMWPEUALFO-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120083 952498286 /nfs/dbraw/zinc/49/82/86/952498286.db2.gz HUNLDMWPEUALFO-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120083 952498290 /nfs/dbraw/zinc/49/82/90/952498290.db2.gz HUNLDMWPEUALFO-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120083 952498294 /nfs/dbraw/zinc/49/82/94/952498294.db2.gz HUNLDMWPEUALFO-JSGCOSHPSA-N 2 2 375.502 1.103 20 0 GDADLP C[C@@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)c1cncs1 ZINC000127778378 531033645 /nfs/dbraw/zinc/03/36/45/531033645.db2.gz ZEIOKMZBGQRFKR-CQSZACIVSA-N 2 2 380.539 1.930 20 0 GDADLP C[N@H+](CCn1cc(Br)cn1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290190872 531214361 /nfs/dbraw/zinc/21/43/61/531214361.db2.gz OPHYFZVXHVAJOS-UHFFFAOYSA-N 2 2 394.321 1.319 20 0 GDADLP C[N@@H+](CCn1cc(Br)cn1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000290190872 531214366 /nfs/dbraw/zinc/21/43/66/531214366.db2.gz OPHYFZVXHVAJOS-UHFFFAOYSA-N 2 2 394.321 1.319 20 0 GDADLP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2[nH+]ccn2CC(F)(F)F)cc1 ZINC000433889838 531236926 /nfs/dbraw/zinc/23/69/26/531236926.db2.gz ZXGNUYFRKBVAAE-UHFFFAOYSA-N 2 2 376.404 1.986 20 0 GDADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000435391590 531262121 /nfs/dbraw/zinc/26/21/21/531262121.db2.gz XAZXRSOUCZEBQG-AWEZNQCLSA-N 2 2 387.933 1.421 20 0 GDADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000435391590 531262125 /nfs/dbraw/zinc/26/21/25/531262125.db2.gz XAZXRSOUCZEBQG-AWEZNQCLSA-N 2 2 387.933 1.421 20 0 GDADLP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854338 531378615 /nfs/dbraw/zinc/37/86/15/531378615.db2.gz AFKQKMGSKYGQTG-NHYWBVRUSA-N 2 2 375.897 1.830 20 0 GDADLP C[C@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854338 531378620 /nfs/dbraw/zinc/37/86/20/531378620.db2.gz AFKQKMGSKYGQTG-NHYWBVRUSA-N 2 2 375.897 1.830 20 0 GDADLP COc1cc(Br)ccc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486023647 531444576 /nfs/dbraw/zinc/44/45/76/531444576.db2.gz RPQQHYHVAPFQRS-HNNXBMFYSA-N 2 2 382.302 1.854 20 0 GDADLP COc1cc(Br)ccc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486023647 531444581 /nfs/dbraw/zinc/44/45/81/531444581.db2.gz RPQQHYHVAPFQRS-HNNXBMFYSA-N 2 2 382.302 1.854 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCNC(=O)c2cccc(Br)c2)n1C ZINC000414399869 531449020 /nfs/dbraw/zinc/44/90/20/531449020.db2.gz YCTWAAYCVJQANW-UHFFFAOYSA-N 2 2 380.290 1.768 20 0 GDADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+](C)C1 ZINC000414479960 531458376 /nfs/dbraw/zinc/45/83/76/531458376.db2.gz AFVMQQGEALWAPA-GFCCVEGCSA-N 2 2 381.274 1.633 20 0 GDADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+](C)C1 ZINC000414479960 531458378 /nfs/dbraw/zinc/45/83/78/531458378.db2.gz AFVMQQGEALWAPA-GFCCVEGCSA-N 2 2 381.274 1.633 20 0 GDADLP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489935663 531514201 /nfs/dbraw/zinc/51/42/01/531514201.db2.gz QCZZUEHVGZZMLR-ZDUSSCGKSA-N 2 2 397.317 1.707 20 0 GDADLP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489935663 531514210 /nfs/dbraw/zinc/51/42/10/531514210.db2.gz QCZZUEHVGZZMLR-ZDUSSCGKSA-N 2 2 397.317 1.707 20 0 GDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000415576564 531497456 /nfs/dbraw/zinc/49/74/56/531497456.db2.gz YHRHRQUKWQFFKW-NEPJUHHUSA-N 2 2 397.317 1.658 20 0 GDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000657884201 531497553 /nfs/dbraw/zinc/49/75/53/531497553.db2.gz MXKGLVQCHQFCJZ-YOEHRIQHSA-N 2 2 383.334 1.901 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000658427110 531508534 /nfs/dbraw/zinc/50/85/34/531508534.db2.gz MGTBGXQEEJYXOA-UHFFFAOYSA-N 2 2 385.306 1.387 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Br)cc1 ZINC000658427110 531508539 /nfs/dbraw/zinc/50/85/39/531508539.db2.gz MGTBGXQEEJYXOA-UHFFFAOYSA-N 2 2 385.306 1.387 20 0 GDADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@@H](O)Cn3cccn3)[nH+]c12 ZINC000582177366 531540337 /nfs/dbraw/zinc/54/03/37/531540337.db2.gz RAWFWVVBDQNRTA-OAHLLOKOSA-N 2 2 378.274 1.795 20 0 GDADLP CN(CC(C)(C)[NH3+])C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000659016623 531536580 /nfs/dbraw/zinc/53/65/80/531536580.db2.gz JAHKZQIJPOUYMN-UHFFFAOYSA-N 2 2 386.294 1.882 20 0 GDADLP CC1(C)C[N@H+](CCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CCO1 ZINC000662434720 531678326 /nfs/dbraw/zinc/67/83/26/531678326.db2.gz WFNUUTFACRDSGH-UHFFFAOYSA-N 2 2 388.331 1.954 20 0 GDADLP CC1(C)C[N@@H+](CCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CCO1 ZINC000662434720 531678329 /nfs/dbraw/zinc/67/83/29/531678329.db2.gz WFNUUTFACRDSGH-UHFFFAOYSA-N 2 2 388.331 1.954 20 0 GDADLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178565 531685875 /nfs/dbraw/zinc/68/58/75/531685875.db2.gz MKQAGEOFLJAJQM-RISCZKNCSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178565 531685885 /nfs/dbraw/zinc/68/58/85/531685885.db2.gz MKQAGEOFLJAJQM-RISCZKNCSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178565 531685891 /nfs/dbraw/zinc/68/58/91/531685891.db2.gz MKQAGEOFLJAJQM-RISCZKNCSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178565 531685899 /nfs/dbraw/zinc/68/58/99/531685899.db2.gz MKQAGEOFLJAJQM-RISCZKNCSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[C@H](C)CO1 ZINC000662634298 531692643 /nfs/dbraw/zinc/69/26/43/531692643.db2.gz QWDXYPOULVYWPC-XNJGSVPQSA-N 2 2 384.318 1.848 20 0 GDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[C@H](C)CO1 ZINC000662634298 531692646 /nfs/dbraw/zinc/69/26/46/531692646.db2.gz QWDXYPOULVYWPC-XNJGSVPQSA-N 2 2 384.318 1.848 20 0 GDADLP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1(C)C ZINC000623355202 531811041 /nfs/dbraw/zinc/81/10/41/531811041.db2.gz CYDHOIRYDBWEKI-CQSZACIVSA-N 2 2 387.571 1.731 20 0 GDADLP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1(C)C ZINC000623355202 531811057 /nfs/dbraw/zinc/81/10/57/531811057.db2.gz CYDHOIRYDBWEKI-CQSZACIVSA-N 2 2 387.571 1.731 20 0 GDADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623938616 531827918 /nfs/dbraw/zinc/82/79/18/531827918.db2.gz WMYPNLRVBMJNDA-CYBMUJFWSA-N 2 2 392.305 1.733 20 0 GDADLP Brc1cnccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787228 531852547 /nfs/dbraw/zinc/85/25/47/531852547.db2.gz SABRLGYKBBBCAY-INIZCTEOSA-N 2 2 383.334 1.730 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563595094 531855723 /nfs/dbraw/zinc/85/57/23/531855723.db2.gz QHGAEINANOUYTL-KGLIPLIRSA-N 2 2 386.327 1.856 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563595094 531855728 /nfs/dbraw/zinc/85/57/28/531855728.db2.gz QHGAEINANOUYTL-KGLIPLIRSA-N 2 2 386.327 1.856 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCCn3cc(Br)cn3)C2)CC1 ZINC000368619480 531924811 /nfs/dbraw/zinc/92/48/11/531924811.db2.gz PHDYYPQLLTVCOZ-AWEZNQCLSA-N 2 2 399.337 1.113 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCCn3cc(Br)cn3)C2)CC1 ZINC000368619480 531924816 /nfs/dbraw/zinc/92/48/16/531924816.db2.gz PHDYYPQLLTVCOZ-AWEZNQCLSA-N 2 2 399.337 1.113 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(Cl)c1 ZINC000655701444 531975554 /nfs/dbraw/zinc/97/55/54/531975554.db2.gz FHQOMFLNRVSEOT-MRXNPFEDSA-N 2 2 387.933 1.461 20 0 GDADLP C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000420019109 531997400 /nfs/dbraw/zinc/99/74/00/531997400.db2.gz QTKNADUDZWEVAH-LBPRGKRZSA-N 2 2 387.311 1.144 20 0 GDADLP C[NH+]1CCC(CNC(=O)Cn2cc(Br)cn2)([NH+]2CCCCC2)CC1 ZINC000460486215 532045101 /nfs/dbraw/zinc/04/51/01/532045101.db2.gz GNYKTMLGAUSNDI-UHFFFAOYSA-N 2 2 398.349 1.712 20 0 GDADLP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000423108184 532072878 /nfs/dbraw/zinc/07/28/78/532072878.db2.gz FOSRKLFQNUXOOO-HOCLYGCPSA-N 2 2 391.896 1.114 20 0 GDADLP COc1cc2[nH+]ccc(NCCC[N@@H+]3CCNC(=O)C3)c2cc1Br ZINC000425243434 532132309 /nfs/dbraw/zinc/13/23/09/532132309.db2.gz FMQQQASUWVZKAD-UHFFFAOYSA-N 2 2 393.285 1.662 20 0 GDADLP COc1cc2[nH+]ccc(NCCC[N@H+]3CCNC(=O)C3)c2cc1Br ZINC000425243434 532132312 /nfs/dbraw/zinc/13/23/12/532132312.db2.gz FMQQQASUWVZKAD-UHFFFAOYSA-N 2 2 393.285 1.662 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[nH+]c12 ZINC000274214203 532195278 /nfs/dbraw/zinc/19/52/78/532195278.db2.gz NTWFNQSKJFLHPG-MRXNPFEDSA-N 2 2 398.305 1.517 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)[C@H](C)C[NH+]3CCOCC3)[nH+]c12 ZINC000274146752 532189335 /nfs/dbraw/zinc/18/93/35/532189335.db2.gz FHGHTFHWLNMTND-CYBMUJFWSA-N 2 2 395.301 1.990 20 0 GDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430571847 532251585 /nfs/dbraw/zinc/25/15/85/532251585.db2.gz MZZVGWGWIBQFFV-CQSZACIVSA-N 2 2 399.333 1.809 20 0 GDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430571847 532251589 /nfs/dbraw/zinc/25/15/89/532251589.db2.gz MZZVGWGWIBQFFV-CQSZACIVSA-N 2 2 399.333 1.809 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+](C)CC(C)(C)C[NH3+])ccc1Cl ZINC000430588955 532252063 /nfs/dbraw/zinc/25/20/63/532252063.db2.gz BLUBBIMPFXUXKR-UHFFFAOYSA-N 2 2 390.937 1.446 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+](C)CC(C)(C)C[NH3+])ccc1Cl ZINC000430588955 532252071 /nfs/dbraw/zinc/25/20/71/532252071.db2.gz BLUBBIMPFXUXKR-UHFFFAOYSA-N 2 2 390.937 1.446 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000430939713 532258671 /nfs/dbraw/zinc/25/86/71/532258671.db2.gz MCTNKGCRRVIGHF-DGCLKSJQSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000430939713 532258677 /nfs/dbraw/zinc/25/86/77/532258677.db2.gz MCTNKGCRRVIGHF-DGCLKSJQSA-N 2 2 383.290 1.173 20 0 GDADLP Cn1cc(CC[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cn1 ZINC000737603334 598985545 /nfs/dbraw/zinc/98/55/45/598985545.db2.gz YMFHMJMDMYBJEG-UHFFFAOYSA-N 2 2 389.467 1.513 20 0 GDADLP CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853292 599010307 /nfs/dbraw/zinc/01/03/07/599010307.db2.gz VEAHOCJSMCOEJY-KRWDZBQOSA-N 2 2 384.488 1.499 20 0 GDADLP CN(C(=O)Nc1cccc(-c2nn[nH]n2)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853292 599010309 /nfs/dbraw/zinc/01/03/09/599010309.db2.gz VEAHOCJSMCOEJY-KRWDZBQOSA-N 2 2 384.488 1.499 20 0 GDADLP COc1cc[nH+]c(N2CC[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC2)c1 ZINC000737158296 598250769 /nfs/dbraw/zinc/25/07/69/598250769.db2.gz DUQCHWIMOXKCQT-UHFFFAOYSA-N 2 2 381.440 1.471 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500056 598355318 /nfs/dbraw/zinc/35/53/18/598355318.db2.gz NJXWIFNMCIXPQF-DLBZAZTESA-N 2 2 383.456 1.448 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500056 598355320 /nfs/dbraw/zinc/35/53/20/598355320.db2.gz NJXWIFNMCIXPQF-DLBZAZTESA-N 2 2 383.456 1.448 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+]C[C@H]1CNc3c(-c4nn[nH]n4)cnn3C1)C2 ZINC000735652971 598527597 /nfs/dbraw/zinc/52/75/97/598527597.db2.gz ZRMLWSIZZDFSER-STQMWFEESA-N 2 2 396.503 1.204 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853689 598769660 /nfs/dbraw/zinc/76/96/60/598769660.db2.gz ZMCMKCBOOOOEFZ-WLMCBFPDSA-N 2 2 381.484 1.165 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853689 598769661 /nfs/dbraw/zinc/76/96/61/598769661.db2.gz ZMCMKCBOOOOEFZ-WLMCBFPDSA-N 2 2 381.484 1.165 20 0 GDADLP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)nc[nH+]1 ZINC000821637544 599430717 /nfs/dbraw/zinc/43/07/17/599430717.db2.gz KLQOTPIYFSNLLM-AWEZNQCLSA-N 2 2 395.471 1.466 20 0 GDADLP CC(C)(C)[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819898998 599536067 /nfs/dbraw/zinc/53/60/67/599536067.db2.gz LYTMDSZIHVGJTP-QGZVFWFLSA-N 2 2 381.484 1.944 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000822332840 606227473 /nfs/dbraw/zinc/22/74/73/606227473.db2.gz UMKAAXOIWJMXJU-WMLDXEAASA-N 2 2 379.468 1.880 20 0 GDADLP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1sccc1-c1nn[nH]n1 ZINC000823514197 606310159 /nfs/dbraw/zinc/31/01/59/606310159.db2.gz XMNHSKPUDZLMPC-WCQYABFASA-N 2 2 384.469 1.397 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826331211 608453753 /nfs/dbraw/zinc/45/37/53/608453753.db2.gz ZBDPJLNILKGXFS-UHFFFAOYSA-N 2 2 388.863 1.986 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1 ZINC000826331211 608453755 /nfs/dbraw/zinc/45/37/55/608453755.db2.gz ZBDPJLNILKGXFS-UHFFFAOYSA-N 2 2 388.863 1.986 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826389657 608453941 /nfs/dbraw/zinc/45/39/41/608453941.db2.gz DQJKQDMCVQXWEH-SFHVURJKSA-N 2 2 399.499 1.050 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826389657 608453942 /nfs/dbraw/zinc/45/39/42/608453942.db2.gz DQJKQDMCVQXWEH-SFHVURJKSA-N 2 2 399.499 1.050 20 0 GDADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476143 609169572 /nfs/dbraw/zinc/16/95/72/609169572.db2.gz BNESFLOQMJZDSA-CGTJXYLNSA-N 2 2 381.484 1.579 20 0 GDADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476143 609169573 /nfs/dbraw/zinc/16/95/73/609169573.db2.gz BNESFLOQMJZDSA-CGTJXYLNSA-N 2 2 381.484 1.579 20 0 GDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585295 609333718 /nfs/dbraw/zinc/33/37/18/609333718.db2.gz PFZDSTLLXPGWNI-JSGCOSHPSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585295 609333721 /nfs/dbraw/zinc/33/37/21/609333721.db2.gz PFZDSTLLXPGWNI-JSGCOSHPSA-N 2 2 375.452 1.244 20 0 GDADLP CC[N@H+](CCOc1ccc(Br)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000536756324 650280447 /nfs/dbraw/zinc/28/04/47/650280447.db2.gz MAJMGQYLVJIBNL-UHFFFAOYSA-N 2 2 384.318 1.924 20 0 GDADLP CC[N@@H+](CCOc1ccc(Br)cc1)CC(=O)N1CC[NH+](C)CC1 ZINC000536756324 650280451 /nfs/dbraw/zinc/28/04/51/650280451.db2.gz MAJMGQYLVJIBNL-UHFFFAOYSA-N 2 2 384.318 1.924 20 0 GDADLP O=S(=O)(CC[NH2+]Cc1cc(-n2cc[nH+]c2)cs1)NC[C@H]1CCCCO1 ZINC000543171950 650420270 /nfs/dbraw/zinc/42/02/70/650420270.db2.gz MLBNIDDTVJNPFR-OAHLLOKOSA-N 2 2 384.527 1.512 20 0 GDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000566797174 650867315 /nfs/dbraw/zinc/86/73/15/650867315.db2.gz HGRYHVIQMPQFDU-HOTGVXAUSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1cccc(Br)c1 ZINC000566797174 650867318 /nfs/dbraw/zinc/86/73/18/650867318.db2.gz HGRYHVIQMPQFDU-HOTGVXAUSA-N 2 2 387.318 1.625 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755601 645254062 /nfs/dbraw/zinc/25/40/62/645254062.db2.gz IVKZSDHFWFHIAE-ZMSDIMECSA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755601 645254068 /nfs/dbraw/zinc/25/40/68/645254068.db2.gz IVKZSDHFWFHIAE-ZMSDIMECSA-N 2 2 385.302 1.642 20 0 GDADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1ccsc1 ZINC000480913803 647860501 /nfs/dbraw/zinc/86/05/01/647860501.db2.gz VRXTUIYQOVJOIN-HNNXBMFYSA-N 2 2 380.539 1.946 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(F)cc1F)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631812651 653256164 /nfs/dbraw/zinc/25/61/64/653256164.db2.gz CJGJAAZPPOJXLQ-UHFFFAOYSA-N 2 2 375.485 1.752 20 0 GDADLP Cc1cc(Br)cn2c(CN(CC[NH+](C)C)CC(=O)N(C)C)c[nH+]c12 ZINC000668558515 654484988 /nfs/dbraw/zinc/48/49/88/654484988.db2.gz LVARBJAQLQLYIC-UHFFFAOYSA-N 2 2 396.333 1.857 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000801155010 654910675 /nfs/dbraw/zinc/91/06/75/654910675.db2.gz NWXXTTMXVQEVOS-CQSZACIVSA-N 2 2 398.349 1.732 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000801155010 654910678 /nfs/dbraw/zinc/91/06/78/654910678.db2.gz NWXXTTMXVQEVOS-CQSZACIVSA-N 2 2 398.349 1.732 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cnn(C)c3Br)CC2)CC1 ZINC000817656751 655356147 /nfs/dbraw/zinc/35/61/47/655356147.db2.gz NVZKYIUNXRQWQS-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cnn(C)c3Br)CC2)CC1 ZINC000817656751 655356150 /nfs/dbraw/zinc/35/61/50/655356150.db2.gz NVZKYIUNXRQWQS-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076477 655384785 /nfs/dbraw/zinc/38/47/85/655384785.db2.gz CWEPDTPDFVXECJ-MSOLQXFVSA-N 2 2 398.345 1.479 20 0 GDADLP Cn1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(Br)n1 ZINC000858099861 655744469 /nfs/dbraw/zinc/74/44/69/655744469.db2.gz ZUXHMCZANKUGGC-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1S(=O)(=O)C(F)F ZINC000863542195 655875195 /nfs/dbraw/zinc/87/51/95/655875195.db2.gz TUOXIOCZNPEKLK-LLVKDONJSA-N 2 2 378.441 1.850 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870866359 656251142 /nfs/dbraw/zinc/25/11/42/656251142.db2.gz ZMIYAIDIPNELKA-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000872257062 656321784 /nfs/dbraw/zinc/32/17/84/656321784.db2.gz KBMYYVQQGLPBOH-BZPMIXESSA-N 2 2 382.258 1.522 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000872257062 656321787 /nfs/dbraw/zinc/32/17/87/656321787.db2.gz KBMYYVQQGLPBOH-BZPMIXESSA-N 2 2 382.258 1.522 20 0 GDADLP O=S(=O)(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)C1C[NH2+]C1 ZINC000923627852 656578397 /nfs/dbraw/zinc/57/83/97/656578397.db2.gz JTKAKLWDDUMKRO-UHFFFAOYSA-N 2 2 388.331 1.305 20 0 GDADLP CCO[P@](C)(=O)CC[C@@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152602 656656794 /nfs/dbraw/zinc/65/67/94/656656794.db2.gz OQAXVTGVHJHDRV-RKPUJPDHSA-N 2 2 375.450 1.232 20 0 GDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000925080046 656693869 /nfs/dbraw/zinc/69/38/69/656693869.db2.gz KDGPZPJZKRAUNH-GJZGRUSLSA-N 2 2 383.334 1.901 20 0 GDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316223 657344825 /nfs/dbraw/zinc/34/48/25/657344825.db2.gz MPEKAPARXZKWOH-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(Br)nn3C)cn2)CC1 ZINC000894183770 658518095 /nfs/dbraw/zinc/51/80/95/658518095.db2.gz KSSMPJPIAZGYPU-UHFFFAOYSA-N 2 2 394.321 1.404 20 0 GDADLP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894287888 658532951 /nfs/dbraw/zinc/53/29/51/658532951.db2.gz LPAZSRQBHVQLIA-ZDUSSCGKSA-N 2 2 376.425 1.737 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)[nH+]2)CC1 ZINC001165019206 721791261 /nfs/dbraw/zinc/79/12/61/721791261.db2.gz JVPYIOVNCSCMJA-FUHWJXTLSA-N 2 2 378.480 1.328 20 0 GDADLP Cc1cc2c(nc[nH+]c2N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)[nH]1 ZINC001164996434 722231804 /nfs/dbraw/zinc/23/18/04/722231804.db2.gz HDXKPLBSJVRYBH-UHFFFAOYSA-N 2 2 378.484 1.413 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271759 945649824 /nfs/dbraw/zinc/64/98/24/945649824.db2.gz IWSNKWAYHCBPRD-ZDUSSCGKSA-N 2 2 386.485 1.365 20 0 GDADLP C[C@@H]1C[C@H]1N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824899464 946980994 /nfs/dbraw/zinc/98/09/94/946980994.db2.gz KCDRVSJZKLGVSD-MDASCCDHSA-N 2 2 395.511 1.430 20 0 GDADLP COC1CC[NH+](CCNC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826147497 947475074 /nfs/dbraw/zinc/47/50/74/947475074.db2.gz ZFHVNFGPBVVFNA-UHFFFAOYSA-N 2 2 399.543 1.532 20 0 GDADLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1-c1nn[nH]n1 ZINC000826195491 947594013 /nfs/dbraw/zinc/59/40/13/947594013.db2.gz WEWSZLHRJBABAZ-JWTNVVGKSA-N 2 2 397.527 1.618 20 0 GDADLP COc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1-c1nn[nH]n1 ZINC000826195491 947594021 /nfs/dbraw/zinc/59/40/21/947594021.db2.gz WEWSZLHRJBABAZ-JWTNVVGKSA-N 2 2 397.527 1.618 20 0 GDADLP O=C1[C@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476420 948382414 /nfs/dbraw/zinc/38/24/14/948382414.db2.gz HJSKMMVJTSJZOS-ZWKOTPCHSA-N 2 2 392.467 1.896 20 0 GDADLP O=C1[C@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476420 948382421 /nfs/dbraw/zinc/38/24/21/948382421.db2.gz HJSKMMVJTSJZOS-ZWKOTPCHSA-N 2 2 392.467 1.896 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCN2CCSCC2)CC1 ZINC000826514420 948440567 /nfs/dbraw/zinc/44/05/67/948440567.db2.gz QSZCWOHMCZRGQK-UHFFFAOYSA-N 2 2 387.557 1.470 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918129 948837572 /nfs/dbraw/zinc/83/75/72/948837572.db2.gz GBUWIANBSQXREY-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574918129 948837589 /nfs/dbraw/zinc/83/75/89/948837589.db2.gz GBUWIANBSQXREY-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920479 948901414 /nfs/dbraw/zinc/90/14/14/948901414.db2.gz MCWQBKQGOYGSAT-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574920479 948901426 /nfs/dbraw/zinc/90/14/26/948901426.db2.gz MCWQBKQGOYGSAT-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923508 948951719 /nfs/dbraw/zinc/95/17/19/948951719.db2.gz ONIPHOISODZCTO-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(F)c(-c2nn[nH]n2)c1 ZINC001574923508 948951736 /nfs/dbraw/zinc/95/17/36/948951736.db2.gz ONIPHOISODZCTO-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263444 949398150 /nfs/dbraw/zinc/39/81/50/949398150.db2.gz HCLAVNZABWCKJZ-PXAZEXFGSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263444 949398174 /nfs/dbraw/zinc/39/81/74/949398174.db2.gz HCLAVNZABWCKJZ-PXAZEXFGSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574716128 949685380 /nfs/dbraw/zinc/68/53/80/949685380.db2.gz MWPQAVXFTITYHW-HUUCEWRRSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@H](CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574716129 949686060 /nfs/dbraw/zinc/68/60/60/949686060.db2.gz MWPQAVXFTITYHW-LSDHHAIUSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574725578 949900536 /nfs/dbraw/zinc/90/05/36/949900536.db2.gz SSNALZSABXHIAE-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP CC(C)C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574153059 950126225 /nfs/dbraw/zinc/12/62/25/950126225.db2.gz MDZMZKBDVLJUFW-MRXNPFEDSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574493577 950137480 /nfs/dbraw/zinc/13/74/80/950137480.db2.gz UDOVRUHNXXWNTN-ZDUSSCGKSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)CCn1cc[nH+]c1 ZINC001574524373 950854973 /nfs/dbraw/zinc/85/49/73/950854973.db2.gz VZDLUJLRNVTDDY-STQMWFEESA-N 2 2 388.501 1.588 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574524497 950863178 /nfs/dbraw/zinc/86/31/78/950863178.db2.gz XKGJURKMUSVXKU-NWDGAFQWSA-N 2 2 388.501 1.277 20 0 GDADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575108354 951924641 /nfs/dbraw/zinc/92/46/41/951924641.db2.gz LPERSXANGNGXLR-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121001 952513020 /nfs/dbraw/zinc/51/30/20/952513020.db2.gz UKEROCIGKMGSFQ-ZDUSSCGKSA-N 2 2 375.502 1.105 20 0 GDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121001 952513024 /nfs/dbraw/zinc/51/30/24/952513024.db2.gz UKEROCIGKMGSFQ-ZDUSSCGKSA-N 2 2 375.502 1.105 20 0 GDADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167188 952771911 /nfs/dbraw/zinc/77/19/11/952771911.db2.gz XRPJKNSSCYCGKS-XJKSGUPXSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@H]1C[C@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167188 952771913 /nfs/dbraw/zinc/77/19/13/952771913.db2.gz XRPJKNSSCYCGKS-XJKSGUPXSA-N 2 2 380.456 1.302 20 0 GDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171771 952797024 /nfs/dbraw/zinc/79/70/24/952797024.db2.gz GHBYWRLPSCWMAG-NVXWUHKLSA-N 2 2 380.456 1.207 20 0 GDADLP Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Br ZINC000179424107 530740631 /nfs/dbraw/zinc/74/06/31/530740631.db2.gz CNOHXOKWQRZWON-MRXNPFEDSA-N 2 2 396.329 1.780 20 0 GDADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237755811 531049692 /nfs/dbraw/zinc/04/96/92/531049692.db2.gz CVOPHCLSUUYWCJ-MRXNPFEDSA-N 2 2 383.945 1.958 20 0 GDADLP O=C(C[C@@H]1CSCC[NH2+]1)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000237924629 531052345 /nfs/dbraw/zinc/05/23/45/531052345.db2.gz NIPCGFPWCQWSFD-OAHLLOKOSA-N 2 2 383.945 1.958 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000261971057 531104083 /nfs/dbraw/zinc/10/40/83/531104083.db2.gz IGRABWRLKBXTQJ-CQSZACIVSA-N 2 2 394.317 1.916 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249603554 531088053 /nfs/dbraw/zinc/08/80/53/531088053.db2.gz QXWCENHCFBXLJH-NJAFHUGGSA-N 2 2 375.579 1.620 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249603554 531088058 /nfs/dbraw/zinc/08/80/58/531088058.db2.gz QXWCENHCFBXLJH-NJAFHUGGSA-N 2 2 375.579 1.620 20 0 GDADLP O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261928375 531103106 /nfs/dbraw/zinc/10/31/06/531103106.db2.gz LFNIDIARMIFCTB-OAHLLOKOSA-N 2 2 396.329 1.972 20 0 GDADLP O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000135566176 531110245 /nfs/dbraw/zinc/11/02/45/531110245.db2.gz CADCODOBOAIGMW-IRXDYDNUSA-N 2 2 381.567 1.599 20 0 GDADLP O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000135566176 531110247 /nfs/dbraw/zinc/11/02/47/531110247.db2.gz CADCODOBOAIGMW-IRXDYDNUSA-N 2 2 381.567 1.599 20 0 GDADLP Cc1sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1CS(C)(=O)=O ZINC000155463671 531200703 /nfs/dbraw/zinc/20/07/03/531200703.db2.gz IKSHXHBDXZNRCH-UHFFFAOYSA-N 2 2 375.560 1.167 20 0 GDADLP C[N@H+]([C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](CCO)CC1 ZINC000432954697 531213156 /nfs/dbraw/zinc/21/31/56/531213156.db2.gz JATNANLWFSRKEU-KRWDZBQOSA-N 2 2 396.329 1.943 20 0 GDADLP C[N@@H+]([C@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](CCO)CC1 ZINC000432954697 531213159 /nfs/dbraw/zinc/21/31/59/531213159.db2.gz JATNANLWFSRKEU-KRWDZBQOSA-N 2 2 396.329 1.943 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](CO)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000483254718 531409682 /nfs/dbraw/zinc/40/96/82/531409682.db2.gz HQWGXCZTYYJMLQ-AWEZNQCLSA-N 2 2 379.810 1.756 20 0 GDADLP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415341397 531476519 /nfs/dbraw/zinc/47/65/19/531476519.db2.gz OZIZYSRKSQYXSM-LLVKDONJSA-N 2 2 383.290 1.270 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1Br ZINC000415820544 531536192 /nfs/dbraw/zinc/53/61/92/531536192.db2.gz BTKLVXIQWIEHOT-UHFFFAOYSA-N 2 2 397.317 1.660 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662155845 531668764 /nfs/dbraw/zinc/66/87/64/531668764.db2.gz HDNILFLOWGWDPW-DLBZAZTESA-N 2 2 399.329 1.720 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662155845 531668774 /nfs/dbraw/zinc/66/87/74/531668774.db2.gz HDNILFLOWGWDPW-DLBZAZTESA-N 2 2 399.329 1.720 20 0 GDADLP C[NH+](C)[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H]1O ZINC000560635253 531658027 /nfs/dbraw/zinc/65/80/27/531658027.db2.gz MUACOKKBNOKSTQ-YESZJQIVSA-N 2 2 396.329 1.719 20 0 GDADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000562311617 531745998 /nfs/dbraw/zinc/74/59/98/531745998.db2.gz UODSGPUGZICOLR-ZFWWWQNUSA-N 2 2 397.317 1.428 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000667040359 531770389 /nfs/dbraw/zinc/77/03/89/531770389.db2.gz BPHIQHGPPZXDMT-AWEZNQCLSA-N 2 2 390.289 1.984 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cnc4ccc(Br)cn34)C2)nn1 ZINC000667040359 531770393 /nfs/dbraw/zinc/77/03/93/531770393.db2.gz BPHIQHGPPZXDMT-AWEZNQCLSA-N 2 2 390.289 1.984 20 0 GDADLP [NH3+]Cc1cn([C@H]2CCCN(Cc3c[nH+]c4ccc(Br)cn34)C2)nn1 ZINC000667040359 531770398 /nfs/dbraw/zinc/77/03/98/531770398.db2.gz BPHIQHGPPZXDMT-AWEZNQCLSA-N 2 2 390.289 1.984 20 0 GDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000563534890 531849926 /nfs/dbraw/zinc/84/99/26/531849926.db2.gz UXJLYWZJPPITPA-OLZOCXBDSA-N 2 2 385.295 1.448 20 0 GDADLP Cc1nn(C)c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1Br ZINC000367667767 531852999 /nfs/dbraw/zinc/85/29/99/531852999.db2.gz DJERNLSPODFOOD-UHFFFAOYSA-N 2 2 384.366 1.950 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563595093 531856467 /nfs/dbraw/zinc/85/64/67/531856467.db2.gz QHGAEINANOUYTL-KBPBESRZSA-N 2 2 386.327 1.856 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Cl)cc3Cl)C2)[C@@H](C[NH3+])C1 ZINC000563595093 531856472 /nfs/dbraw/zinc/85/64/72/531856472.db2.gz QHGAEINANOUYTL-KBPBESRZSA-N 2 2 386.327 1.856 20 0 GDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000566096505 531879743 /nfs/dbraw/zinc/87/97/43/531879743.db2.gz VFSDGGRTULIYDQ-JKSUJKDBSA-N 2 2 392.301 1.938 20 0 GDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Br)cc3)C[C@H]2[NH3+])cn1 ZINC000566096505 531879749 /nfs/dbraw/zinc/87/97/49/531879749.db2.gz VFSDGGRTULIYDQ-JKSUJKDBSA-N 2 2 392.301 1.938 20 0 GDADLP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782811 531912728 /nfs/dbraw/zinc/91/27/28/531912728.db2.gz YSDAIRNTTWNWBG-ZDUSSCGKSA-N 2 2 397.317 1.530 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000647909626 531903222 /nfs/dbraw/zinc/90/32/22/531903222.db2.gz OYNJIJUPTSNXSP-HNNXBMFYSA-N 2 2 382.302 1.724 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000647909626 531903229 /nfs/dbraw/zinc/90/32/29/531903229.db2.gz OYNJIJUPTSNXSP-HNNXBMFYSA-N 2 2 382.302 1.724 20 0 GDADLP O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H](C2CC2)[C@@H]2C[NH2+]CCO2)C1 ZINC000571073266 531949310 /nfs/dbraw/zinc/94/93/10/531949310.db2.gz OFGOUAMYKJPWBW-UKPHBRMFSA-N 2 2 385.555 1.115 20 0 GDADLP CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)C[C@@H]1C[N@@H+](C)CCO1 ZINC000631675406 532002564 /nfs/dbraw/zinc/00/25/64/532002564.db2.gz OUCKNTSEAYMJDW-INIZCTEOSA-N 2 2 389.587 1.552 20 0 GDADLP C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333250825 532226751 /nfs/dbraw/zinc/22/67/51/532226751.db2.gz CKTAUIVZVZSYJU-NSHDSACASA-N 2 2 384.278 1.506 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000737525490 598853242 /nfs/dbraw/zinc/85/32/42/598853242.db2.gz RDTCMGMADSLMEZ-UHFFFAOYSA-N 2 2 390.455 1.925 20 0 GDADLP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)C1 ZINC000736859449 599080366 /nfs/dbraw/zinc/08/03/66/599080366.db2.gz ZXZIKHPTYXAXEA-KRWDZBQOSA-N 2 2 380.500 1.331 20 0 GDADLP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)C1 ZINC000736859449 599080368 /nfs/dbraw/zinc/08/03/68/599080368.db2.gz ZXZIKHPTYXAXEA-KRWDZBQOSA-N 2 2 380.500 1.331 20 0 GDADLP CCOC(=O)CCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736592752 598354038 /nfs/dbraw/zinc/35/40/38/598354038.db2.gz WCCWPAXIUFJHKX-UHFFFAOYSA-N 2 2 395.467 1.880 20 0 GDADLP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000825855841 607484157 /nfs/dbraw/zinc/48/41/57/607484157.db2.gz KKKDEGJRNYKWTB-UHFFFAOYSA-N 2 2 377.880 1.875 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183570 604460439 /nfs/dbraw/zinc/46/04/39/604460439.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183570 604460442 /nfs/dbraw/zinc/46/04/42/604460442.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@@H+]1C ZINC000828183570 604460444 /nfs/dbraw/zinc/46/04/44/604460444.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@H+]1C ZINC000828183570 604460447 /nfs/dbraw/zinc/46/04/47/604460447.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@@H+]1C ZINC000828183570 604460449 /nfs/dbraw/zinc/46/04/49/604460449.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CC[NH+](C)[C@@H](C)C3)c2C(=O)[O-])CC[N@H+]1C ZINC000828183570 604460453 /nfs/dbraw/zinc/46/04/53/604460453.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CC[N@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183570 604460454 /nfs/dbraw/zinc/46/04/54/604460454.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183570 604460456 /nfs/dbraw/zinc/46/04/56/604460456.db2.gz JDQTUHMVLAOTGS-NMWPEEMBSA-N 2 2 376.505 1.964 20 0 GDADLP COCCOCC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821693082 606185068 /nfs/dbraw/zinc/18/50/68/606185068.db2.gz QJCMPBWFGHBDQO-UHFFFAOYSA-N 2 2 383.456 1.200 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821621743 606684393 /nfs/dbraw/zinc/68/43/93/606684393.db2.gz DSJBHUBEBHSGHC-UHFFFAOYSA-N 2 2 393.442 1.243 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c(F)cc(-c2nn[nH]n2)cc1F ZINC000821621743 606684394 /nfs/dbraw/zinc/68/43/94/606684394.db2.gz DSJBHUBEBHSGHC-UHFFFAOYSA-N 2 2 393.442 1.243 20 0 GDADLP CCc1nnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821527376 606935616 /nfs/dbraw/zinc/93/56/16/606935616.db2.gz DNXDSFNOEBQJAY-CYBMUJFWSA-N 2 2 385.520 1.362 20 0 GDADLP CCc1nnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821527376 606935618 /nfs/dbraw/zinc/93/56/18/606935618.db2.gz DNXDSFNOEBQJAY-CYBMUJFWSA-N 2 2 385.520 1.362 20 0 GDADLP CC[C@H](C(=O)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)[NH+](C)C ZINC000820841814 607017278 /nfs/dbraw/zinc/01/72/78/607017278.db2.gz FPOXJSGTOBRCDG-QGZVFWFLSA-N 2 2 394.483 1.404 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826168431 608375750 /nfs/dbraw/zinc/37/57/50/608375750.db2.gz MMKDXSONVCHXQG-YJBOKZPZSA-N 2 2 385.516 1.333 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826168431 608375752 /nfs/dbraw/zinc/37/57/52/608375752.db2.gz MMKDXSONVCHXQG-YJBOKZPZSA-N 2 2 385.516 1.333 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3nn(C)cc3Br)CC2)CC1 ZINC000422016196 646033089 /nfs/dbraw/zinc/03/30/89/646033089.db2.gz HWKRGJFDXGDWBY-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3nn(C)cc3Br)CC2)CC1 ZINC000422016196 646033094 /nfs/dbraw/zinc/03/30/94/646033094.db2.gz HWKRGJFDXGDWBY-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP O[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)COc1ccccc1Br ZINC000422935255 646101394 /nfs/dbraw/zinc/10/13/94/646101394.db2.gz GYUQNDPBLGOUHT-XYPHTWIQSA-N 2 2 385.302 1.545 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423115999 646115294 /nfs/dbraw/zinc/11/52/94/646115294.db2.gz ONZRLOYFUNBBMJ-DGCLKSJQSA-N 2 2 379.885 1.114 20 0 GDADLP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528471 646128205 /nfs/dbraw/zinc/12/82/05/646128205.db2.gz WOYJUVOHEDNQHD-PWSUYJOCSA-N 2 2 377.245 1.985 20 0 GDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773162 647163836 /nfs/dbraw/zinc/16/38/36/647163836.db2.gz WSAQWJDORRGKPY-NEPJUHHUSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773162 647163839 /nfs/dbraw/zinc/16/38/39/647163839.db2.gz WSAQWJDORRGKPY-NEPJUHHUSA-N 2 2 388.921 1.198 20 0 GDADLP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470333922 647723103 /nfs/dbraw/zinc/72/31/03/647723103.db2.gz QFCQDNFILKYGAQ-ZDUSSCGKSA-N 2 2 393.123 1.950 20 0 GDADLP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Br)cc(Br)c2N)C1 ZINC000470333922 647723106 /nfs/dbraw/zinc/72/31/06/647723106.db2.gz QFCQDNFILKYGAQ-ZDUSSCGKSA-N 2 2 393.123 1.950 20 0 GDADLP [NH3+]CCOCC[NH+]1CCN(C(=O)COc2ccc(Cl)cc2Cl)CC1 ZINC000574757532 651565974 /nfs/dbraw/zinc/56/59/74/651565974.db2.gz PBDNZNXQKXODHA-UHFFFAOYSA-N 2 2 376.284 1.492 20 0 GDADLP O[C@H](COc1cc(F)cc(Br)c1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578140007 651776283 /nfs/dbraw/zinc/77/62/83/651776283.db2.gz VWIPUCRTVFVBCO-AWEZNQCLSA-N 2 2 399.264 1.873 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000623617642 653007302 /nfs/dbraw/zinc/00/73/02/653007302.db2.gz GKUKLKPQTLIOPC-ZDUSSCGKSA-N 2 2 384.274 1.607 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000623617642 653007304 /nfs/dbraw/zinc/00/73/04/653007304.db2.gz GKUKLKPQTLIOPC-ZDUSSCGKSA-N 2 2 384.274 1.607 20 0 GDADLP C[C@H](C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000655136493 653959228 /nfs/dbraw/zinc/95/92/28/653959228.db2.gz FKCLAHLNKNKTOA-CYBMUJFWSA-N 2 2 396.333 1.875 20 0 GDADLP C[C@H](NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1ncc(Br)cn1 ZINC000664954270 654394638 /nfs/dbraw/zinc/39/46/38/654394638.db2.gz CKELRYOLDLQGHN-LBPRGKRZSA-N 2 2 387.326 1.483 20 0 GDADLP C[C@H](NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1ncc(Br)cn1 ZINC000664954270 654394643 /nfs/dbraw/zinc/39/46/43/654394643.db2.gz CKELRYOLDLQGHN-LBPRGKRZSA-N 2 2 387.326 1.483 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1Br ZINC000682432489 654753040 /nfs/dbraw/zinc/75/30/40/654753040.db2.gz YTIYWACSPYSMPQ-CQSZACIVSA-N 2 2 397.317 1.660 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1Br ZINC000682432489 654753042 /nfs/dbraw/zinc/75/30/42/654753042.db2.gz YTIYWACSPYSMPQ-CQSZACIVSA-N 2 2 397.317 1.660 20 0 GDADLP Cn1ccnc1[C@@](O)(CC[NH2+]Cc1ncc(C[NH+](C)C)s1)C(F)(F)F ZINC000796276472 655209341 /nfs/dbraw/zinc/20/93/41/655209341.db2.gz ZDFGOMZESLGDHV-AWEZNQCLSA-N 2 2 377.436 1.868 20 0 GDADLP CC(C)[C@@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000766031685 655256335 /nfs/dbraw/zinc/25/63/35/655256335.db2.gz YHNRYFRCZLOOPL-GOSISDBHSA-N 2 2 375.579 1.385 20 0 GDADLP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817958062 655362878 /nfs/dbraw/zinc/36/28/78/655362878.db2.gz GVYHOACEXVJBAG-DOMZBBRYSA-N 2 2 377.532 1.046 20 0 GDADLP O[C@@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076479 655384731 /nfs/dbraw/zinc/38/47/31/655384731.db2.gz CWEPDTPDFVXECJ-ROUUACIJSA-N 2 2 398.345 1.479 20 0 GDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)CN1CC[NH+](C)CC1 ZINC000870897014 656254160 /nfs/dbraw/zinc/25/41/60/656254160.db2.gz YICISVIGQVOUBX-CZUORRHYSA-N 2 2 383.334 1.449 20 0 GDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903281 656254371 /nfs/dbraw/zinc/25/43/71/656254371.db2.gz UQWUNQICXGACIN-RHSMWYFYSA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903281 656254374 /nfs/dbraw/zinc/25/43/74/656254374.db2.gz UQWUNQICXGACIN-RHSMWYFYSA-N 2 2 397.361 1.839 20 0 GDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903282 656254395 /nfs/dbraw/zinc/25/43/95/656254395.db2.gz UQWUNQICXGACIN-WMLDXEAASA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903282 656254398 /nfs/dbraw/zinc/25/43/98/656254398.db2.gz UQWUNQICXGACIN-WMLDXEAASA-N 2 2 397.361 1.839 20 0 GDADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000925566137 656714768 /nfs/dbraw/zinc/71/47/68/656714768.db2.gz DVKGHOGQPUPARB-OCCSQVGLSA-N 2 2 390.265 1.761 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N=[S@@](C)(=O)C1CCCCC1 ZINC000881860073 656974366 /nfs/dbraw/zinc/97/43/66/656974366.db2.gz MCCTUQLCVPRHBF-QHCPKHFHSA-N 2 2 382.596 1.087 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2ncc(Br)cn2)CC1 ZINC000930527228 657031903 /nfs/dbraw/zinc/03/19/03/657031903.db2.gz XHSJYHPVYROHRZ-UHFFFAOYSA-N 2 2 377.246 1.638 20 0 GDADLP CN(C(=O)c1ccc(Br)[nH]c1=O)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578426 657201173 /nfs/dbraw/zinc/20/11/73/657201173.db2.gz VIOOBOAOWJPQLE-ZDUSSCGKSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1ccc(Br)[nH]c1=O)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578426 657201175 /nfs/dbraw/zinc/20/11/75/657201175.db2.gz VIOOBOAOWJPQLE-ZDUSSCGKSA-N 2 2 397.317 1.790 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000884230422 657337310 /nfs/dbraw/zinc/33/73/10/657337310.db2.gz RFCPBXRDNALIHC-CJNGLKHVSA-N 2 2 382.302 1.630 20 0 GDADLP [NH3+][C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1 ZINC000884338581 657348147 /nfs/dbraw/zinc/34/81/47/657348147.db2.gz MNRJROGJCZKTIH-OFLPRAFFSA-N 2 2 395.345 1.782 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C(=O)NCc3cscc3Cl)C2)CC1 ZINC000897720855 658883501 /nfs/dbraw/zinc/88/35/01/658883501.db2.gz DWKZHONXDKMBRY-ZDUSSCGKSA-N 2 2 384.933 1.302 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C(=O)NCc3cscc3Cl)C2)CC1 ZINC000897720855 658883506 /nfs/dbraw/zinc/88/35/06/658883506.db2.gz DWKZHONXDKMBRY-ZDUSSCGKSA-N 2 2 384.933 1.302 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1nn2c(c1Br)CCC2 ZINC000900691908 659137350 /nfs/dbraw/zinc/13/73/50/659137350.db2.gz CYKQXPIFVZCUOO-UHFFFAOYSA-N 2 2 398.349 1.690 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1nn2c(c1Br)CCC2 ZINC000900691908 659137353 /nfs/dbraw/zinc/13/73/53/659137353.db2.gz CYKQXPIFVZCUOO-UHFFFAOYSA-N 2 2 398.349 1.690 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740722 720809697 /nfs/dbraw/zinc/80/96/97/720809697.db2.gz AGGAOVFEVXITIU-KZNAEPCWSA-N 2 2 382.516 1.514 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740722 720809698 /nfs/dbraw/zinc/80/96/98/720809698.db2.gz AGGAOVFEVXITIU-KZNAEPCWSA-N 2 2 382.516 1.514 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@@H]43)[nH+]2)CC1 ZINC001164758401 721007151 /nfs/dbraw/zinc/00/71/51/721007151.db2.gz IOPGQCOKRXTKES-AABGKKOBSA-N 2 2 395.507 1.649 20 0 GDADLP Cn1cc(C(=O)N2CC[C@@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164768680 721036918 /nfs/dbraw/zinc/03/69/18/721036918.db2.gz VJGSBJUYLXGSOZ-QZTJIDSGSA-N 2 2 395.511 1.060 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)c12 ZINC001164783633 721415237 /nfs/dbraw/zinc/41/52/37/721415237.db2.gz JCPDZPYXEMRDQR-RYUDHWBXSA-N 2 2 384.465 1.769 20 0 GDADLP Cc1nc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)cc(N2CCCC2)[nH+]1 ZINC001164797015 721509740 /nfs/dbraw/zinc/50/97/40/721509740.db2.gz WWGAUELACZLFAO-UHFFFAOYSA-N 2 2 396.543 1.349 20 0 GDADLP Cc1nc(N2CCCC2)cc(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)[nH+]1 ZINC001164797015 721509742 /nfs/dbraw/zinc/50/97/42/721509742.db2.gz WWGAUELACZLFAO-UHFFFAOYSA-N 2 2 396.543 1.349 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571313528 946525960 /nfs/dbraw/zinc/52/59/60/946525960.db2.gz QXTUPCCUBBRLIZ-UHFFFAOYSA-N 2 2 392.467 1.175 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N1CC2(C1)CC[N@@H+](Cc1ccccc1-c1nn[nH]n1)C2 ZINC001571313528 946525966 /nfs/dbraw/zinc/52/59/66/946525966.db2.gz QXTUPCCUBBRLIZ-UHFFFAOYSA-N 2 2 392.467 1.175 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000824547865 946791207 /nfs/dbraw/zinc/79/12/07/946791207.db2.gz TVMZQFLUSJJHNS-DNVCBOLYSA-N 2 2 385.516 1.140 20 0 GDADLP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[NH+]1CCC(Nc2cccc[nH+]2)CC1 ZINC000826504591 948422536 /nfs/dbraw/zinc/42/25/36/948422536.db2.gz ZGVGIAVTKHFOMM-QGZVFWFLSA-N 2 2 395.467 1.578 20 0 GDADLP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826507970 948427153 /nfs/dbraw/zinc/42/71/53/948427153.db2.gz ZTLBBGHKMGLQIB-LJQANCHMSA-N 2 2 386.500 1.208 20 0 GDADLP c1[nH]nc2c1C[C@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826513569 948436505 /nfs/dbraw/zinc/43/65/05/948436505.db2.gz PCDPDIHQVABZGS-GOSISDBHSA-N 2 2 378.484 1.701 20 0 GDADLP CC(C)(C(=O)N1CC[NH+](Cc2ccccc2-c2nn[nH]n2)CC1)[NH+]1CCCC1 ZINC001573765678 948920962 /nfs/dbraw/zinc/92/09/62/948920962.db2.gz XAXHWHPOMYYGAX-UHFFFAOYSA-N 2 2 383.500 1.385 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433290 948948350 /nfs/dbraw/zinc/94/83/50/948948350.db2.gz SENFHTXKWIETQU-GFCCVEGCSA-N 2 2 388.501 1.543 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001573813235 949630180 /nfs/dbraw/zinc/63/01/80/949630180.db2.gz XFXIFGMZSKJRII-MRXNPFEDSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574958574 949681678 /nfs/dbraw/zinc/68/16/78/949681678.db2.gz LMUYLGXBEQWOPZ-CYZMBNFOSA-N 2 2 386.485 1.060 20 0 GDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490513 950000834 /nfs/dbraw/zinc/00/08/34/950000834.db2.gz TZMRZQKPSZIKMK-JLSDUUJJSA-N 2 2 392.467 1.500 20 0 GDADLP C[C@H](CC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574490513 950000859 /nfs/dbraw/zinc/00/08/59/950000859.db2.gz TZMRZQKPSZIKMK-JLSDUUJJSA-N 2 2 392.467 1.500 20 0 GDADLP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001574151556 950085056 /nfs/dbraw/zinc/08/50/56/950085056.db2.gz UZHMYNGUZFGSHG-KRWDZBQOSA-N 2 2 382.472 1.384 20 0 GDADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574159944 950325907 /nfs/dbraw/zinc/32/59/07/950325907.db2.gz ZYRXBVGACJOHLN-WMLDXEAASA-N 2 2 386.504 1.111 20 0 GDADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574159944 950325926 /nfs/dbraw/zinc/32/59/26/950325926.db2.gz ZYRXBVGACJOHLN-WMLDXEAASA-N 2 2 386.504 1.111 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574502132 950360381 /nfs/dbraw/zinc/36/03/81/950360381.db2.gz JGINGHXYIXFSLR-ZIAGYGMSSA-N 2 2 381.444 1.052 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202893 950437983 /nfs/dbraw/zinc/43/79/83/950437983.db2.gz FBZFBVWTWBNPFS-HUUCEWRRSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202893 950438003 /nfs/dbraw/zinc/43/80/03/950438003.db2.gz FBZFBVWTWBNPFS-HUUCEWRRSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001574771576 950925299 /nfs/dbraw/zinc/92/52/99/950925299.db2.gz GTJIIOPXPHWEOR-CYBMUJFWSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001574771576 950925311 /nfs/dbraw/zinc/92/53/11/950925311.db2.gz GTJIIOPXPHWEOR-CYBMUJFWSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001575090112 951757064 /nfs/dbraw/zinc/75/70/64/951757064.db2.gz JOEJQDJCWHEYRC-QGZVFWFLSA-N 2 2 386.485 1.199 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001575095956 951816905 /nfs/dbraw/zinc/81/69/05/951816905.db2.gz XRDMEHAQOARMAZ-CQSZACIVSA-N 2 2 390.451 1.765 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166005 952757614 /nfs/dbraw/zinc/75/76/14/952757614.db2.gz JZPSUQNBIYDOMV-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166005 952757618 /nfs/dbraw/zinc/75/76/18/952757618.db2.gz JZPSUQNBIYDOMV-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166721 952764748 /nfs/dbraw/zinc/76/47/48/952764748.db2.gz OZACGJOWYHOWRG-XJKSGUPXSA-N 2 2 380.456 1.159 20 0 GDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252937 953333846 /nfs/dbraw/zinc/33/38/46/953333846.db2.gz ZKRXAZCRCBPYKD-RHSMWYFYSA-N 2 2 384.488 1.173 20 0 GDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252937 953333849 /nfs/dbraw/zinc/33/38/49/953333849.db2.gz ZKRXAZCRCBPYKD-RHSMWYFYSA-N 2 2 384.488 1.173 20 0 GDADLP COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000162568129 530569625 /nfs/dbraw/zinc/56/96/25/530569625.db2.gz IZOYNXGNRBECEB-RDJZCZTQSA-N 2 2 398.345 1.746 20 0 GDADLP COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000162568129 530569626 /nfs/dbraw/zinc/56/96/26/530569626.db2.gz IZOYNXGNRBECEB-RDJZCZTQSA-N 2 2 398.345 1.746 20 0 GDADLP COc1nc(N2CC[NH+](CCCn3cc[nH+]c3)CC2)ncc1Br ZINC000182831948 530805691 /nfs/dbraw/zinc/80/56/91/530805691.db2.gz FTFFAZXFSUTSIK-UHFFFAOYSA-N 2 2 381.278 1.657 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246056218 531063334 /nfs/dbraw/zinc/06/33/34/531063334.db2.gz BDEQFEIQOZYTPA-QZTJIDSGSA-N 2 2 375.579 1.622 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246056218 531063338 /nfs/dbraw/zinc/06/33/38/531063338.db2.gz BDEQFEIQOZYTPA-QZTJIDSGSA-N 2 2 375.579 1.622 20 0 GDADLP CC(C)(CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000261761028 531097879 /nfs/dbraw/zinc/09/78/79/531097879.db2.gz NLOGADSNKJSINL-QGZVFWFLSA-N 2 2 384.318 1.850 20 0 GDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@H](C)C1 ZINC000152141324 531147077 /nfs/dbraw/zinc/14/70/77/531147077.db2.gz RZPMAIHGIYKXRW-GDBMZVCRSA-N 2 2 387.571 1.589 20 0 GDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@H](C)C1 ZINC000152141324 531147081 /nfs/dbraw/zinc/14/70/81/531147081.db2.gz RZPMAIHGIYKXRW-GDBMZVCRSA-N 2 2 387.571 1.589 20 0 GDADLP C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435623964 531265297 /nfs/dbraw/zinc/26/52/97/531265297.db2.gz IKZOIMNQGLNNES-CYBMUJFWSA-N 2 2 397.317 1.578 20 0 GDADLP C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@@H]1CCC[NH2+]CC1 ZINC000435623964 531265299 /nfs/dbraw/zinc/26/52/99/531265299.db2.gz IKZOIMNQGLNNES-CYBMUJFWSA-N 2 2 397.317 1.578 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(Cl)c(S(C)(=O)=O)c1 ZINC000526074312 531305772 /nfs/dbraw/zinc/30/57/72/531305772.db2.gz QHZVYLIBYCBOOU-UHFFFAOYSA-N 2 2 390.937 1.701 20 0 GDADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489911237 531513906 /nfs/dbraw/zinc/51/39/06/531513906.db2.gz YZTAWXKCRNFSBP-OAHLLOKOSA-N 2 2 385.339 1.931 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489944689 531515229 /nfs/dbraw/zinc/51/52/29/531515229.db2.gz ZWPZQWBAZRWZFG-BBRMVZONSA-N 2 2 381.318 1.756 20 0 GDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435154 531496707 /nfs/dbraw/zinc/49/67/07/531496707.db2.gz BOKKWVBNZPFUTO-JQWIXIFHSA-N 2 2 376.320 1.841 20 0 GDADLP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435154 531496711 /nfs/dbraw/zinc/49/67/11/531496711.db2.gz BOKKWVBNZPFUTO-JQWIXIFHSA-N 2 2 376.320 1.841 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000657884199 531497819 /nfs/dbraw/zinc/49/78/19/531497819.db2.gz MXKGLVQCHQFCJZ-RHSMWYFYSA-N 2 2 383.334 1.901 20 0 GDADLP C[NH2+]C[C@H](C)CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415800949 531534247 /nfs/dbraw/zinc/53/42/47/531534247.db2.gz FOTQCXSEIYDUGF-NSHDSACASA-N 2 2 386.294 1.658 20 0 GDADLP O=C(NCC[C@H]1CC[NH2+]C1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000583800492 531595579 /nfs/dbraw/zinc/59/55/79/531595579.db2.gz FNNCBDZWQVJCBC-GFCCVEGCSA-N 2 2 398.305 1.802 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000499973662 531652604 /nfs/dbraw/zinc/65/26/04/531652604.db2.gz BSAPMRVOFBNFDL-UHFFFAOYSA-N 2 2 375.382 1.733 20 0 GDADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662718716 531694034 /nfs/dbraw/zinc/69/40/34/531694034.db2.gz RWCNJOPCHNMUSS-HNNXBMFYSA-N 2 2 382.302 1.379 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1Br ZINC000662717346 531693586 /nfs/dbraw/zinc/69/35/86/531693586.db2.gz OAGDGJLJMFDJQK-PMPSAXMXSA-N 2 2 382.302 1.507 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417214072 531759902 /nfs/dbraw/zinc/75/99/02/531759902.db2.gz GQOPNRHJUKDASW-NWDGAFQWSA-N 2 2 378.274 1.848 20 0 GDADLP CCc1nc(C[NH+]2CCC(CNC(=O)NCC(F)(F)C[NH3+])CC2)cs1 ZINC000417603561 531782472 /nfs/dbraw/zinc/78/24/72/531782472.db2.gz YVMWSDDVFSBTSK-UHFFFAOYSA-N 2 2 375.489 1.811 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423104973 532071714 /nfs/dbraw/zinc/07/17/14/532071714.db2.gz HVCYEOXSGQSLFP-DZGCQCFKSA-N 2 2 375.922 1.283 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423109599 532071755 /nfs/dbraw/zinc/07/17/55/532071755.db2.gz NWSZYTVUMYKDFV-RDJZCZTQSA-N 2 2 387.933 1.283 20 0 GDADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000423750763 532081332 /nfs/dbraw/zinc/08/13/32/532081332.db2.gz VJCXSUFBBNOXFU-CYBMUJFWSA-N 2 2 381.420 1.031 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430623550 532253829 /nfs/dbraw/zinc/25/38/29/532253829.db2.gz HDKZWQKATMAZQP-STQMWFEESA-N 2 2 397.317 1.563 20 0 GDADLP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545388 532252395 /nfs/dbraw/zinc/25/23/95/532252395.db2.gz QBZCACJBWSMSGB-STQMWFEESA-N 2 2 397.317 1.563 20 0 GDADLP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545388 532252398 /nfs/dbraw/zinc/25/23/98/532252398.db2.gz QBZCACJBWSMSGB-STQMWFEESA-N 2 2 397.317 1.563 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430623550 532253823 /nfs/dbraw/zinc/25/38/23/532253823.db2.gz HDKZWQKATMAZQP-STQMWFEESA-N 2 2 397.317 1.563 20 0 GDADLP CCCNC(=O)C[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000736482896 599272223 /nfs/dbraw/zinc/27/22/23/599272223.db2.gz BJVYPLZILQVWPW-UHFFFAOYSA-N 2 2 394.483 1.239 20 0 GDADLP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290532 599289911 /nfs/dbraw/zinc/28/99/11/599289911.db2.gz PQHGLHRHKLDWKG-ZBFHGGJFSA-N 2 2 378.440 1.336 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737498049 598355484 /nfs/dbraw/zinc/35/54/84/598355484.db2.gz CJAIICPQVCMQJK-KRWDZBQOSA-N 2 2 380.456 1.325 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737498049 598355486 /nfs/dbraw/zinc/35/54/86/598355486.db2.gz CJAIICPQVCMQJK-KRWDZBQOSA-N 2 2 380.456 1.325 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853683 598769253 /nfs/dbraw/zinc/76/92/53/598769253.db2.gz ZMCMKCBOOOOEFZ-FYCOFBDGSA-N 2 2 381.484 1.165 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853683 598769255 /nfs/dbraw/zinc/76/92/55/598769255.db2.gz ZMCMKCBOOOOEFZ-FYCOFBDGSA-N 2 2 381.484 1.165 20 0 GDADLP CC[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000820842622 599695859 /nfs/dbraw/zinc/69/58/59/599695859.db2.gz OLNGGKTUKLBYFW-SFHVURJKSA-N 2 2 385.516 1.631 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410544 607478329 /nfs/dbraw/zinc/47/83/29/607478329.db2.gz QFNFODPXNMUSOU-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410544 607478330 /nfs/dbraw/zinc/47/83/30/607478330.db2.gz QFNFODPXNMUSOU-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410544 607478331 /nfs/dbraw/zinc/47/83/31/607478331.db2.gz QFNFODPXNMUSOU-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410544 607478332 /nfs/dbraw/zinc/47/83/32/607478332.db2.gz QFNFODPXNMUSOU-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476930 606321963 /nfs/dbraw/zinc/32/19/63/606321963.db2.gz AHROXSCTSPHPSO-UKRRQHHQSA-N 2 2 398.496 1.876 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476930 606321964 /nfs/dbraw/zinc/32/19/64/606321964.db2.gz AHROXSCTSPHPSO-UKRRQHHQSA-N 2 2 398.496 1.876 20 0 GDADLP C[NH2+]CCCc1[nH]nc(NC(=O)c2ccc(-n3cc[nH+]c3)cc2)c1-c1nn[nH]n1 ZINC000826084017 608019030 /nfs/dbraw/zinc/01/90/30/608019030.db2.gz UCKGHGBTDSIOBN-UHFFFAOYSA-N 2 2 392.427 1.180 20 0 GDADLP C[C@H]1C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985178 608170647 /nfs/dbraw/zinc/17/06/47/608170647.db2.gz SNAJRFKOIINIPP-QFBILLFUSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985178 608170648 /nfs/dbraw/zinc/17/06/48/608170648.db2.gz SNAJRFKOIINIPP-QFBILLFUSA-N 2 2 385.516 1.203 20 0 GDADLP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194097 608170946 /nfs/dbraw/zinc/17/09/46/608170946.db2.gz AKRICSRMJVINHV-MAUKXSAKSA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194097 608170948 /nfs/dbraw/zinc/17/09/48/608170948.db2.gz AKRICSRMJVINHV-MAUKXSAKSA-N 2 2 385.516 1.333 20 0 GDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000826522246 608666039 /nfs/dbraw/zinc/66/60/39/608666039.db2.gz SQQYXIPLMHMAFF-CQSZACIVSA-N 2 2 375.440 1.843 20 0 GDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000826522246 608666041 /nfs/dbraw/zinc/66/60/41/608666041.db2.gz SQQYXIPLMHMAFF-CQSZACIVSA-N 2 2 375.440 1.843 20 0 GDADLP Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826236746 609550366 /nfs/dbraw/zinc/55/03/66/609550366.db2.gz AZZRCSNEGVBRLV-CQSZACIVSA-N 2 2 390.923 1.828 20 0 GDADLP Cc1c(Cl)cnc(N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826236746 609550369 /nfs/dbraw/zinc/55/03/69/609550369.db2.gz AZZRCSNEGVBRLV-CQSZACIVSA-N 2 2 390.923 1.828 20 0 GDADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379057 645942181 /nfs/dbraw/zinc/94/21/81/645942181.db2.gz AKZJRWOPQXOUTB-BBRMVZONSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@@H](C(=O)N(C)Cc1ccc(Br)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000420379057 645942184 /nfs/dbraw/zinc/94/21/84/645942184.db2.gz AKZJRWOPQXOUTB-BBRMVZONSA-N 2 2 384.318 1.846 20 0 GDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773165 647163884 /nfs/dbraw/zinc/16/38/84/647163884.db2.gz WSAQWJDORRGKPY-RYUDHWBXSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773165 647163886 /nfs/dbraw/zinc/16/38/86/647163886.db2.gz WSAQWJDORRGKPY-RYUDHWBXSA-N 2 2 388.921 1.198 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000576429222 651663297 /nfs/dbraw/zinc/66/32/97/651663297.db2.gz ODUGZRDXVPBHBN-HOCLYGCPSA-N 2 2 394.313 1.928 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@H](c3cccc(Br)c3)C2)C1=O ZINC000576429222 651663302 /nfs/dbraw/zinc/66/33/02/651663302.db2.gz ODUGZRDXVPBHBN-HOCLYGCPSA-N 2 2 394.313 1.928 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCn3cc(Br)cn3)C2)CC1 ZINC000602198596 652624052 /nfs/dbraw/zinc/62/40/52/652624052.db2.gz FJAHIEQGDNLFIC-CQSZACIVSA-N 2 2 384.322 1.320 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCn3cc(Br)cn3)C2)CC1 ZINC000602198596 652624053 /nfs/dbraw/zinc/62/40/53/652624053.db2.gz FJAHIEQGDNLFIC-CQSZACIVSA-N 2 2 384.322 1.320 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn2cc(Br)cnc12 ZINC000617765653 652976375 /nfs/dbraw/zinc/97/63/75/652976375.db2.gz KZNYKIXYBIQGPN-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn2cc(Br)cnc12 ZINC000617765653 652976377 /nfs/dbraw/zinc/97/63/77/652976377.db2.gz KZNYKIXYBIQGPN-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000649686524 653671877 /nfs/dbraw/zinc/67/18/77/653671877.db2.gz LRRMWZLPWDPEHE-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2ccc(Br)cc2)CC1=O ZINC000649686524 653671879 /nfs/dbraw/zinc/67/18/79/653671879.db2.gz LRRMWZLPWDPEHE-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP Cn1cc(Br)c(CNC(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000652370718 653889180 /nfs/dbraw/zinc/88/91/80/653889180.db2.gz LNSHUGASRBGVTK-LBPRGKRZSA-N 2 2 399.337 1.150 20 0 GDADLP Cn1cc(Br)c(CNC(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000652370718 653889186 /nfs/dbraw/zinc/88/91/86/653889186.db2.gz LNSHUGASRBGVTK-LBPRGKRZSA-N 2 2 399.337 1.150 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192216 654446253 /nfs/dbraw/zinc/44/62/53/654446253.db2.gz MLAZPAQIRXDFNN-UHFFFAOYSA-N 2 2 398.309 1.497 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1nc2cc(Br)ccn2n1 ZINC000667192216 654446254 /nfs/dbraw/zinc/44/62/54/654446254.db2.gz MLAZPAQIRXDFNN-UHFFFAOYSA-N 2 2 398.309 1.497 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000801094594 654908521 /nfs/dbraw/zinc/90/85/21/654908521.db2.gz OPUHATXUVBPZSA-LBPRGKRZSA-N 2 2 384.322 1.389 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000801094594 654908525 /nfs/dbraw/zinc/90/85/25/654908525.db2.gz OPUHATXUVBPZSA-LBPRGKRZSA-N 2 2 384.322 1.389 20 0 GDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 ZINC000842476924 655366671 /nfs/dbraw/zinc/36/66/71/655366671.db2.gz XEDFAVPEECYFSB-CYBMUJFWSA-N 2 2 375.441 1.599 20 0 GDADLP CC(C)[NH+]1CCN(C2CC[NH+](CCn3cnc(Br)n3)CC2)CC1 ZINC000851879578 655601829 /nfs/dbraw/zinc/60/18/29/655601829.db2.gz KZEDBOLRPHXQJS-UHFFFAOYSA-N 2 2 385.354 1.531 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000865449876 655919986 /nfs/dbraw/zinc/91/99/86/655919986.db2.gz CXAURMNSNDVYKB-LBPRGKRZSA-N 2 2 385.306 1.530 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000865449876 655919988 /nfs/dbraw/zinc/91/99/88/655919988.db2.gz CXAURMNSNDVYKB-LBPRGKRZSA-N 2 2 385.306 1.530 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1Cl ZINC000865462254 655920255 /nfs/dbraw/zinc/92/02/55/655920255.db2.gz HZSVOHHDJOOUDO-HNNXBMFYSA-N 2 2 387.933 1.720 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000866709824 655955763 /nfs/dbraw/zinc/95/57/63/655955763.db2.gz MEBMTTCCYCYJAJ-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000866709824 655955764 /nfs/dbraw/zinc/95/57/64/655955764.db2.gz MEBMTTCCYCYJAJ-YUELXQCFSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(F)ccc2Br)C1 ZINC000866709186 655955772 /nfs/dbraw/zinc/95/57/72/655955772.db2.gz ISGWXILCYYUBKU-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(F)ccc2Br)C1 ZINC000866709186 655955774 /nfs/dbraw/zinc/95/57/74/655955774.db2.gz ISGWXILCYYUBKU-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccc(I)cc2)CC1 ZINC000925899915 656725101 /nfs/dbraw/zinc/72/51/01/656725101.db2.gz MAYDYORATNVMPB-UHFFFAOYSA-N 2 2 388.253 1.836 20 0 GDADLP C[NH+](C)C1(C)CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000931357591 657092471 /nfs/dbraw/zinc/09/24/71/657092471.db2.gz XJQGSXZYQCGMPI-HNNXBMFYSA-N 2 2 375.579 1.404 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000932623467 657203469 /nfs/dbraw/zinc/20/34/69/657203469.db2.gz YCRINYMFTGQXFS-AWEZNQCLSA-N 2 2 396.333 1.419 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)C3(n4cc(Br)cn4)CC3)C2)CC1 ZINC000932623467 657203480 /nfs/dbraw/zinc/20/34/80/657203480.db2.gz YCRINYMFTGQXFS-AWEZNQCLSA-N 2 2 396.333 1.419 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000884230421 657337417 /nfs/dbraw/zinc/33/74/17/657337417.db2.gz RFCPBXRDNALIHC-BBRMVZONSA-N 2 2 382.302 1.630 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CCCO[C@H]4[C@@H](N4CCCC4=O)C3)[nH+]2)CC1 ZINC001164655194 719304280 /nfs/dbraw/zinc/30/42/80/719304280.db2.gz SIYPXIPBTRNSBS-NPPFBWRTSA-N 2 2 399.539 1.440 20 0 GDADLP C[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@@H]21 ZINC001164668546 719463987 /nfs/dbraw/zinc/46/39/87/719463987.db2.gz QNYOTXDQFRDYKR-OALUTQOASA-N 2 2 380.496 1.322 20 0 GDADLP C[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@@H]21 ZINC001164668546 719463995 /nfs/dbraw/zinc/46/39/95/719463995.db2.gz QNYOTXDQFRDYKR-OALUTQOASA-N 2 2 380.496 1.322 20 0 GDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)CC2 ZINC001164690258 719747653 /nfs/dbraw/zinc/74/76/53/719747653.db2.gz WZUJILDBQKPRBU-KRWDZBQOSA-N 2 2 386.544 1.894 20 0 GDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCC[C@H](C)C3)[nH+]cn1)CC2 ZINC001164690258 719747665 /nfs/dbraw/zinc/74/76/65/719747665.db2.gz WZUJILDBQKPRBU-KRWDZBQOSA-N 2 2 386.544 1.894 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164719848 720257679 /nfs/dbraw/zinc/25/76/79/720257679.db2.gz PQARPDNRTMWHKR-FQEVSTJZSA-N 2 2 376.501 1.534 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164719848 720257692 /nfs/dbraw/zinc/25/76/92/720257692.db2.gz PQARPDNRTMWHKR-FQEVSTJZSA-N 2 2 376.501 1.534 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)c12 ZINC001164728742 720569191 /nfs/dbraw/zinc/56/91/91/720569191.db2.gz LQAODFTXIHWCQT-UHFFFAOYSA-N 2 2 395.467 1.600 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849419 720830830 /nfs/dbraw/zinc/83/08/30/720830830.db2.gz PTAFHNOPZWGALV-MSOLQXFVSA-N 2 2 375.517 1.559 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849419 720830834 /nfs/dbraw/zinc/83/08/34/720830834.db2.gz PTAFHNOPZWGALV-MSOLQXFVSA-N 2 2 375.517 1.559 20 0 GDADLP Cn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886698 721390342 /nfs/dbraw/zinc/39/03/42/721390342.db2.gz FMXUZFIABQLNPG-LAUBAEHRSA-N 2 2 384.528 1.734 20 0 GDADLP CN(C)c1cccc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164911450 721770616 /nfs/dbraw/zinc/77/06/16/721770616.db2.gz GSZYKZISZBBLGN-NRFANRHFSA-N 2 2 383.496 1.650 20 0 GDADLP CN(C)c1cccc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)[nH+]1 ZINC001164911450 721770618 /nfs/dbraw/zinc/77/06/18/721770618.db2.gz GSZYKZISZBBLGN-NRFANRHFSA-N 2 2 383.496 1.650 20 0 GDADLP CCCc1cc(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc(C)[nH+]1 ZINC001164997611 722235636 /nfs/dbraw/zinc/23/56/36/722235636.db2.gz SBNXIRNMCUVVRA-UHFFFAOYSA-N 2 2 381.528 1.885 20 0 GDADLP C[N@@H+]1CCC[C@H](N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000821623535 945753515 /nfs/dbraw/zinc/75/35/15/945753515.db2.gz MWQBIBLSRDREKG-HNNXBMFYSA-N 2 2 378.484 1.631 20 0 GDADLP C[N@H+]1CCC[C@H](N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000821623535 945753521 /nfs/dbraw/zinc/75/35/21/945753521.db2.gz MWQBIBLSRDREKG-HNNXBMFYSA-N 2 2 378.484 1.631 20 0 GDADLP C[C@@H]1COCCN1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825007222 947042431 /nfs/dbraw/zinc/04/24/31/947042431.db2.gz XOJYPKRADDEYQW-MRXNPFEDSA-N 2 2 385.516 1.141 20 0 GDADLP CCNC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825470361 947197140 /nfs/dbraw/zinc/19/71/40/947197140.db2.gz CABHKYNEFAOKEX-GOSISDBHSA-N 2 2 398.515 1.225 20 0 GDADLP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575252781 949170674 /nfs/dbraw/zinc/17/06/74/949170674.db2.gz HKOUYZXNPYFHCT-GFCCVEGCSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263447 949396177 /nfs/dbraw/zinc/39/61/77/949396177.db2.gz HCLAVNZABWCKJZ-SJCJKPOMSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263447 949396199 /nfs/dbraw/zinc/39/61/99/949396199.db2.gz HCLAVNZABWCKJZ-SJCJKPOMSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574476234 949593069 /nfs/dbraw/zinc/59/30/69/949593069.db2.gz FMXPIFBADXUNDG-UONOGXRCSA-N 2 2 381.444 1.147 20 0 GDADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574958576 949682201 /nfs/dbraw/zinc/68/22/01/949682201.db2.gz LMUYLGXBEQWOPZ-RAIGVLPGSA-N 2 2 386.485 1.060 20 0 GDADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574720840 949802931 /nfs/dbraw/zinc/80/29/31/949802931.db2.gz IBLOABDIFTWKIR-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001576202556 950430223 /nfs/dbraw/zinc/43/02/23/950430223.db2.gz AVXCLBKLHHWMEZ-CABCVRRESA-N 2 2 386.504 1.111 20 0 GDADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574509805 950529080 /nfs/dbraw/zinc/52/90/80/950529080.db2.gz YANNCWFINLDVML-QWHCGFSZSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)[C@@H]1C)n1cc[nH+]c1 ZINC001574512806 950585419 /nfs/dbraw/zinc/58/54/19/950585419.db2.gz CZXORTMGBKKEBJ-GUTXKFCHSA-N 2 2 381.444 1.193 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574515144 950622368 /nfs/dbraw/zinc/62/23/68/950622368.db2.gz AHFCVIGSDGFQCT-KBRIMQKVSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cc[nH+]c1 ZINC001574515182 950623780 /nfs/dbraw/zinc/62/37/80/950623780.db2.gz BPIHKTPALOHJLM-WKCGWZECSA-N 2 2 392.467 1.261 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cc[nH+]c1 ZINC001574515182 950623798 /nfs/dbraw/zinc/62/37/98/950623798.db2.gz BPIHKTPALOHJLM-WKCGWZECSA-N 2 2 392.467 1.261 20 0 GDADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098105 951820271 /nfs/dbraw/zinc/82/02/71/951820271.db2.gz ARIYCMRKTCZFNR-STQMWFEESA-N 2 2 388.501 1.618 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575201654 952506935 /nfs/dbraw/zinc/50/69/35/952506935.db2.gz JVUSSMPBUKCOHR-KBPBESRZSA-N 2 2 382.472 1.405 20 0 GDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166720 952764207 /nfs/dbraw/zinc/76/42/07/952764207.db2.gz OZACGJOWYHOWRG-CZUORRHYSA-N 2 2 380.456 1.159 20 0 GDADLP C[C@H]1C[C@@H](C(=O)N(C)C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@@H+]1C ZINC001571235155 953209324 /nfs/dbraw/zinc/20/93/24/953209324.db2.gz VFTSLUVJZCAELD-YOEHRIQHSA-N 2 2 383.500 1.240 20 0 GDADLP C[C@H]1C[C@@H](C(=O)N(C)C2C[NH+](Cc3cccc(-c4nn[nH]n4)c3)C2)CC[N@H+]1C ZINC001571235155 953209325 /nfs/dbraw/zinc/20/93/25/953209325.db2.gz VFTSLUVJZCAELD-YOEHRIQHSA-N 2 2 383.500 1.240 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251836 953320767 /nfs/dbraw/zinc/32/07/67/953320767.db2.gz AVUCFHQWVIOELX-JKSUJKDBSA-N 2 2 384.488 1.077 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251836 953320770 /nfs/dbraw/zinc/32/07/70/953320770.db2.gz AVUCFHQWVIOELX-JKSUJKDBSA-N 2 2 384.488 1.077 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167075466 530583405 /nfs/dbraw/zinc/58/34/05/530583405.db2.gz FHWYFXLUUHVFFE-RYQLBKOJSA-N 2 2 375.579 1.620 20 0 GDADLP COC[C@H](C)S(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167075466 530583408 /nfs/dbraw/zinc/58/34/08/530583408.db2.gz FHWYFXLUUHVFFE-RYQLBKOJSA-N 2 2 375.579 1.620 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cc1 ZINC000174710834 530653046 /nfs/dbraw/zinc/65/30/46/530653046.db2.gz OFQUGSMXRLBCNI-UHFFFAOYSA-N 2 2 383.334 1.957 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccc(Br)cc1 ZINC000174710834 530653048 /nfs/dbraw/zinc/65/30/48/530653048.db2.gz OFQUGSMXRLBCNI-UHFFFAOYSA-N 2 2 383.334 1.957 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2nc(C(F)(F)F)cs2)CC1 ZINC000175800938 530670282 /nfs/dbraw/zinc/67/02/82/530670282.db2.gz RSEXIEMSDWEINW-UHFFFAOYSA-N 2 2 379.452 1.987 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2cc(O)ccc2Br)CN1CC[NH+]1CCOCC1 ZINC000178904822 530729806 /nfs/dbraw/zinc/72/98/06/530729806.db2.gz BBOWJFHTNKOFCL-CQSZACIVSA-N 2 2 398.301 1.177 20 0 GDADLP Cc1ncc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)s1 ZINC000116922324 530909653 /nfs/dbraw/zinc/90/96/53/530909653.db2.gz ILBNRTKKDCGGHN-UHFFFAOYSA-N 2 2 380.539 1.677 20 0 GDADLP Cc1nn(C)c(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)c1Br ZINC000279064335 531410733 /nfs/dbraw/zinc/41/07/33/531410733.db2.gz FNLBVPUURYJOCW-UHFFFAOYSA-N 2 2 393.333 1.928 20 0 GDADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414968638 531464009 /nfs/dbraw/zinc/46/40/09/531464009.db2.gz RZRSFQNVPOXFIF-INIZCTEOSA-N 2 2 386.334 1.858 20 0 GDADLP COc1c(Br)cc(Br)cc1C[N@H+](C)C[C@H](O)C[NH3+] ZINC000415052739 531466099 /nfs/dbraw/zinc/46/60/99/531466099.db2.gz IVFWVAGNMQMYOA-SNVBAGLBSA-N 2 2 382.096 1.972 20 0 GDADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@H](O)C[NH3+] ZINC000415052739 531466104 /nfs/dbraw/zinc/46/61/04/531466104.db2.gz IVFWVAGNMQMYOA-SNVBAGLBSA-N 2 2 382.096 1.972 20 0 GDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415576565 531496364 /nfs/dbraw/zinc/49/63/64/531496364.db2.gz YHRHRQUKWQFFKW-NWDGAFQWSA-N 2 2 397.317 1.658 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280727049 531531880 /nfs/dbraw/zinc/53/18/80/531531880.db2.gz NSQTWDAIMIEFLD-SNVBAGLBSA-N 2 2 376.320 1.841 20 0 GDADLP CC[C@@H]([NH2+]C[C@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867989 531550460 /nfs/dbraw/zinc/55/04/60/531550460.db2.gz NMIVQDLWFQGYEL-GOEBONIOSA-N 2 2 388.965 1.535 20 0 GDADLP CC[C@@H]([NH2+]C[C@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867989 531550479 /nfs/dbraw/zinc/55/04/79/531550479.db2.gz NMIVQDLWFQGYEL-GOEBONIOSA-N 2 2 388.965 1.535 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000638134294 531645678 /nfs/dbraw/zinc/64/56/78/531645678.db2.gz OEYFPZDVFPAXRL-HNNXBMFYSA-N 2 2 389.949 1.920 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000638134294 531645681 /nfs/dbraw/zinc/64/56/81/531645681.db2.gz OEYFPZDVFPAXRL-HNNXBMFYSA-N 2 2 389.949 1.920 20 0 GDADLP CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000365317173 531636979 /nfs/dbraw/zinc/63/69/79/531636979.db2.gz SGLMKRCCPWPJPF-CYBMUJFWSA-N 2 2 398.349 1.975 20 0 GDADLP CCc1n[nH]c(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000365317173 531636988 /nfs/dbraw/zinc/63/69/88/531636988.db2.gz SGLMKRCCPWPJPF-CYBMUJFWSA-N 2 2 398.349 1.975 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000638385070 531651443 /nfs/dbraw/zinc/65/14/43/531651443.db2.gz BLZGMXYARRLDEI-UHFFFAOYSA-N 2 2 381.523 1.518 20 0 GDADLP Cc1nn(C)c(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1Br ZINC000560547049 531655181 /nfs/dbraw/zinc/65/51/81/531655181.db2.gz GDPQHPGLXJKANE-UHFFFAOYSA-N 2 2 386.338 1.573 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000561159734 531683319 /nfs/dbraw/zinc/68/33/19/531683319.db2.gz YNMAUTDJODKMAG-ZIAGYGMSSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000561159734 531683325 /nfs/dbraw/zinc/68/33/25/531683325.db2.gz YNMAUTDJODKMAG-ZIAGYGMSSA-N 2 2 396.333 1.312 20 0 GDADLP OC[C@@H]1C[NH+](CCC[N@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC000640044706 531718050 /nfs/dbraw/zinc/71/80/50/531718050.db2.gz ZIFTTWJXYVOXDA-WUHRBBMRSA-N 2 2 378.357 1.582 20 0 GDADLP OC[C@@H]1C[NH+](CCC[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)C[C@H]1C(F)(F)F ZINC000640044706 531718057 /nfs/dbraw/zinc/71/80/57/531718057.db2.gz ZIFTTWJXYVOXDA-WUHRBBMRSA-N 2 2 378.357 1.582 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417214315 531760990 /nfs/dbraw/zinc/76/09/90/531760990.db2.gz GQOPNRHJUKDASW-VXGBXAGGSA-N 2 2 378.274 1.848 20 0 GDADLP C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H](C[NH3+])C1 ZINC000563101686 531806264 /nfs/dbraw/zinc/80/62/64/531806264.db2.gz MCDIYHHFIUAQPU-GFCCVEGCSA-N 2 2 379.511 1.101 20 0 GDADLP C[N@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@H](C[NH3+])C1 ZINC000563101686 531806270 /nfs/dbraw/zinc/80/62/70/531806270.db2.gz MCDIYHHFIUAQPU-GFCCVEGCSA-N 2 2 379.511 1.101 20 0 GDADLP Brc1cnccc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000641787229 531853536 /nfs/dbraw/zinc/85/35/36/531853536.db2.gz SABRLGYKBBBCAY-MRXNPFEDSA-N 2 2 383.334 1.730 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(Br)cc1 ZINC000649320809 531926377 /nfs/dbraw/zinc/92/63/77/531926377.db2.gz ANUBWISHEJGONH-XYJFISCASA-N 2 2 396.329 1.681 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000284575999 531970874 /nfs/dbraw/zinc/97/08/74/531970874.db2.gz JLQFDRYVOMZNEZ-IXPVHAAZSA-N 2 2 381.278 1.377 20 0 GDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000629584041 531983728 /nfs/dbraw/zinc/98/37/28/531983728.db2.gz KJLHOAFZQUAVNT-CALCHBBNSA-N 2 2 377.286 1.888 20 0 GDADLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cc(=O)n3cc(Br)ccc3n1)C2 ZINC000629584041 531983732 /nfs/dbraw/zinc/98/37/32/531983732.db2.gz KJLHOAFZQUAVNT-CALCHBBNSA-N 2 2 377.286 1.888 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)ccc1Cl ZINC000631090057 531997197 /nfs/dbraw/zinc/99/71/97/531997197.db2.gz FDDVZABGRGNLLV-CVEARBPZSA-N 2 2 387.933 1.455 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@H+](C)CCO1 ZINC000632164779 532015420 /nfs/dbraw/zinc/01/54/20/532015420.db2.gz WGJIYOLQNGAJKM-SJORKVTESA-N 2 2 389.949 1.583 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1C[N@@H+](C)CCO1 ZINC000632164779 532015423 /nfs/dbraw/zinc/01/54/23/532015423.db2.gz WGJIYOLQNGAJKM-SJORKVTESA-N 2 2 389.949 1.583 20 0 GDADLP COC(=O)c1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000271724937 532045994 /nfs/dbraw/zinc/04/59/94/532045994.db2.gz SDKSXNXNWMSVSS-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP COC(=O)c1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cs1 ZINC000271724937 532046002 /nfs/dbraw/zinc/04/60/02/532046002.db2.gz SDKSXNXNWMSVSS-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH2+]CC1([NH3+])CCC1 ZINC000579474946 532061617 /nfs/dbraw/zinc/06/16/17/532061617.db2.gz XLQDEMDKLOLGMD-UHFFFAOYSA-N 2 2 397.317 1.625 20 0 GDADLP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333331650 532230005 /nfs/dbraw/zinc/23/00/05/532230005.db2.gz OKSDGTWQPIWKFR-DGCLKSJQSA-N 2 2 398.305 1.800 20 0 GDADLP C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[C@H]1[NH3+] ZINC000333390186 532231941 /nfs/dbraw/zinc/23/19/41/532231941.db2.gz XILXDMAIGNKGAA-DGCLKSJQSA-N 2 2 398.305 1.882 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@H]2C[NH3+])c1 ZINC000430561421 532251466 /nfs/dbraw/zinc/25/14/66/532251466.db2.gz LJTGGOIWKBPDTM-LBPRGKRZSA-N 2 2 388.921 1.342 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC[C@H]2C[NH3+])c1 ZINC000430561421 532251470 /nfs/dbraw/zinc/25/14/70/532251470.db2.gz LJTGGOIWKBPDTM-LBPRGKRZSA-N 2 2 388.921 1.342 20 0 GDADLP C[NH2+]C1CC[NH+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000430959405 532258410 /nfs/dbraw/zinc/25/84/10/532258410.db2.gz ZDCZWJGNGFNLOV-UHFFFAOYSA-N 2 2 386.327 1.721 20 0 GDADLP C[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000430938002 532258979 /nfs/dbraw/zinc/25/89/79/532258979.db2.gz GHLBJUWEDZXFHP-BBRMVZONSA-N 2 2 384.318 1.955 20 0 GDADLP C[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000430938002 532258984 /nfs/dbraw/zinc/25/89/84/532258984.db2.gz GHLBJUWEDZXFHP-BBRMVZONSA-N 2 2 384.318 1.955 20 0 GDADLP O[C@@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000378532390 532289772 /nfs/dbraw/zinc/28/97/72/532289772.db2.gz LCYKYDHQFGYWSA-KRWDZBQOSA-N 2 2 399.329 1.642 20 0 GDADLP CCO[C@@H]1C[N@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC000405387598 532306709 /nfs/dbraw/zinc/30/67/09/532306709.db2.gz PZXQAJBDDYGVBF-BXUZGUMPSA-N 2 2 381.274 1.253 20 0 GDADLP CCO[C@@H]1C[N@@H+](Cc2cc(=O)n3cc(Br)ccc3n2)C[C@H]1C[NH3+] ZINC000405387598 532306712 /nfs/dbraw/zinc/30/67/12/532306712.db2.gz PZXQAJBDDYGVBF-BXUZGUMPSA-N 2 2 381.274 1.253 20 0 GDADLP Cc1cccc2c(NC[C@H](C(C)C)[NH+]3CCOCC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000737407473 599121610 /nfs/dbraw/zinc/12/16/10/599121610.db2.gz BQJUJNBEGTVHAZ-QGZVFWFLSA-N 2 2 381.484 1.914 20 0 GDADLP C[NH+]1CCC(CNC(=O)Cc2ccc(-c3nn[nH]n3)cc2)([NH+]2CCCCC2)CC1 ZINC000736849329 599230835 /nfs/dbraw/zinc/23/08/35/599230835.db2.gz RVRCWFDISRKKDI-UHFFFAOYSA-N 2 2 397.527 1.476 20 0 GDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735880708 598344526 /nfs/dbraw/zinc/34/45/26/598344526.db2.gz AOSYDYUGKSIDNC-LJQANCHMSA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)C1 ZINC000735880708 598344528 /nfs/dbraw/zinc/34/45/28/598344528.db2.gz AOSYDYUGKSIDNC-LJQANCHMSA-N 2 2 385.516 1.094 20 0 GDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)nc[nH+]1 ZINC000821637545 599430545 /nfs/dbraw/zinc/43/05/45/599430545.db2.gz KLQOTPIYFSNLLM-CQSZACIVSA-N 2 2 395.471 1.466 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000825865774 607471112 /nfs/dbraw/zinc/47/11/12/607471112.db2.gz KJJMXWRBFZZLQD-KRWDZBQOSA-N 2 2 394.483 1.216 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330724 607638111 /nfs/dbraw/zinc/63/81/11/607638111.db2.gz FYCVRDMDXGTDBL-QZTJIDSGSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330724 607638112 /nfs/dbraw/zinc/63/81/12/607638112.db2.gz FYCVRDMDXGTDBL-QZTJIDSGSA-N 2 2 392.467 1.642 20 0 GDADLP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821626960 606211633 /nfs/dbraw/zinc/21/16/33/606211633.db2.gz HHFRFGULBSXBGD-UHFFFAOYSA-N 2 2 383.525 1.965 20 0 GDADLP CN1CC[NH+](Cc2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821626960 606211634 /nfs/dbraw/zinc/21/16/34/606211634.db2.gz HHFRFGULBSXBGD-UHFFFAOYSA-N 2 2 383.525 1.965 20 0 GDADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505153 606323839 /nfs/dbraw/zinc/32/38/39/606323839.db2.gz YDHADWDAXCJFGG-ZDUSSCGKSA-N 2 2 384.469 1.636 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1cnccc1-c1nn[nH]n1 ZINC000826023232 608788740 /nfs/dbraw/zinc/78/87/40/608788740.db2.gz ZHNNWPSBBAXSTP-UHFFFAOYSA-N 2 2 384.532 1.894 20 0 GDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586040 609140994 /nfs/dbraw/zinc/14/09/94/609140994.db2.gz WMBBVKSWFRIQEG-OCCSQVGLSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586040 609140995 /nfs/dbraw/zinc/14/09/95/609140995.db2.gz WMBBVKSWFRIQEG-OCCSQVGLSA-N 2 2 375.452 1.244 20 0 GDADLP CS[C@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1[NH+](C)C ZINC000537288948 650288647 /nfs/dbraw/zinc/28/86/47/650288647.db2.gz CHFXQYDDRIHYIZ-SJORKVTESA-N 2 2 382.599 1.370 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000262059086 645121929 /nfs/dbraw/zinc/12/19/29/645121929.db2.gz QYIQWTXXVPSGTH-CYBMUJFWSA-N 2 2 398.301 1.997 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2c(c(Br)c1)OCO2 ZINC000262059086 645121934 /nfs/dbraw/zinc/12/19/34/645121934.db2.gz QYIQWTXXVPSGTH-CYBMUJFWSA-N 2 2 398.301 1.997 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)s1 ZINC000422931251 646100543 /nfs/dbraw/zinc/10/05/43/646100543.db2.gz BIPQMLMZKRFGJH-KBPBESRZSA-N 2 2 375.560 1.635 20 0 GDADLP O=S(=O)(NCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000423095084 646112266 /nfs/dbraw/zinc/11/22/66/646112266.db2.gz DDGZIYYSAIIVHV-WBVHZDCISA-N 2 2 387.933 1.365 20 0 GDADLP C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498892667 648069376 /nfs/dbraw/zinc/06/93/76/648069376.db2.gz QCKDEIWADSLCJW-ROUUACIJSA-N 2 2 375.579 1.386 20 0 GDADLP O=C(COC1C[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000578529751 651798399 /nfs/dbraw/zinc/79/83/99/651798399.db2.gz FQDQUNPWOFBHMQ-UHFFFAOYSA-N 2 2 393.285 1.663 20 0 GDADLP [NH3+]CC(F)(F)CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595952179 652429418 /nfs/dbraw/zinc/42/94/18/652429418.db2.gz YKAWJMSEVKQYSG-UHFFFAOYSA-N 2 2 387.193 1.280 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000623618066 653007191 /nfs/dbraw/zinc/00/71/91/653007191.db2.gz BEXJHRBDNWPTIJ-AWEZNQCLSA-N 2 2 398.301 1.650 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cc(Br)c2c(c1)OCCO2 ZINC000623618066 653007196 /nfs/dbraw/zinc/00/71/96/653007196.db2.gz BEXJHRBDNWPTIJ-AWEZNQCLSA-N 2 2 398.301 1.650 20 0 GDADLP Cc1c(Br)c[nH]c(=O)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000631275122 653233043 /nfs/dbraw/zinc/23/30/43/653233043.db2.gz ARFJPCHMAAWMOZ-UHFFFAOYSA-N 2 2 399.333 1.956 20 0 GDADLP Cc1c(Br)c[nH]c(=O)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000631275122 653233046 /nfs/dbraw/zinc/23/30/46/653233046.db2.gz ARFJPCHMAAWMOZ-UHFFFAOYSA-N 2 2 399.333 1.956 20 0 GDADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000631910679 653267588 /nfs/dbraw/zinc/26/75/88/653267588.db2.gz LFLRVGCESZRWCE-KRWDZBQOSA-N 2 2 387.933 1.166 20 0 GDADLP O=S(=O)(C[C@@H]1C[NH2+]CCO1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000631910679 653267589 /nfs/dbraw/zinc/26/75/89/653267589.db2.gz LFLRVGCESZRWCE-KRWDZBQOSA-N 2 2 387.933 1.166 20 0 GDADLP COc1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644636150 653599831 /nfs/dbraw/zinc/59/98/31/653599831.db2.gz YAIRWEAEQQGSGT-CYBMUJFWSA-N 2 2 397.317 1.751 20 0 GDADLP COc1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644636150 653599832 /nfs/dbraw/zinc/59/98/32/653599832.db2.gz YAIRWEAEQQGSGT-CYBMUJFWSA-N 2 2 397.317 1.751 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1Br ZINC000662492104 654297063 /nfs/dbraw/zinc/29/70/63/654297063.db2.gz QGTPHICXGJIDJZ-XJKSGUPXSA-N 2 2 382.302 1.630 20 0 GDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662494068 654297132 /nfs/dbraw/zinc/29/71/32/654297132.db2.gz VQXRIECLHLZYGQ-PBHICJAKSA-N 2 2 397.361 1.839 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000742718268 654709186 /nfs/dbraw/zinc/70/91/86/654709186.db2.gz NMJSKMXLMZTGTN-JSGCOSHPSA-N 2 2 385.921 1.827 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc(F)ccc3Br)C2)CC1 ZINC000847486391 655470168 /nfs/dbraw/zinc/47/01/68/655470168.db2.gz URLKZQSYLYVBQH-LLVKDONJSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc(F)ccc3Br)C2)CC1 ZINC000847486391 655470170 /nfs/dbraw/zinc/47/01/70/655470170.db2.gz URLKZQSYLYVBQH-LLVKDONJSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000855417927 655693904 /nfs/dbraw/zinc/69/39/04/655693904.db2.gz ROBUGORZKYDVSD-UHFFFAOYSA-N 2 2 386.338 1.595 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1c(Br)nc2n1CCCC2 ZINC000855417927 655693905 /nfs/dbraw/zinc/69/39/05/655693905.db2.gz ROBUGORZKYDVSD-UHFFFAOYSA-N 2 2 386.338 1.595 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cccc(Br)c1 ZINC000870894357 656253751 /nfs/dbraw/zinc/25/37/51/656253751.db2.gz QILNRZFSMDXFDA-CJNGLKHVSA-N 2 2 382.302 1.630 20 0 GDADLP [NH3+][C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000870945685 656258340 /nfs/dbraw/zinc/25/83/40/656258340.db2.gz MIYRHQDJOPMGEU-OFLPRAFFSA-N 2 2 395.345 1.782 20 0 GDADLP [NH3+][C@@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000870945685 656258344 /nfs/dbraw/zinc/25/83/44/656258344.db2.gz MIYRHQDJOPMGEU-OFLPRAFFSA-N 2 2 395.345 1.782 20 0 GDADLP CCn1ncc(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Br ZINC000874257239 656455912 /nfs/dbraw/zinc/45/59/12/656455912.db2.gz UWLSBLNEYSBLSV-UHFFFAOYSA-N 2 2 398.349 1.954 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H]1C ZINC000876904084 656638706 /nfs/dbraw/zinc/63/87/06/656638706.db2.gz SRQRVQUKMPCUFC-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H]1C ZINC000876904084 656638707 /nfs/dbraw/zinc/63/87/07/656638707.db2.gz SRQRVQUKMPCUFC-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1ccccc1Br ZINC000878692240 656742131 /nfs/dbraw/zinc/74/21/31/656742131.db2.gz XVVRKSNBFZPQDU-INIZCTEOSA-N 2 2 384.318 1.625 20 0 GDADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@H](O)c1ccccc1Br ZINC000878692240 656742135 /nfs/dbraw/zinc/74/21/35/656742135.db2.gz XVVRKSNBFZPQDU-INIZCTEOSA-N 2 2 384.318 1.625 20 0 GDADLP C[C@](O)(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000930168333 657005216 /nfs/dbraw/zinc/00/52/16/657005216.db2.gz NUUTZMBVXQADPA-LBPRGKRZSA-N 2 2 376.366 1.094 20 0 GDADLP Cn1nc(Br)cc1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372233 657284098 /nfs/dbraw/zinc/28/40/98/657284098.db2.gz RXVMYCBGBZDNBF-CQSZACIVSA-N 2 2 386.338 1.069 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000884230424 657337484 /nfs/dbraw/zinc/33/74/84/657337484.db2.gz RFCPBXRDNALIHC-XJKSGUPXSA-N 2 2 382.302 1.630 20 0 GDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164683704 719734033 /nfs/dbraw/zinc/73/40/33/719734033.db2.gz CSPGNKHOFBYIAJ-AATRIKPKSA-N 2 2 386.496 1.757 20 0 GDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cc(C)cc1/C=C/C(=O)OC)CC2 ZINC001164683704 719734048 /nfs/dbraw/zinc/73/40/48/719734048.db2.gz CSPGNKHOFBYIAJ-AATRIKPKSA-N 2 2 386.496 1.757 20 0 GDADLP Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(c1[nH+]ccc3[nH]ccc31)C2 ZINC001164827650 720432136 /nfs/dbraw/zinc/43/21/36/720432136.db2.gz UWBCWPWOXPPYMR-INIZCTEOSA-N 2 2 396.495 1.749 20 0 GDADLP Cc1ccc(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)[nH+]c1C ZINC001164824696 720445660 /nfs/dbraw/zinc/44/56/60/720445660.db2.gz PPFHTVLMRSGXEC-GOSISDBHSA-N 2 2 385.512 1.885 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849410 720830699 /nfs/dbraw/zinc/83/06/99/720830699.db2.gz POEDAJIJJGRYAT-ZWKOTPCHSA-N 2 2 375.517 1.780 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849410 720830701 /nfs/dbraw/zinc/83/07/01/720830701.db2.gz POEDAJIJJGRYAT-ZWKOTPCHSA-N 2 2 375.517 1.780 20 0 GDADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@@H+](CC(=O)N(C)C)C4)c12 ZINC001164871847 721261233 /nfs/dbraw/zinc/26/12/33/721261233.db2.gz ALXQKCSPBYSKAJ-UHFFFAOYSA-N 2 2 386.500 1.273 20 0 GDADLP Cc1c[nH]c2nc[nH+]c(N3CCC4(CC3)COCC[N@H+](CC(=O)N(C)C)C4)c12 ZINC001164871847 721261239 /nfs/dbraw/zinc/26/12/39/721261239.db2.gz ALXQKCSPBYSKAJ-UHFFFAOYSA-N 2 2 386.500 1.273 20 0 GDADLP Cc1noc(C[C@@H]2C[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3O2)n1 ZINC001164957843 722041438 /nfs/dbraw/zinc/04/14/38/722041438.db2.gz CIPXCNQKJLMFGJ-IXDOHACOSA-N 2 2 384.484 1.361 20 0 GDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295279 946159427 /nfs/dbraw/zinc/15/94/27/946159427.db2.gz RSGMKSUJXDWCNB-HIFRSBDPSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295279 946159433 /nfs/dbraw/zinc/15/94/33/946159433.db2.gz RSGMKSUJXDWCNB-HIFRSBDPSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295279 946159438 /nfs/dbraw/zinc/15/94/38/946159438.db2.gz RSGMKSUJXDWCNB-HIFRSBDPSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295279 946159445 /nfs/dbraw/zinc/15/94/45/946159445.db2.gz RSGMKSUJXDWCNB-HIFRSBDPSA-N 2 2 389.529 1.492 20 0 GDADLP O=C1OCC[C@@H]1CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823551328 946444737 /nfs/dbraw/zinc/44/47/37/946444737.db2.gz MZNDUODWLKOKLL-AWEZNQCLSA-N 2 2 393.451 1.490 20 0 GDADLP CC(C)(C)N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824094387 946584809 /nfs/dbraw/zinc/58/48/09/946584809.db2.gz SIUHFHZKTYYBHE-SFHVURJKSA-N 2 2 397.527 1.820 20 0 GDADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626065 946870413 /nfs/dbraw/zinc/87/04/13/946870413.db2.gz LRLLQAMQVLOTJM-OAHLLOKOSA-N 2 2 378.484 1.864 20 0 GDADLP C[C@@H]1CN(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824984670 947021451 /nfs/dbraw/zinc/02/14/51/947021451.db2.gz LZDUYOSXSPTKJM-MRXNPFEDSA-N 2 2 385.516 1.141 20 0 GDADLP C[C@H]1COCCN1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825007221 947042833 /nfs/dbraw/zinc/04/28/33/947042833.db2.gz XOJYPKRADDEYQW-INIZCTEOSA-N 2 2 385.516 1.141 20 0 GDADLP Cc1noc(CCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)n1 ZINC000826339787 947976138 /nfs/dbraw/zinc/97/61/38/947976138.db2.gz TYSKKSUIKPUWKP-UHFFFAOYSA-N 2 2 382.472 1.745 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918244 948839534 /nfs/dbraw/zinc/83/95/34/948839534.db2.gz HRQVYIJVGKBLIV-CYBMUJFWSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574918244 948839557 /nfs/dbraw/zinc/83/95/57/948839557.db2.gz HRQVYIJVGKBLIV-CYBMUJFWSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@H](CC(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574476236 949593757 /nfs/dbraw/zinc/59/37/57/949593757.db2.gz FMXPIFBADXUNDG-ZIAGYGMSSA-N 2 2 381.444 1.147 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575282425 949831783 /nfs/dbraw/zinc/83/17/83/949831783.db2.gz BLEZAPIFFAGEBP-HUUCEWRRSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574725052 949887682 /nfs/dbraw/zinc/88/76/82/949887682.db2.gz OFYAFKBNSOXGLW-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491177 950023758 /nfs/dbraw/zinc/02/37/58/950023758.db2.gz ANRPWNIVJLLMFF-GDBMZVCRSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491177 950023778 /nfs/dbraw/zinc/02/37/78/950023778.db2.gz ANRPWNIVJLLMFF-GDBMZVCRSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493015 950112231 /nfs/dbraw/zinc/11/22/31/950112231.db2.gz QRNQJIGCYAQWHD-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493015 950112244 /nfs/dbraw/zinc/11/22/44/950112244.db2.gz QRNQJIGCYAQWHD-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575900242 950190729 /nfs/dbraw/zinc/19/07/29/950190729.db2.gz COZVMALXYIDPNS-ZBEGNZNMSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193366 950296067 /nfs/dbraw/zinc/29/60/67/950296067.db2.gz UBWUZPOQRNJAKB-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193366 950296086 /nfs/dbraw/zinc/29/60/86/950296086.db2.gz UBWUZPOQRNJAKB-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193366 950296105 /nfs/dbraw/zinc/29/61/05/950296105.db2.gz UBWUZPOQRNJAKB-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193366 950296123 /nfs/dbraw/zinc/29/61/23/950296123.db2.gz UBWUZPOQRNJAKB-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501484 950337567 /nfs/dbraw/zinc/33/75/67/950337567.db2.gz DRMXZHBVCXHTAW-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501484 950337589 /nfs/dbraw/zinc/33/75/89/950337589.db2.gz DRMXZHBVCXHTAW-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575908868 950381090 /nfs/dbraw/zinc/38/10/90/950381090.db2.gz WOBLBCVZWUHFTH-GXTWGEPZSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204973 950489122 /nfs/dbraw/zinc/48/91/22/950489122.db2.gz TTZJSKAKVVGSKU-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204973 950489128 /nfs/dbraw/zinc/48/91/28/950489128.db2.gz TTZJSKAKVVGSKU-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204973 950489136 /nfs/dbraw/zinc/48/91/36/950489136.db2.gz TTZJSKAKVVGSKU-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204973 950489145 /nfs/dbraw/zinc/48/91/45/950489145.db2.gz TTZJSKAKVVGSKU-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205826 950544032 /nfs/dbraw/zinc/54/40/32/950544032.db2.gz PZPJLNVMGRBAEJ-AWEZNQCLSA-N 2 2 391.545 1.597 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205826 950544046 /nfs/dbraw/zinc/54/40/46/950544046.db2.gz PZPJLNVMGRBAEJ-AWEZNQCLSA-N 2 2 391.545 1.597 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206313 950570211 /nfs/dbraw/zinc/57/02/11/950570211.db2.gz WFRJZNUTMQNPHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206313 950570233 /nfs/dbraw/zinc/57/02/33/950570233.db2.gz WFRJZNUTMQNPHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206313 950570253 /nfs/dbraw/zinc/57/02/53/950570253.db2.gz WFRJZNUTMQNPHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206313 950570274 /nfs/dbraw/zinc/57/02/74/950570274.db2.gz WFRJZNUTMQNPHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574521762 950782195 /nfs/dbraw/zinc/78/21/95/950782195.db2.gz HMBNKLHDXVIHFH-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001574771577 950926265 /nfs/dbraw/zinc/92/62/65/950926265.db2.gz GTJIIOPXPHWEOR-ZDUSSCGKSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[NH+]1CCCC1 ZINC001574771577 950926282 /nfs/dbraw/zinc/92/62/82/950926282.db2.gz GTJIIOPXPHWEOR-ZDUSSCGKSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575107171 951914877 /nfs/dbraw/zinc/91/48/77/951914877.db2.gz ALYINPPHODRVHX-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575200845 952499631 /nfs/dbraw/zinc/49/96/31/952499631.db2.gz LXWDRZKCLWMOEP-DAXOMENPSA-N 2 2 380.456 1.205 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201525 952505004 /nfs/dbraw/zinc/50/50/04/952505004.db2.gz IMJPNSAKRBCDRJ-CJNGLKHVSA-N 2 2 380.456 1.159 20 0 GDADLP C[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000162604833 530569427 /nfs/dbraw/zinc/56/94/27/530569427.db2.gz GTOMODGOSPKFID-AWEZNQCLSA-N 2 2 398.305 1.062 20 0 GDADLP C[N@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000162604833 530569430 /nfs/dbraw/zinc/56/94/30/530569430.db2.gz GTOMODGOSPKFID-AWEZNQCLSA-N 2 2 398.305 1.062 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)NCc2ccc(O)c(Br)c2)CC1 ZINC000126205395 531015767 /nfs/dbraw/zinc/01/57/67/531015767.db2.gz QTLDWUFMRZLIEE-UHFFFAOYSA-N 2 2 399.333 1.980 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000261764094 531098677 /nfs/dbraw/zinc/09/86/77/531098677.db2.gz WBFAQBWDFWVRAL-YOEHRIQHSA-N 2 2 395.345 1.606 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC000261792987 531099271 /nfs/dbraw/zinc/09/92/71/531099271.db2.gz NRKDCRFJLUEVSR-MRXNPFEDSA-N 2 2 388.921 1.200 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1Cl ZINC000261792987 531099273 /nfs/dbraw/zinc/09/92/73/531099273.db2.gz NRKDCRFJLUEVSR-MRXNPFEDSA-N 2 2 388.921 1.200 20 0 GDADLP CN1CC[N@H+](C)C[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276732271 531224619 /nfs/dbraw/zinc/22/46/19/531224619.db2.gz QWLAEQNRKUGUBZ-QGZVFWFLSA-N 2 2 397.361 1.621 20 0 GDADLP CN1CC[N@@H+](C)C[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276732271 531224624 /nfs/dbraw/zinc/22/46/24/531224624.db2.gz QWLAEQNRKUGUBZ-QGZVFWFLSA-N 2 2 397.361 1.621 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000658428186 531511055 /nfs/dbraw/zinc/51/10/55/531511055.db2.gz SKKZLVWXLVZCED-UHFFFAOYSA-N 2 2 376.835 1.556 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(F)c(F)cc1Cl ZINC000658428186 531511059 /nfs/dbraw/zinc/51/10/59/531511059.db2.gz SKKZLVWXLVZCED-UHFFFAOYSA-N 2 2 376.835 1.556 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH+]2CCN(c3cccc(Br)c3)CC2)CC1 ZINC000560169465 531628324 /nfs/dbraw/zinc/62/83/24/531628324.db2.gz ZXFBNIWNSLZOQR-UHFFFAOYSA-N 2 2 381.318 1.345 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000567987024 531906488 /nfs/dbraw/zinc/90/64/88/531906488.db2.gz MVVFLKBGARESJP-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)Cc1cc(Cl)cc(S(N)(=O)=O)c1 ZINC000567987024 531906496 /nfs/dbraw/zinc/90/64/96/531906496.db2.gz MVVFLKBGARESJP-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP CN(CC[N@@H+](C)Cc1cc(Cl)cc(S(N)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000567987024 531906515 /nfs/dbraw/zinc/90/65/15/531906515.db2.gz MVVFLKBGARESJP-UHFFFAOYSA-N 2 2 388.965 1.445 20 0 GDADLP C[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154500 532014224 /nfs/dbraw/zinc/01/42/24/532014224.db2.gz HIWAPCQSZRFFNO-GVDBMIGSSA-N 2 2 387.933 1.335 20 0 GDADLP C[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154500 532014231 /nfs/dbraw/zinc/01/42/31/532014231.db2.gz HIWAPCQSZRFFNO-GVDBMIGSSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154500 532014233 /nfs/dbraw/zinc/01/42/33/532014233.db2.gz HIWAPCQSZRFFNO-GVDBMIGSSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154500 532014239 /nfs/dbraw/zinc/01/42/39/532014239.db2.gz HIWAPCQSZRFFNO-GVDBMIGSSA-N 2 2 387.933 1.335 20 0 GDADLP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000423108182 532072196 /nfs/dbraw/zinc/07/21/96/532072196.db2.gz FOSRKLFQNUXOOO-GDBMZVCRSA-N 2 2 391.896 1.114 20 0 GDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ncc(I)s1 ZINC000286651483 532167115 /nfs/dbraw/zinc/16/71/15/532167115.db2.gz UFCRSBWVFNWGRH-SNVBAGLBSA-N 2 2 380.299 1.473 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CN1CC[NH+]1CCOCC1 ZINC000428862238 532218306 /nfs/dbraw/zinc/21/83/06/532218306.db2.gz MTOCUMFNKXDMJP-GFCCVEGCSA-N 2 2 377.432 1.790 20 0 GDADLP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000430573246 532252045 /nfs/dbraw/zinc/25/20/45/532252045.db2.gz GXQMTJVZEJCIOG-UHFFFAOYSA-N 2 2 388.921 1.247 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632365 532252707 /nfs/dbraw/zinc/25/27/07/532252707.db2.gz XDECQKJXKPOOLP-LBPRGKRZSA-N 2 2 383.290 1.140 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632365 532252711 /nfs/dbraw/zinc/25/27/11/532252711.db2.gz XDECQKJXKPOOLP-LBPRGKRZSA-N 2 2 383.290 1.140 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430627155 532253512 /nfs/dbraw/zinc/25/35/12/532253512.db2.gz MNFOMQDJIGAPDG-UHFFFAOYSA-N 2 2 387.311 1.315 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430627155 532253517 /nfs/dbraw/zinc/25/35/17/532253517.db2.gz MNFOMQDJIGAPDG-UHFFFAOYSA-N 2 2 387.311 1.315 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000430641876 532254221 /nfs/dbraw/zinc/25/42/21/532254221.db2.gz NDBZYOFSMBLPNA-GFCCVEGCSA-N 2 2 388.921 1.342 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC[C@@H]([NH3+])C2)c1 ZINC000430641876 532254226 /nfs/dbraw/zinc/25/42/26/532254226.db2.gz NDBZYOFSMBLPNA-GFCCVEGCSA-N 2 2 388.921 1.342 20 0 GDADLP C[C@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@H]1[NH3+] ZINC000430972032 532258594 /nfs/dbraw/zinc/25/85/94/532258594.db2.gz RASPKKUXFPPCHJ-SWLSCSKDSA-N 2 2 386.327 1.706 20 0 GDADLP C[C@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@H]1[NH3+] ZINC000430972032 532258599 /nfs/dbraw/zinc/25/85/99/532258599.db2.gz RASPKKUXFPPCHJ-SWLSCSKDSA-N 2 2 386.327 1.706 20 0 GDADLP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1cccc(Br)c1 ZINC000378532392 532290321 /nfs/dbraw/zinc/29/03/21/532290321.db2.gz LCYKYDHQFGYWSA-QGZVFWFLSA-N 2 2 399.329 1.642 20 0 GDADLP CC[C@@H](CO)[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000820908724 599086990 /nfs/dbraw/zinc/08/69/90/599086990.db2.gz PRFJRIYYXMPGJL-HNNXBMFYSA-N 2 2 381.484 1.925 20 0 GDADLP CC[NH+]1CCC([NH2+][C@@H](C)C(=O)Nc2ccc(-c3nn[nH]n3)c(Cl)c2)CC1 ZINC000736569389 599287015 /nfs/dbraw/zinc/28/70/15/599287015.db2.gz HKCGRNVKGAHPNX-NSHDSACASA-N 2 2 377.880 1.921 20 0 GDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000735882678 598344848 /nfs/dbraw/zinc/34/48/48/598344848.db2.gz RSTSXJVBARXHQA-GOSISDBHSA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccccc3-c3nn[nH]n3)CC2)C1 ZINC000735882678 598344850 /nfs/dbraw/zinc/34/48/50/598344850.db2.gz RSTSXJVBARXHQA-GOSISDBHSA-N 2 2 385.516 1.094 20 0 GDADLP C[N@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736820546 598349695 /nfs/dbraw/zinc/34/96/95/598349695.db2.gz XTIBNTKEMRKHPK-UHFFFAOYSA-N 2 2 384.463 1.799 20 0 GDADLP C[N@@H+](Cc1ccc(F)cc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736820546 598349698 /nfs/dbraw/zinc/34/96/98/598349698.db2.gz XTIBNTKEMRKHPK-UHFFFAOYSA-N 2 2 384.463 1.799 20 0 GDADLP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736141672 598365879 /nfs/dbraw/zinc/36/58/79/598365879.db2.gz AOIQFERRPCXZBG-GFCCVEGCSA-N 2 2 393.517 1.034 20 0 GDADLP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736141672 598365881 /nfs/dbraw/zinc/36/58/81/598365881.db2.gz AOIQFERRPCXZBG-GFCCVEGCSA-N 2 2 393.517 1.034 20 0 GDADLP c1cn(-c2ccc(C[NH2+]C[C@H]3CNc4c(-c5nn[nH]n5)cnn4C3)cc2)c[nH+]1 ZINC000738445140 598526890 /nfs/dbraw/zinc/52/68/90/598526890.db2.gz CYOMOLZQUTWCIM-AWEZNQCLSA-N 2 2 376.428 1.080 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=S)Nc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736850828 598761955 /nfs/dbraw/zinc/76/19/55/598761955.db2.gz CIFZBCVRPBVJRW-ZDUSSCGKSA-N 2 2 386.529 1.322 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=S)Nc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736850828 598761956 /nfs/dbraw/zinc/76/19/56/598761956.db2.gz CIFZBCVRPBVJRW-ZDUSSCGKSA-N 2 2 386.529 1.322 20 0 GDADLP C[C@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820420315 599461584 /nfs/dbraw/zinc/46/15/84/599461584.db2.gz OZOQGCSFXYLTFX-UONOGXRCSA-N 2 2 390.455 1.641 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000823798811 599475380 /nfs/dbraw/zinc/47/53/80/599475380.db2.gz YVRHOMVUVBEMEW-OAHLLOKOSA-N 2 2 379.468 1.892 20 0 GDADLP Cc1cc(F)cc2c1ncc(-c1nn[nH]n1)c2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000822204172 606403562 /nfs/dbraw/zinc/40/35/62/606403562.db2.gz HACACDWWBXKSID-UHFFFAOYSA-N 2 2 398.490 1.722 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716746 607098013 /nfs/dbraw/zinc/09/80/13/607098013.db2.gz KUMOHJJLDKYCTI-JKIFEVAISA-N 2 2 380.456 1.973 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716746 607098015 /nfs/dbraw/zinc/09/80/15/607098015.db2.gz KUMOHJJLDKYCTI-JKIFEVAISA-N 2 2 380.456 1.973 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000823791810 607174968 /nfs/dbraw/zinc/17/49/68/607174968.db2.gz IUTPHMWIMAPLDV-OAHLLOKOSA-N 2 2 379.468 1.964 20 0 GDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824909854 608654053 /nfs/dbraw/zinc/65/40/53/608654053.db2.gz VKQGODRSHZGOCN-GJZGRUSLSA-N 2 2 375.546 1.919 20 0 GDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)o3)CC2)CC1 ZINC000825458274 608682408 /nfs/dbraw/zinc/68/24/08/608682408.db2.gz BLWDRYHFXFFYRZ-UHFFFAOYSA-N 2 2 387.488 1.226 20 0 GDADLP c1cc(-c2nn[nH]n2)cc(C2([NH2+]C3CCN(CC[NH+]4CCOCC4)CC3)CC2)c1 ZINC000826513254 609250918 /nfs/dbraw/zinc/25/09/18/609250918.db2.gz FXVTXOAWNDWKPZ-UHFFFAOYSA-N 2 2 397.527 1.242 20 0 GDADLP O=C1[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476598 609417849 /nfs/dbraw/zinc/41/78/49/609417849.db2.gz KYFKYJGFLLMVEP-NVXWUHKLSA-N 2 2 392.467 1.726 20 0 GDADLP [NH3+]CC1(O)CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CC1 ZINC000566209252 650835080 /nfs/dbraw/zinc/83/50/80/650835080.db2.gz QYXXQGLEMPNLIR-MRXNPFEDSA-N 2 2 396.329 1.898 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000268942118 645162360 /nfs/dbraw/zinc/16/23/60/645162360.db2.gz AIUUGVHOIIUJEJ-IAGOWNOFSA-N 2 2 396.329 1.721 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000268942118 645162366 /nfs/dbraw/zinc/16/23/66/645162366.db2.gz AIUUGVHOIIUJEJ-IAGOWNOFSA-N 2 2 396.329 1.721 20 0 GDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000420357823 645941497 /nfs/dbraw/zinc/94/14/97/645941497.db2.gz HVABPCBMEZHDNG-AWEZNQCLSA-N 2 2 397.317 1.482 20 0 GDADLP O=S(=O)(NCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000423095080 646112202 /nfs/dbraw/zinc/11/22/02/646112202.db2.gz DDGZIYYSAIIVHV-NVXWUHKLSA-N 2 2 387.933 1.365 20 0 GDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000499929274 648095848 /nfs/dbraw/zinc/09/58/48/648095848.db2.gz YXPBDRCCJFJPHN-OAHLLOKOSA-N 2 2 387.571 1.640 20 0 GDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000499929274 648095849 /nfs/dbraw/zinc/09/58/49/648095849.db2.gz YXPBDRCCJFJPHN-OAHLLOKOSA-N 2 2 387.571 1.640 20 0 GDADLP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cc(Br)c3c(c2)OCCCO3)n1 ZINC000629654458 653180584 /nfs/dbraw/zinc/18/05/84/653180584.db2.gz XNFWVIPMPRYSDN-UHFFFAOYSA-N 2 2 395.257 1.855 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+](C)CCC[NH3+] ZINC000647849037 653636094 /nfs/dbraw/zinc/63/60/94/653636094.db2.gz FGKRPEQLMWZGEN-LLVKDONJSA-N 2 2 376.910 1.198 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+](C)CCC[NH3+] ZINC000647849037 653636095 /nfs/dbraw/zinc/63/60/95/653636095.db2.gz FGKRPEQLMWZGEN-LLVKDONJSA-N 2 2 376.910 1.198 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000662479407 654295894 /nfs/dbraw/zinc/29/58/94/654295894.db2.gz HWFNXUFDAZWCMB-IAGOWNOFSA-N 2 2 397.361 1.837 20 0 GDADLP COc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1S(=O)(=O)C(F)F ZINC000817979858 655363197 /nfs/dbraw/zinc/36/31/97/655363197.db2.gz FKXBPVYVMBCSDQ-AAEUAGOBSA-N 2 2 378.441 1.721 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cnn2cccc(Br)c12 ZINC000824958261 655482784 /nfs/dbraw/zinc/48/27/84/655482784.db2.gz UDRRRUAMLJLMPU-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cnn2cccc(Br)c12 ZINC000824958261 655482785 /nfs/dbraw/zinc/48/27/85/655482785.db2.gz UDRRRUAMLJLMPU-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873275043 656390130 /nfs/dbraw/zinc/39/01/30/656390130.db2.gz BOQISSYJYNTSAT-RAIGVLPGSA-N 2 2 390.269 1.271 20 0 GDADLP CCn1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874462190 656472269 /nfs/dbraw/zinc/47/22/69/656472269.db2.gz HAGJTHSDDOGBFG-LBPRGKRZSA-N 2 2 384.322 1.564 20 0 GDADLP CCn1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874462190 656472271 /nfs/dbraw/zinc/47/22/71/656472271.db2.gz HAGJTHSDDOGBFG-LBPRGKRZSA-N 2 2 384.322 1.564 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(N)nc(Br)c1 ZINC000874468153 656473214 /nfs/dbraw/zinc/47/32/14/656473214.db2.gz DUDURNBMLKYDFX-UHFFFAOYSA-N 2 2 384.322 1.524 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(N)nc(Br)c1 ZINC000874468153 656473216 /nfs/dbraw/zinc/47/32/16/656473216.db2.gz DUDURNBMLKYDFX-UHFFFAOYSA-N 2 2 384.322 1.524 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000876755014 656628467 /nfs/dbraw/zinc/62/84/67/656628467.db2.gz XBFAOVLGUVCANG-XHSDSOJGSA-N 2 2 382.302 1.507 20 0 GDADLP Cn1cc(Br)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1=O ZINC000932621583 657203514 /nfs/dbraw/zinc/20/35/14/657203514.db2.gz MGYCTDMLGVGHKO-GFCCVEGCSA-N 2 2 397.317 1.046 20 0 GDADLP Cn1cc(Br)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1=O ZINC000932621583 657203520 /nfs/dbraw/zinc/20/35/20/657203520.db2.gz MGYCTDMLGVGHKO-GFCCVEGCSA-N 2 2 397.317 1.046 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(Cc3nc(Br)nn3C)CC2)CC1 ZINC000895033836 658651027 /nfs/dbraw/zinc/65/10/27/658651027.db2.gz LFLNGVLQGACPPK-UHFFFAOYSA-N 2 2 385.354 1.570 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(Cc3nc(Br)nn3C)CC2)CC1 ZINC000895033836 658651033 /nfs/dbraw/zinc/65/10/33/658651033.db2.gz LFLNGVLQGACPPK-UHFFFAOYSA-N 2 2 385.354 1.570 20 0 GDADLP CCn1c(Br)ncc1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000900446066 659108355 /nfs/dbraw/zinc/10/83/55/659108355.db2.gz MMFMJNQUNLMYBO-UHFFFAOYSA-N 2 2 398.349 1.954 20 0 GDADLP CC(C)N(C)C(=O)c1noc2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CC2 ZINC001164693678 719786416 /nfs/dbraw/zinc/78/64/16/719786416.db2.gz CSFVDYPDHXTESQ-UHFFFAOYSA-N 2 2 398.511 1.865 20 0 GDADLP Cc1ccc(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)[nH+]c1C ZINC001164824698 720446034 /nfs/dbraw/zinc/44/60/34/720446034.db2.gz PPFHTVLMRSGXEC-SFHVURJKSA-N 2 2 385.512 1.885 20 0 GDADLP c1nc2n(c1C[NH+]1CCCC1)CCN(c1cc[nH+]c(N3CCOCC3)n1)CC2 ZINC001164727108 720572068 /nfs/dbraw/zinc/57/20/68/720572068.db2.gz BGKMYXZVMLPEFS-UHFFFAOYSA-N 2 2 383.500 1.168 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1 ZINC001164854097 720864543 /nfs/dbraw/zinc/86/45/43/720864543.db2.gz JDDWOHVFCZUMNK-RTBURBONSA-N 3 2 389.544 1.007 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@@H]2C1 ZINC001164854097 720864547 /nfs/dbraw/zinc/86/45/47/720864547.db2.gz JDDWOHVFCZUMNK-RTBURBONSA-N 3 2 389.544 1.007 20 0 GDADLP Cc1ccc(N2CCO[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]32)nn1 ZINC001164775191 721311583 /nfs/dbraw/zinc/31/15/83/721311583.db2.gz AVKSXRWEDCQYEA-ROUUACIJSA-N 2 2 395.511 1.026 20 0 GDADLP C[NH+]1CCN(c2nccc(N3CC[NH+](CCOc4ccccc4)CC3)n2)CC1 ZINC001165044335 721960871 /nfs/dbraw/zinc/96/08/71/721960871.db2.gz ICCXJXUWGRAKGO-UHFFFAOYSA-N 2 2 382.512 1.429 20 0 GDADLP CN1c2ccccc2[C@@]2(CCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)C2)C1=O ZINC001164980554 722162272 /nfs/dbraw/zinc/16/22/72/722162272.db2.gz NDGWGEWQZNOQRB-QFIPXVFZSA-N 2 2 377.492 1.958 20 0 GDADLP Cc1[nH+]ccn1CC(=O)NC1CC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571271935 945654940 /nfs/dbraw/zinc/65/49/40/945654940.db2.gz MVFFZKQFIWQWAU-UHFFFAOYSA-N 2 2 386.485 1.118 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294481 946135469 /nfs/dbraw/zinc/13/54/69/946135469.db2.gz HJFQIESLHLQBPP-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294481 946135487 /nfs/dbraw/zinc/13/54/87/946135487.db2.gz HJFQIESLHLQBPP-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294481 946135496 /nfs/dbraw/zinc/13/54/96/946135496.db2.gz HJFQIESLHLQBPP-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294481 946135503 /nfs/dbraw/zinc/13/55/03/946135503.db2.gz HJFQIESLHLQBPP-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571316554 946579546 /nfs/dbraw/zinc/57/95/46/946579546.db2.gz GDHRIPOHSOKACP-YALNPMBYSA-N 2 2 392.467 1.141 20 0 GDADLP CC(C)(C)N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824094386 946583435 /nfs/dbraw/zinc/58/34/35/946583435.db2.gz SIUHFHZKTYYBHE-GOSISDBHSA-N 2 2 397.527 1.820 20 0 GDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CC1 ZINC000824300773 946649145 /nfs/dbraw/zinc/64/91/45/946649145.db2.gz KPKLGGPYGYVVIE-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP Cn1cc(C[N@H+](C)CCCn2cc[nH+]c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825938342 947377144 /nfs/dbraw/zinc/37/71/44/947377144.db2.gz PQKATLWUTDBABN-UHFFFAOYSA-N 2 2 377.456 1.986 20 0 GDADLP Cn1cc(C[N@@H+](C)CCCn2cc[nH+]c2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825938342 947377154 /nfs/dbraw/zinc/37/71/54/947377154.db2.gz PQKATLWUTDBABN-UHFFFAOYSA-N 2 2 377.456 1.986 20 0 GDADLP Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826329157 947958443 /nfs/dbraw/zinc/95/84/43/947958443.db2.gz RXOMRIZZCYVSHI-SFHVURJKSA-N 2 2 393.499 1.336 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921431 948925161 /nfs/dbraw/zinc/92/51/61/948925161.db2.gz XFMBEPSCNQTBJD-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921431 948925175 /nfs/dbraw/zinc/92/51/75/948925175.db2.gz XFMBEPSCNQTBJD-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C)N(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574433637 948961237 /nfs/dbraw/zinc/96/12/37/948961237.db2.gz ZNGUVXOYBOVNCX-ZDUSSCGKSA-N 2 2 383.460 1.223 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264363 949426827 /nfs/dbraw/zinc/42/68/27/949426827.db2.gz NVYRJWKQPAFHIA-IUODEOHRSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264363 949426838 /nfs/dbraw/zinc/42/68/38/949426838.db2.gz NVYRJWKQPAFHIA-IUODEOHRSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872014 949527569 /nfs/dbraw/zinc/52/75/69/949527569.db2.gz FDQNDXMZMUBJKU-DZGCQCFKSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872016 949527966 /nfs/dbraw/zinc/52/79/66/949527966.db2.gz FDQNDXMZMUBJKU-UKRRQHHQSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575880562 949705676 /nfs/dbraw/zinc/70/56/76/949705676.db2.gz ULHQMQZTXQVJGX-HIFRSBDPSA-N 2 2 381.444 1.022 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574725579 949899087 /nfs/dbraw/zinc/89/90/87/949899087.db2.gz SSNALZSABXHIAE-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204665 950466923 /nfs/dbraw/zinc/46/69/23/950466923.db2.gz RBTKOWPLXIJTDI-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204665 950466932 /nfs/dbraw/zinc/46/69/32/950466932.db2.gz RBTKOWPLXIJTDI-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204665 950466945 /nfs/dbraw/zinc/46/69/45/950466945.db2.gz RBTKOWPLXIJTDI-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204665 950466958 /nfs/dbraw/zinc/46/69/58/950466958.db2.gz RBTKOWPLXIJTDI-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206631 950578485 /nfs/dbraw/zinc/57/84/85/950578485.db2.gz YLONIRSNWWTGCU-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206631 950578509 /nfs/dbraw/zinc/57/85/09/950578509.db2.gz YLONIRSNWWTGCU-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206631 950578528 /nfs/dbraw/zinc/57/85/28/950578528.db2.gz YLONIRSNWWTGCU-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206631 950578542 /nfs/dbraw/zinc/57/85/42/950578542.db2.gz YLONIRSNWWTGCU-KGLIPLIRSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574522199 950794687 /nfs/dbraw/zinc/79/46/87/950794687.db2.gz JJCPAFFJJIOUDE-STQMWFEESA-N 2 2 386.435 1.275 20 0 GDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001571172264 952803794 /nfs/dbraw/zinc/80/37/94/952803794.db2.gz REAWAXUMJRHGDQ-SHTZXODSSA-N 2 2 380.456 1.350 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251833 953320957 /nfs/dbraw/zinc/32/09/57/953320957.db2.gz AVUCFHQWVIOELX-CVEARBPZSA-N 2 2 384.488 1.077 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251833 953320963 /nfs/dbraw/zinc/32/09/63/953320963.db2.gz AVUCFHQWVIOELX-CVEARBPZSA-N 2 2 384.488 1.077 20 0 GDADLP C[N@@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000133593954 531093817 /nfs/dbraw/zinc/09/38/17/531093817.db2.gz UVSBJLHHACXDEQ-QGZVFWFLSA-N 2 2 396.329 1.860 20 0 GDADLP C[N@H+]1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000133593954 531093821 /nfs/dbraw/zinc/09/38/21/531093821.db2.gz UVSBJLHHACXDEQ-QGZVFWFLSA-N 2 2 396.329 1.860 20 0 GDADLP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1[NH+]1CCOCC1 ZINC000261756066 531097856 /nfs/dbraw/zinc/09/78/56/531097856.db2.gz JKWBKJAUQOJMNK-SKDZVZGDSA-N 2 2 396.329 1.802 20 0 GDADLP O=C(C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1cccc(I)c1 ZINC000261825575 531100044 /nfs/dbraw/zinc/10/00/44/531100044.db2.gz UHFCBGXLGLPJGI-HNNXBMFYSA-N 2 2 385.249 1.915 20 0 GDADLP O=C(C[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1cccc(I)c1 ZINC000261825575 531100048 /nfs/dbraw/zinc/10/00/48/531100048.db2.gz UHFCBGXLGLPJGI-HNNXBMFYSA-N 2 2 385.249 1.915 20 0 GDADLP C[C@@]([NH3+])(C(=O)NCC[N@@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000261879876 531101267 /nfs/dbraw/zinc/10/12/67/531101267.db2.gz YZEIOFLIQJHUET-KRWDZBQOSA-N 2 2 384.318 1.850 20 0 GDADLP C[C@@]([NH3+])(C(=O)NCC[N@H+]1CCOCC1(C)C)c1ccc(Br)cc1 ZINC000261879876 531101269 /nfs/dbraw/zinc/10/12/69/531101269.db2.gz YZEIOFLIQJHUET-KRWDZBQOSA-N 2 2 384.318 1.850 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000246760956 531069472 /nfs/dbraw/zinc/06/94/72/531069472.db2.gz OVTLLAIEFIBIJD-QZTJIDSGSA-N 2 2 375.579 1.622 20 0 GDADLP CCOCCS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000246760956 531069474 /nfs/dbraw/zinc/06/94/74/531069474.db2.gz OVTLLAIEFIBIJD-QZTJIDSGSA-N 2 2 375.579 1.622 20 0 GDADLP C[C@@H](C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[NH+]1CCSCC1 ZINC000151706116 531141866 /nfs/dbraw/zinc/14/18/66/531141866.db2.gz CNGHMVFHCRUZJV-AWEZNQCLSA-N 2 2 383.480 1.537 20 0 GDADLP CN1CC[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000414977616 531464234 /nfs/dbraw/zinc/46/42/34/531464234.db2.gz QNZPZZQJDXFCJI-MRXNPFEDSA-N 2 2 383.334 1.279 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000658427112 531509528 /nfs/dbraw/zinc/50/95/28/531509528.db2.gz MGXJTNFJVGONGP-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000658427112 531509536 /nfs/dbraw/zinc/50/95/36/531509536.db2.gz MGXJTNFJVGONGP-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@]3(C)CC[NH2+]C3)[nH+]c12 ZINC000612903110 531560037 /nfs/dbraw/zinc/56/00/37/531560037.db2.gz IWCKVLHWXHPQQM-MRXNPFEDSA-N 2 2 380.290 1.999 20 0 GDADLP O=C(NCCCC[NH+]1CCOCC1)c1sc2c(c1Br)C[NH2+]C2 ZINC000662387818 531675184 /nfs/dbraw/zinc/67/51/84/531675184.db2.gz WTORAESNRUNHAU-UHFFFAOYSA-N 2 2 388.331 1.956 20 0 GDADLP C[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000662430171 531678156 /nfs/dbraw/zinc/67/81/56/531678156.db2.gz VKSUODKVEUYAGX-MRXNPFEDSA-N 2 2 381.318 1.764 20 0 GDADLP C[N@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000662430171 531678162 /nfs/dbraw/zinc/67/81/62/531678162.db2.gz VKSUODKVEUYAGX-MRXNPFEDSA-N 2 2 381.318 1.764 20 0 GDADLP CC[N@H+](CCC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639175753 531684039 /nfs/dbraw/zinc/68/40/39/531684039.db2.gz PNAXTNPNUHYPHL-UHFFFAOYSA-N 2 2 378.336 1.870 20 0 GDADLP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639175753 531684050 /nfs/dbraw/zinc/68/40/50/531684050.db2.gz PNAXTNPNUHYPHL-UHFFFAOYSA-N 2 2 378.336 1.870 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662632879 531691091 /nfs/dbraw/zinc/69/10/91/531691091.db2.gz VNJJMRXWGIWCOK-UHFFFAOYSA-N 3 2 389.363 1.727 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662632879 531691099 /nfs/dbraw/zinc/69/10/99/531691099.db2.gz VNJJMRXWGIWCOK-UHFFFAOYSA-N 3 2 389.363 1.727 20 0 GDADLP Cn1cc(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)cc(Br)c1=O ZINC000666331073 531758271 /nfs/dbraw/zinc/75/82/71/531758271.db2.gz HEMHFHRSVQVPEG-UHFFFAOYSA-N 2 2 388.310 1.153 20 0 GDADLP Cn1cc(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc(Br)c1=O ZINC000666331073 531758284 /nfs/dbraw/zinc/75/82/84/531758284.db2.gz HEMHFHRSVQVPEG-UHFFFAOYSA-N 2 2 388.310 1.153 20 0 GDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C[C@@H]12 ZINC000417208258 531758381 /nfs/dbraw/zinc/75/83/81/531758381.db2.gz BMWGKXQIOBJZMX-LERXQTSPSA-N 2 2 378.274 1.976 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417217234 531760014 /nfs/dbraw/zinc/76/00/14/531760014.db2.gz KBJPCSZQPAKWHY-INIZCTEOSA-N 2 2 378.274 1.992 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)CCn3cc(Br)cn3)CC2)CC1 ZINC000622792570 531783099 /nfs/dbraw/zinc/78/30/99/531783099.db2.gz XFKITQZOEJSJHW-UHFFFAOYSA-N 2 2 398.349 1.711 20 0 GDADLP C[N@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000563010266 531796938 /nfs/dbraw/zinc/79/69/38/531796938.db2.gz DMGOYJNOVMPJLM-LBPRGKRZSA-N 2 2 396.340 1.316 20 0 GDADLP C[N@@H+](C[C@@H](O)C[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl)C1CC1 ZINC000563010266 531796945 /nfs/dbraw/zinc/79/69/45/531796945.db2.gz DMGOYJNOVMPJLM-LBPRGKRZSA-N 2 2 396.340 1.316 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000567989813 531906743 /nfs/dbraw/zinc/90/67/43/531906743.db2.gz QMUFDUFKLPOZAX-INIZCTEOSA-N 2 2 389.949 1.920 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(Cl)cc(S(N)(=O)=O)c2)C1 ZINC000567989813 531906750 /nfs/dbraw/zinc/90/67/50/531906750.db2.gz QMUFDUFKLPOZAX-INIZCTEOSA-N 2 2 389.949 1.920 20 0 GDADLP COCC[NH2+]C1CC[NH+](Cc2cc(=O)n3cc(Br)ccc3n2)CC1 ZINC000570851101 531942748 /nfs/dbraw/zinc/94/27/48/531942748.db2.gz CBGXIMQUFVBCOC-UHFFFAOYSA-N 2 2 395.301 1.657 20 0 GDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065782 /nfs/dbraw/zinc/06/57/82/532065782.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 2 399.329 1.950 20 0 GDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065786 /nfs/dbraw/zinc/06/57/86/532065786.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 2 399.329 1.950 20 0 GDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065790 /nfs/dbraw/zinc/06/57/90/532065790.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 2 399.329 1.950 20 0 GDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731021 532065793 /nfs/dbraw/zinc/06/57/93/532065793.db2.gz YPIFASHXBZIXDN-ZACQAIPSSA-N 2 2 399.329 1.950 20 0 GDADLP C[C@@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333393536 532232981 /nfs/dbraw/zinc/23/29/81/532232981.db2.gz XVHMHTCVIQFKOP-NEPJUHHUSA-N 2 2 398.305 1.882 20 0 GDADLP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545386 532251771 /nfs/dbraw/zinc/25/17/71/532251771.db2.gz QBZCACJBWSMSGB-OLZOCXBDSA-N 2 2 397.317 1.563 20 0 GDADLP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545386 532251773 /nfs/dbraw/zinc/25/17/73/532251773.db2.gz QBZCACJBWSMSGB-OLZOCXBDSA-N 2 2 397.317 1.563 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)[nH+]c12 ZINC000333859422 532252607 /nfs/dbraw/zinc/25/26/07/532252607.db2.gz YZVXYMKOMXMFHW-DOMZBBRYSA-N 2 2 392.301 1.951 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430641601 532254273 /nfs/dbraw/zinc/25/42/73/532254273.db2.gz MJFWRJBFWMXSIO-GFCCVEGCSA-N 2 2 383.290 1.140 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430641601 532254278 /nfs/dbraw/zinc/25/42/78/532254278.db2.gz MJFWRJBFWMXSIO-GFCCVEGCSA-N 2 2 383.290 1.140 20 0 GDADLP CN(c1ncc(-c2nn[nH]n2)cc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853300 598942380 /nfs/dbraw/zinc/94/23/80/598942380.db2.gz VJQMPSJMUYXUQS-AWEZNQCLSA-N 2 2 376.896 1.520 20 0 GDADLP CN(c1ncc(-c2nn[nH]n2)cc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853300 598942382 /nfs/dbraw/zinc/94/23/82/598942382.db2.gz VJQMPSJMUYXUQS-AWEZNQCLSA-N 2 2 376.896 1.520 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735652809 599094797 /nfs/dbraw/zinc/09/47/97/599094797.db2.gz SDKSQMHJWHVNKH-WMLDXEAASA-N 2 2 394.483 1.492 20 0 GDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883440 599315348 /nfs/dbraw/zinc/31/53/48/599315348.db2.gz YDVSCWPAJVRPFK-FXAWDEMLSA-N 2 2 399.543 1.655 20 0 GDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883440 599315352 /nfs/dbraw/zinc/31/53/52/599315352.db2.gz YDVSCWPAJVRPFK-FXAWDEMLSA-N 2 2 399.543 1.655 20 0 GDADLP C[C@@H]([NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000820420316 599461856 /nfs/dbraw/zinc/46/18/56/599461856.db2.gz OZOQGCSFXYLTFX-ZIAGYGMSSA-N 2 2 390.455 1.641 20 0 GDADLP COc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1-c1nn[nH]n1 ZINC000826195258 607492078 /nfs/dbraw/zinc/49/20/78/607492078.db2.gz NDGKOKISLYFVIP-CALCHBBNSA-N 2 2 399.543 1.866 20 0 GDADLP COc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1-c1nn[nH]n1 ZINC000826195258 607492080 /nfs/dbraw/zinc/49/20/80/607492080.db2.gz NDGKOKISLYFVIP-CALCHBBNSA-N 2 2 399.543 1.866 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183568 604459407 /nfs/dbraw/zinc/45/94/07/604459407.db2.gz JDQTUHMVLAOTGS-KBUPBQIOSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183568 604459411 /nfs/dbraw/zinc/45/94/11/604459411.db2.gz JDQTUHMVLAOTGS-KBUPBQIOSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183568 604459414 /nfs/dbraw/zinc/45/94/14/604459414.db2.gz JDQTUHMVLAOTGS-KBUPBQIOSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183568 604459416 /nfs/dbraw/zinc/45/94/16/604459416.db2.gz JDQTUHMVLAOTGS-KBUPBQIOSA-N 2 2 376.505 1.964 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000821621665 606541181 /nfs/dbraw/zinc/54/11/81/606541181.db2.gz AYRUFOXYJAYEIM-UHFFFAOYSA-N 2 2 375.502 1.217 20 0 GDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000820722124 607098047 /nfs/dbraw/zinc/09/80/47/607098047.db2.gz FXAZBDZBZNEFNC-ZTFGCOKTSA-N 2 2 392.467 1.752 20 0 GDADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@H]1n1cc[nH+]c1 ZINC000820722124 607098049 /nfs/dbraw/zinc/09/80/49/607098049.db2.gz FXAZBDZBZNEFNC-ZTFGCOKTSA-N 2 2 392.467 1.752 20 0 GDADLP C[C@@H]1C[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824991628 608171131 /nfs/dbraw/zinc/17/11/31/608171131.db2.gz DGOAHAKWKAMMHG-AEFFLSMTSA-N 2 2 394.527 1.577 20 0 GDADLP C[C@@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824991628 608171133 /nfs/dbraw/zinc/17/11/33/608171133.db2.gz DGOAHAKWKAMMHG-AEFFLSMTSA-N 2 2 394.527 1.577 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)ccc1Cl ZINC000076993850 644588129 /nfs/dbraw/zinc/58/81/29/644588129.db2.gz YGNRBQLIUXTHDP-UHFFFAOYSA-N 2 2 375.922 1.309 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755598 645253921 /nfs/dbraw/zinc/25/39/21/645253921.db2.gz IVKZSDHFWFHIAE-UXLLHSPISA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)COc1ccc(Br)cc1 ZINC000320755598 645253927 /nfs/dbraw/zinc/25/39/27/645253927.db2.gz IVKZSDHFWFHIAE-UXLLHSPISA-N 2 2 385.302 1.642 20 0 GDADLP C[NH+](C)Cc1cnc(C[NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)s1 ZINC000512098728 648397101 /nfs/dbraw/zinc/39/71/01/648397101.db2.gz KRMHYIHJORLZQJ-UHFFFAOYSA-N 2 2 388.946 1.926 20 0 GDADLP C[NH+](C)[C@@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000576469353 651666889 /nfs/dbraw/zinc/66/68/89/651666889.db2.gz POFFWWVERWCTAW-HNNXBMFYSA-N 2 2 387.933 1.226 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000606511096 652775275 /nfs/dbraw/zinc/77/52/75/652775275.db2.gz CLNHQZUGDOZJHR-NSHDSACASA-N 2 2 385.310 1.140 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000606511096 652775281 /nfs/dbraw/zinc/77/52/81/652775281.db2.gz CLNHQZUGDOZJHR-NSHDSACASA-N 2 2 385.310 1.140 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000617764060 652976223 /nfs/dbraw/zinc/97/62/23/652976223.db2.gz HMWJFRIDFIPXCL-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn2ccc(Br)cc2n1 ZINC000617764060 652976226 /nfs/dbraw/zinc/97/62/26/652976226.db2.gz HMWJFRIDFIPXCL-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP Cc1cc(Br)cn2c(C[NH2+]CCC[N@@H+]3CCC[C@H]3C(N)=O)cnc12 ZINC000623619273 653007488 /nfs/dbraw/zinc/00/74/88/653007488.db2.gz ZTZQMUWVBHMMMH-HNNXBMFYSA-N 2 2 394.317 1.835 20 0 GDADLP Cc1cc(Br)cn2c(C[NH2+]CCC[N@H+]3CCC[C@H]3C(N)=O)cnc12 ZINC000623619273 653007492 /nfs/dbraw/zinc/00/74/92/653007492.db2.gz ZTZQMUWVBHMMMH-HNNXBMFYSA-N 2 2 394.317 1.835 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3COCC[NH2+]3)[nH+]c12 ZINC000627012775 653066678 /nfs/dbraw/zinc/06/66/78/653066678.db2.gz FGGVAGQNKMCQLB-CQSZACIVSA-N 2 2 396.289 1.235 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000629606041 653177301 /nfs/dbraw/zinc/17/73/01/653177301.db2.gz MVBSWRNNBRJEQW-HNNXBMFYSA-N 2 2 397.317 1.707 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC(=O)Nc1cccc(Br)c1 ZINC000629606041 653177303 /nfs/dbraw/zinc/17/73/03/653177303.db2.gz MVBSWRNNBRJEQW-HNNXBMFYSA-N 2 2 397.317 1.707 20 0 GDADLP Cc1cc(Br)cn2c(C[NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)cnc12 ZINC000629653517 653180609 /nfs/dbraw/zinc/18/06/09/653180609.db2.gz PGYFZHKDLXSFIE-UHFFFAOYSA-N 2 2 377.246 1.649 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000631928788 653273350 /nfs/dbraw/zinc/27/33/50/653273350.db2.gz NMTMDUNESXYSDI-IRXDYDNUSA-N 2 2 386.949 1.603 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000631928788 653273353 /nfs/dbraw/zinc/27/33/53/653273353.db2.gz NMTMDUNESXYSDI-IRXDYDNUSA-N 2 2 386.949 1.603 20 0 GDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000639768018 653552709 /nfs/dbraw/zinc/55/27/09/653552709.db2.gz XEQWSLQJQPHKKN-WBVHZDCISA-N 2 2 387.318 1.577 20 0 GDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000639768018 653552711 /nfs/dbraw/zinc/55/27/11/653552711.db2.gz XEQWSLQJQPHKKN-WBVHZDCISA-N 2 2 387.318 1.577 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN(CC[NH+](C)C)C(=O)C3)c[nH+]c12 ZINC000651891248 653867416 /nfs/dbraw/zinc/86/74/16/653867416.db2.gz NPIAKMFCWOEAGA-UHFFFAOYSA-N 2 2 394.317 1.611 20 0 GDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480387 654295969 /nfs/dbraw/zinc/29/59/69/654295969.db2.gz RUYULOVDLAPMMQ-CZUORRHYSA-N 2 2 383.334 1.449 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000705329426 654833927 /nfs/dbraw/zinc/83/39/27/654833927.db2.gz VXBGTSZRDXHEKX-KRWDZBQOSA-N 2 2 379.302 1.909 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000705329426 654833930 /nfs/dbraw/zinc/83/39/30/654833930.db2.gz VXBGTSZRDXHEKX-KRWDZBQOSA-N 2 2 379.302 1.909 20 0 GDADLP COc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788216332 654986810 /nfs/dbraw/zinc/98/68/10/654986810.db2.gz QAJUCNRYUJBDNQ-ZDUSSCGKSA-N 2 2 397.317 1.751 20 0 GDADLP COc1cc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788216332 654986812 /nfs/dbraw/zinc/98/68/12/654986812.db2.gz QAJUCNRYUJBDNQ-ZDUSSCGKSA-N 2 2 397.317 1.751 20 0 GDADLP Cn1nc(Br)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058057 655387609 /nfs/dbraw/zinc/38/76/09/655387609.db2.gz OEWYUEWLCIPVPO-GXTWGEPZSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1nc(Br)cc1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843058057 655387611 /nfs/dbraw/zinc/38/76/11/655387611.db2.gz OEWYUEWLCIPVPO-GXTWGEPZSA-N 2 2 384.322 1.263 20 0 GDADLP O=S(=O)(N1CCC([NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1)C(F)(F)F ZINC000848532288 655496324 /nfs/dbraw/zinc/49/63/24/655496324.db2.gz CLDPUZMXTSIICM-CQSZACIVSA-N 2 2 385.452 1.143 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3cc(=O)[nH]cc3Br)c2)CC1 ZINC000828142882 655519595 /nfs/dbraw/zinc/51/95/95/655519595.db2.gz VGKDMUSJKDLEPZ-UHFFFAOYSA-N 2 2 392.257 1.949 20 0 GDADLP Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658903 655952706 /nfs/dbraw/zinc/95/27/06/655952706.db2.gz ADCRWIQAYZQQKA-JSGCOSHPSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658903 655952708 /nfs/dbraw/zinc/95/27/08/655952708.db2.gz ADCRWIQAYZQQKA-JSGCOSHPSA-N 2 2 384.322 1.263 20 0 GDADLP CN(c1ccc2nnc(Br)n2n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000881973739 657008680 /nfs/dbraw/zinc/00/86/80/657008680.db2.gz QNDMOIMUUKLYNA-ZDUSSCGKSA-N 2 2 394.321 1.492 20 0 GDADLP CN(c1ccc2nnc(Br)n2n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000881973739 657008687 /nfs/dbraw/zinc/00/86/87/657008687.db2.gz QNDMOIMUUKLYNA-ZDUSSCGKSA-N 2 2 394.321 1.492 20 0 GDADLP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]([NH3+])c3ccc(Br)cc3)C2)CC1 ZINC000884221147 657336207 /nfs/dbraw/zinc/33/62/07/657336207.db2.gz KTZFIDQTAPPAON-RDJZCZTQSA-N 2 2 395.345 1.734 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1sc(N2CCOCC2)nc1Cl ZINC000894769290 658608906 /nfs/dbraw/zinc/60/89/06/658608906.db2.gz BMVSNQZXWMTWII-UHFFFAOYSA-N 2 2 387.981 1.702 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1cccc(Br)c1 ZINC000900693587 659137386 /nfs/dbraw/zinc/13/73/86/659137386.db2.gz XIWGXTIIBFBEOY-QGZVFWFLSA-N 2 2 398.345 1.967 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)[C@H](O)c1cccc(Br)c1 ZINC000900693587 659137387 /nfs/dbraw/zinc/13/73/87/659137387.db2.gz XIWGXTIIBFBEOY-QGZVFWFLSA-N 2 2 398.345 1.967 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870842 659385990 /nfs/dbraw/zinc/38/59/90/659385990.db2.gz LKQNWAVNWVAJFR-GBJTYRQASA-N 2 2 382.448 1.197 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870842 659385995 /nfs/dbraw/zinc/38/59/95/659385995.db2.gz LKQNWAVNWVAJFR-GBJTYRQASA-N 2 2 382.448 1.197 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](OCc4cccnc4)[C@H]4COC[C@@H]43)[nH+]2)CC1 ZINC001164758403 721006613 /nfs/dbraw/zinc/00/66/13/721006613.db2.gz IOPGQCOKRXTKES-UFYCRDLUSA-N 2 2 395.507 1.649 20 0 GDADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(C2CC2)[nH+]1 ZINC001164879651 721288684 /nfs/dbraw/zinc/28/86/84/721288684.db2.gz YJRIKFMVGOHHDH-UHFFFAOYSA-N 2 2 387.528 1.669 20 0 GDADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C2CC2)[nH+]1 ZINC001164879651 721288690 /nfs/dbraw/zinc/28/86/90/721288690.db2.gz YJRIKFMVGOHHDH-UHFFFAOYSA-N 2 2 387.528 1.669 20 0 GDADLP Cn1cc(N2C[C@]3(CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C3)CC2=O)cn1 ZINC001164887445 721372173 /nfs/dbraw/zinc/37/21/73/721372173.db2.gz RMTUVOIJRXPYQL-OAQYLSRUSA-N 2 2 395.511 1.200 20 0 GDADLP O=C(Cn1cc[nH+]c1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272546 945665939 /nfs/dbraw/zinc/66/59/39/945665939.db2.gz WAIWXJMXGOIEQR-CYBMUJFWSA-N 2 2 386.485 1.153 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281946 945820582 /nfs/dbraw/zinc/82/05/82/945820582.db2.gz CAPJUMQQMMFJHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281946 945820594 /nfs/dbraw/zinc/82/05/94/945820594.db2.gz CAPJUMQQMMFJHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281946 945820607 /nfs/dbraw/zinc/82/06/07/945820607.db2.gz CAPJUMQQMMFJHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001571281946 945820616 /nfs/dbraw/zinc/82/06/16/945820616.db2.gz CAPJUMQQMMFJHV-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@H](C)C1 ZINC000823972418 946529958 /nfs/dbraw/zinc/52/99/58/946529958.db2.gz ANPZAUHZQPGBPD-QRWLVFNGSA-N 2 2 397.527 1.678 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571316555 946578873 /nfs/dbraw/zinc/57/88/73/946578873.db2.gz GEMGLLKTSVRIRA-UHFFFAOYSA-N 2 2 392.467 1.257 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1CC2(C1)CCC[N@@H+](Cc1ccc(-c3nn[nH]n3)cc1)C2 ZINC001571316555 946578889 /nfs/dbraw/zinc/57/88/89/946578889.db2.gz GEMGLLKTSVRIRA-UHFFFAOYSA-N 2 2 392.467 1.257 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316521 946580091 /nfs/dbraw/zinc/58/00/91/946580091.db2.gz FMPPAGCFRMYRSL-GVDBMIGSSA-N 2 2 392.467 1.094 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316521 946580100 /nfs/dbraw/zinc/58/01/00/946580100.db2.gz FMPPAGCFRMYRSL-GVDBMIGSSA-N 2 2 392.467 1.094 20 0 GDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824428443 946705647 /nfs/dbraw/zinc/70/56/47/946705647.db2.gz RXUJTTWGFYFUPD-MRXNPFEDSA-N 2 2 385.516 1.141 20 0 GDADLP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824624757 946871192 /nfs/dbraw/zinc/87/11/92/946871192.db2.gz BXVHEAHMPLLBJV-OAHLLOKOSA-N 2 2 378.484 1.864 20 0 GDADLP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066251 947063329 /nfs/dbraw/zinc/06/33/29/947063329.db2.gz AMIYLWCTNKHJJV-CABCVRRESA-N 2 2 385.516 1.724 20 0 GDADLP C[NH+]1CCN(CCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826038876 947417444 /nfs/dbraw/zinc/41/74/44/947417444.db2.gz ZQMNJZAWMVSQDT-UHFFFAOYSA-N 3 2 398.559 1.058 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923743 948960284 /nfs/dbraw/zinc/96/02/84/948960284.db2.gz RPKMNMZKWYRHCL-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574923743 948960293 /nfs/dbraw/zinc/96/02/93/948960293.db2.gz RPKMNMZKWYRHCL-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574695051 949098725 /nfs/dbraw/zinc/09/87/25/949098725.db2.gz YYYWGIULUFDKFS-NSHDSACASA-N 2 2 388.501 1.566 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263449 949396947 /nfs/dbraw/zinc/39/69/47/949396947.db2.gz HCLAVNZABWCKJZ-SJKOYZFVSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263449 949396962 /nfs/dbraw/zinc/39/69/62/949396962.db2.gz HCLAVNZABWCKJZ-SJKOYZFVSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H]1[C@@H](NC(=O)CCn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575880566 949703676 /nfs/dbraw/zinc/70/36/76/949703676.db2.gz ULHQMQZTXQVJGX-ZFWWWQNUSA-N 2 2 381.444 1.022 20 0 GDADLP C[C@@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574726355 949937736 /nfs/dbraw/zinc/93/77/36/949937736.db2.gz ZUZMQYGVFFTITR-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493017 950114204 /nfs/dbraw/zinc/11/42/04/950114204.db2.gz QRNQJIGCYAQWHD-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493017 950114216 /nfs/dbraw/zinc/11/42/16/950114216.db2.gz QRNQJIGCYAQWHD-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NCC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1)n1cc[nH+]c1 ZINC001574497649 950231396 /nfs/dbraw/zinc/23/13/96/950231396.db2.gz AMLASWWTQCWOQU-AWEZNQCLSA-N 2 2 380.456 1.453 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204663 950469600 /nfs/dbraw/zinc/46/96/00/950469600.db2.gz RBTKOWPLXIJTDI-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204663 950469608 /nfs/dbraw/zinc/46/96/08/950469608.db2.gz RBTKOWPLXIJTDI-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204663 950469617 /nfs/dbraw/zinc/46/96/17/950469617.db2.gz RBTKOWPLXIJTDI-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204663 950469628 /nfs/dbraw/zinc/46/96/28/950469628.db2.gz RBTKOWPLXIJTDI-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205216 950502662 /nfs/dbraw/zinc/50/26/62/950502662.db2.gz HIBPIERFVXJQAU-LSDHHAIUSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205216 950502674 /nfs/dbraw/zinc/50/26/74/950502674.db2.gz HIBPIERFVXJQAU-LSDHHAIUSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205214 950502989 /nfs/dbraw/zinc/50/29/89/950502989.db2.gz HIBPIERFVXJQAU-GJZGRUSLSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205214 950502999 /nfs/dbraw/zinc/50/29/99/950502999.db2.gz HIBPIERFVXJQAU-GJZGRUSLSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205803 950539521 /nfs/dbraw/zinc/53/95/21/950539521.db2.gz PRUCXKFRLNGQHA-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205803 950539536 /nfs/dbraw/zinc/53/95/36/950539536.db2.gz PRUCXKFRLNGQHA-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205803 950539552 /nfs/dbraw/zinc/53/95/52/950539552.db2.gz PRUCXKFRLNGQHA-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205803 950539571 /nfs/dbraw/zinc/53/95/71/950539571.db2.gz PRUCXKFRLNGQHA-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cc[nH+]c1 ZINC001574517772 950645059 /nfs/dbraw/zinc/64/50/59/950645059.db2.gz LYFCRVKWLJDJIN-CKNFYHOISA-N 2 2 392.467 1.261 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cc[nH+]c1 ZINC001574517772 950645076 /nfs/dbraw/zinc/64/50/76/950645076.db2.gz LYFCRVKWLJDJIN-CKNFYHOISA-N 2 2 392.467 1.261 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104837 951888593 /nfs/dbraw/zinc/88/85/93/951888593.db2.gz FDDBRDLMOUUQTO-AWEZNQCLSA-N 2 2 382.472 1.075 20 0 GDADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001575109752 951933887 /nfs/dbraw/zinc/93/38/87/951933887.db2.gz UWEHQLZXSDEFCJ-GJZGRUSLSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575200856 952499331 /nfs/dbraw/zinc/49/93/31/952499331.db2.gz LXWDRZKCLWMOEP-WQVCFCJDSA-N 2 2 380.456 1.205 20 0 GDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239948 953244368 /nfs/dbraw/zinc/24/43/68/953244368.db2.gz VGBBZCUHYXZZNP-OAHLLOKOSA-N 2 2 384.419 1.004 20 0 GDADLP CN(C(=O)Cc1c[nH+]c[nH]1)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001571239948 953244374 /nfs/dbraw/zinc/24/43/74/953244374.db2.gz VGBBZCUHYXZZNP-OAHLLOKOSA-N 2 2 384.419 1.004 20 0 GDADLP COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000162567992 530569594 /nfs/dbraw/zinc/56/95/94/530569594.db2.gz IZOYNXGNRBECEB-DOTOQJQBSA-N 2 2 398.345 1.746 20 0 GDADLP COCC[C@@H](Cc1cccc(Br)c1)C(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000162567992 530569596 /nfs/dbraw/zinc/56/95/96/530569596.db2.gz IZOYNXGNRBECEB-DOTOQJQBSA-N 2 2 398.345 1.746 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175174177 530659742 /nfs/dbraw/zinc/65/97/42/530659742.db2.gz XAVLXFLZILBRAY-SFHVURJKSA-N 2 2 375.579 1.530 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000175174177 530659744 /nfs/dbraw/zinc/65/97/44/530659744.db2.gz XAVLXFLZILBRAY-SFHVURJKSA-N 2 2 375.579 1.530 20 0 GDADLP Cc1ccc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000179010903 530733352 /nfs/dbraw/zinc/73/33/52/530733352.db2.gz YXEHDPHOUKBTLD-MRXNPFEDSA-N 2 2 396.329 1.780 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000246125202 531063926 /nfs/dbraw/zinc/06/39/26/531063926.db2.gz QYDHFBZXNZMTLK-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000246125202 531063927 /nfs/dbraw/zinc/06/39/27/531063927.db2.gz QYDHFBZXNZMTLK-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000246125202 531063930 /nfs/dbraw/zinc/06/39/30/531063930.db2.gz QYDHFBZXNZMTLK-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)[C@@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000246125202 531063933 /nfs/dbraw/zinc/06/39/33/531063933.db2.gz QYDHFBZXNZMTLK-QGZVFWFLSA-N 2 2 397.361 1.933 20 0 GDADLP C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000129174048 531048303 /nfs/dbraw/zinc/04/83/03/531048303.db2.gz IQDFDNKDTAZBPH-LBPRGKRZSA-N 2 2 388.921 1.200 20 0 GDADLP C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000129174048 531048306 /nfs/dbraw/zinc/04/83/06/531048306.db2.gz IQDFDNKDTAZBPH-LBPRGKRZSA-N 2 2 388.921 1.200 20 0 GDADLP C[NH+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000129174048 531048310 /nfs/dbraw/zinc/04/83/10/531048310.db2.gz IQDFDNKDTAZBPH-LBPRGKRZSA-N 2 2 388.921 1.200 20 0 GDADLP C[NH+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000129174048 531048312 /nfs/dbraw/zinc/04/83/12/531048312.db2.gz IQDFDNKDTAZBPH-LBPRGKRZSA-N 2 2 388.921 1.200 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Cc2cc[nH]c(=O)c2Br)CC1 ZINC000278048824 531330257 /nfs/dbraw/zinc/33/02/57/531330257.db2.gz SWDQFBBBGUSCOH-UHFFFAOYSA-N 2 2 385.306 1.234 20 0 GDADLP [NH3+]Cc1ccc(-c2ccc(S(=O)(=O)N3CC[NH+](CCO)CC3)cc2)s1 ZINC000527589691 531333605 /nfs/dbraw/zinc/33/36/05/531333605.db2.gz YZZHURGYATXRER-UHFFFAOYSA-N 2 2 381.523 1.172 20 0 GDADLP Cn1ncc(Br)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000278397131 531357400 /nfs/dbraw/zinc/35/74/00/531357400.db2.gz NGNXHRUZFXPHHP-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910489 531426700 /nfs/dbraw/zinc/42/67/00/531426700.db2.gz VELDDGCBHSGJLG-NWDGAFQWSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910489 531426702 /nfs/dbraw/zinc/42/67/02/531426702.db2.gz VELDDGCBHSGJLG-NWDGAFQWSA-N 2 2 383.290 1.173 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000486023187 531444613 /nfs/dbraw/zinc/44/46/13/531444613.db2.gz NSHAJVMXCSYXBH-INIZCTEOSA-N 2 2 394.313 1.780 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000486023187 531444616 /nfs/dbraw/zinc/44/46/16/531444616.db2.gz NSHAJVMXCSYXBH-INIZCTEOSA-N 2 2 394.313 1.780 20 0 GDADLP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489935662 531514434 /nfs/dbraw/zinc/51/44/34/531514434.db2.gz QCZZUEHVGZZMLR-CYBMUJFWSA-N 2 2 397.317 1.707 20 0 GDADLP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000489935662 531514444 /nfs/dbraw/zinc/51/44/44/531514444.db2.gz QCZZUEHVGZZMLR-CYBMUJFWSA-N 2 2 397.317 1.707 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)NCC(F)(F)C[NH3+])cc1Br ZINC000415606101 531503534 /nfs/dbraw/zinc/50/35/34/531503534.db2.gz IKPVWFLHMFNSKK-UHFFFAOYSA-N 2 2 393.232 1.159 20 0 GDADLP CC[NH+](CC)CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635735886 531507512 /nfs/dbraw/zinc/50/75/12/531507512.db2.gz HCYBXFUAIZBAFE-INIZCTEOSA-N 2 2 375.579 1.322 20 0 GDADLP CC[NH+](CC)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000635735886 531507518 /nfs/dbraw/zinc/50/75/18/531507518.db2.gz HCYBXFUAIZBAFE-INIZCTEOSA-N 2 2 375.579 1.322 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCOCC1CCCC1 ZINC000416368535 531581949 /nfs/dbraw/zinc/58/19/49/531581949.db2.gz HQANRSXCNHAQQX-UHFFFAOYSA-N 2 2 375.579 1.481 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)CCOCC1CCCC1 ZINC000416368535 531581954 /nfs/dbraw/zinc/58/19/54/531581954.db2.gz HQANRSXCNHAQQX-UHFFFAOYSA-N 2 2 375.579 1.481 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@@H+]3CC[C@@H](O)C3)[nH+]c12 ZINC000637045347 531595390 /nfs/dbraw/zinc/59/53/90/531595390.db2.gz IGEIPCRJOGHXOH-CQSZACIVSA-N 2 2 396.289 1.271 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC[N@H+]3CC[C@@H](O)C3)[nH+]c12 ZINC000637045347 531595397 /nfs/dbraw/zinc/59/53/97/531595397.db2.gz IGEIPCRJOGHXOH-CQSZACIVSA-N 2 2 396.289 1.271 20 0 GDADLP C[NH+](C)[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C[C@@H]1O ZINC000560635250 531658837 /nfs/dbraw/zinc/65/88/37/531658837.db2.gz MUACOKKBNOKSTQ-ULQDDVLXSA-N 2 2 396.329 1.719 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCOc3cc(Br)ccc3C2)CC1 ZINC000662198326 531671155 /nfs/dbraw/zinc/67/11/55/531671155.db2.gz DIZGNAWNJYAXBI-UHFFFAOYSA-N 2 2 382.302 1.808 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCOc3cc(Br)ccc3C2)CC1 ZINC000662198326 531671164 /nfs/dbraw/zinc/67/11/64/531671164.db2.gz DIZGNAWNJYAXBI-UHFFFAOYSA-N 2 2 382.302 1.808 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662351031 531673549 /nfs/dbraw/zinc/67/35/49/531673549.db2.gz HTUNZBUZXABYSY-BBRMVZONSA-N 2 2 384.318 1.922 20 0 GDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662351031 531673556 /nfs/dbraw/zinc/67/35/56/531673556.db2.gz HTUNZBUZXABYSY-BBRMVZONSA-N 2 2 384.318 1.922 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)[NH+]1CCOCC1 ZINC000662368114 531674336 /nfs/dbraw/zinc/67/43/36/531674336.db2.gz KMELYRORGQRVHW-HOTGVXAUSA-N 2 2 384.318 1.922 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417197443 531757189 /nfs/dbraw/zinc/75/71/89/531757189.db2.gz ASPKIBOIJXELCJ-SMDDNHRTSA-N 2 2 378.274 1.990 20 0 GDADLP C[C@@](C[NH3+])(NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000562764406 531778038 /nfs/dbraw/zinc/77/80/38/531778038.db2.gz MMJXJSVSVKFMEA-INIZCTEOSA-N 2 2 398.305 1.930 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCCO[C@H](C[NH3+])C3)[nH+]c12 ZINC000418015433 531796920 /nfs/dbraw/zinc/79/69/20/531796920.db2.gz DLVYWNDWJPOMRF-CQSZACIVSA-N 2 2 396.289 1.664 20 0 GDADLP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1(C)C ZINC000623355201 531810125 /nfs/dbraw/zinc/81/01/25/531810125.db2.gz CYDHOIRYDBWEKI-AWEZNQCLSA-N 2 2 387.571 1.731 20 0 GDADLP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1(C)C ZINC000623355201 531810135 /nfs/dbraw/zinc/81/01/35/531810135.db2.gz CYDHOIRYDBWEKI-AWEZNQCLSA-N 2 2 387.571 1.731 20 0 GDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563364537 531829678 /nfs/dbraw/zinc/82/96/78/531829678.db2.gz PADDZVWICCYIHV-DOMZBBRYSA-N 2 2 379.270 1.150 20 0 GDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](CO)c1ccc(Br)c(F)c1 ZINC000563364537 531829686 /nfs/dbraw/zinc/82/96/86/531829686.db2.gz PADDZVWICCYIHV-DOMZBBRYSA-N 2 2 379.270 1.150 20 0 GDADLP C[C@@H](CSCCF)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000595011186 531865195 /nfs/dbraw/zinc/86/51/95/531865195.db2.gz YGPWBARTHGPKOJ-HNNXBMFYSA-N 2 2 389.562 1.804 20 0 GDADLP COC(=O)C1CC[NH+](CCCNc2nc(C)[nH+]c(C)c2Br)CC1 ZINC000596077342 531907901 /nfs/dbraw/zinc/90/79/01/531907901.db2.gz UMTXJSQSGNRHTG-UHFFFAOYSA-N 2 2 385.306 2.543 20 0 GDADLP C[NH+](C)C[C@@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983481 531920022 /nfs/dbraw/zinc/92/00/22/531920022.db2.gz RJRXBYUSDUOAID-RHSMWYFYSA-N 2 2 376.328 1.879 20 0 GDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631084698 531997868 /nfs/dbraw/zinc/99/78/68/531997868.db2.gz XNJZUASRYYTSKD-UHFFFAOYSA-N 2 2 389.949 1.966 20 0 GDADLP COCCOC[C@H](O)C[NH2+]CCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000577385384 532035515 /nfs/dbraw/zinc/03/55/15/532035515.db2.gz KNPWADFMQDMKAL-OAHLLOKOSA-N 2 2 386.290 1.561 20 0 GDADLP Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(C2=[NH+]C[C@H](C)S2)CC1 ZINC000285363806 532073383 /nfs/dbraw/zinc/07/33/83/532073383.db2.gz BQDGDJFSCKZTIY-LBPRGKRZSA-N 2 2 377.539 1.716 20 0 GDADLP C[C@@H]1C[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333243214 532227362 /nfs/dbraw/zinc/22/73/62/532227362.db2.gz BISIHCNYNILITH-VXGBXAGGSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)[C@@H](C)C[NH2+]1 ZINC000333356231 532231403 /nfs/dbraw/zinc/23/14/03/532231403.db2.gz SASXQRGVCQTVSU-RYUDHWBXSA-N 2 2 398.305 1.895 20 0 GDADLP C[C@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333383240 532232291 /nfs/dbraw/zinc/23/22/91/532232291.db2.gz WLHAFEPFKZLUCR-DGCLKSJQSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@](C[NH3+])([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000430595201 532252930 /nfs/dbraw/zinc/25/29/30/532252930.db2.gz HLIITRINUJLBAT-QGZVFWFLSA-N 2 2 386.327 1.754 20 0 GDADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431032729 532260054 /nfs/dbraw/zinc/26/00/54/532260054.db2.gz LJMOKOCKMUNUMT-UHFFFAOYSA-N 2 2 386.905 1.001 20 0 GDADLP CN(CCC[N@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1)CC[NH+](C)C ZINC000289351414 532322346 /nfs/dbraw/zinc/32/23/46/532322346.db2.gz GFDVSRWWMRZIDQ-UHFFFAOYSA-N 2 2 377.501 1.998 20 0 GDADLP CN(CCC[N@@H+](C)Cc1ccc(S(=O)(=O)C(F)F)cc1)CC[NH+](C)C ZINC000289351414 532322349 /nfs/dbraw/zinc/32/23/49/532322349.db2.gz GFDVSRWWMRZIDQ-UHFFFAOYSA-N 2 2 377.501 1.998 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527493 532327079 /nfs/dbraw/zinc/32/70/79/532327079.db2.gz AAGCHIJSBCDUBD-UKRRQHHQSA-N 2 2 397.317 1.428 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000737523811 598853610 /nfs/dbraw/zinc/85/36/10/598853610.db2.gz JGTQRGFYUXPFPL-KRWDZBQOSA-N 2 2 390.455 1.925 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000737523811 598853611 /nfs/dbraw/zinc/85/36/11/598853611.db2.gz JGTQRGFYUXPFPL-KRWDZBQOSA-N 2 2 390.455 1.925 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735652807 599095389 /nfs/dbraw/zinc/09/53/89/599095389.db2.gz SDKSQMHJWHVNKH-PBHICJAKSA-N 2 2 394.483 1.492 20 0 GDADLP C[NH+]1CCC(CNC(=O)Nc2ccc(-c3nn[nH]n3)cc2)([NH+]2CCCCC2)CC1 ZINC000821622068 599241412 /nfs/dbraw/zinc/24/14/12/599241412.db2.gz RACCTXWZWFBBQY-UHFFFAOYSA-N 2 2 398.515 1.939 20 0 GDADLP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820683549 599695717 /nfs/dbraw/zinc/69/57/17/599695717.db2.gz CYIULAYTKQWPLJ-HOTGVXAUSA-N 2 2 383.500 1.384 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410417 607478217 /nfs/dbraw/zinc/47/82/17/607478217.db2.gz MPGKNDAGYUOGMJ-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410417 607478219 /nfs/dbraw/zinc/47/82/19/607478219.db2.gz MPGKNDAGYUOGMJ-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410417 607478221 /nfs/dbraw/zinc/47/82/21/607478221.db2.gz MPGKNDAGYUOGMJ-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410417 607478222 /nfs/dbraw/zinc/47/82/22/607478222.db2.gz MPGKNDAGYUOGMJ-HKUYNNGSSA-N 2 2 395.511 1.432 20 0 GDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cc(-c4nn[nH]n4)cs3)cc2)CC1 ZINC000821627198 606211632 /nfs/dbraw/zinc/21/16/32/606211632.db2.gz QYGDMJZBNIIKKJ-UHFFFAOYSA-N 2 2 397.508 1.606 20 0 GDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714623 606222301 /nfs/dbraw/zinc/22/23/01/606222301.db2.gz NSHUIKADSLVCFM-SJLPKXTDSA-N 2 2 384.509 1.901 20 0 GDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714623 606222303 /nfs/dbraw/zinc/22/23/03/606222303.db2.gz NSHUIKADSLVCFM-SJLPKXTDSA-N 2 2 384.509 1.901 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821621646 606350766 /nfs/dbraw/zinc/35/07/66/606350766.db2.gz ABCUVLWGFODWIZ-UHFFFAOYSA-N 2 2 390.467 1.496 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)cc1-c1nn[nH]n1 ZINC000821621646 606350768 /nfs/dbraw/zinc/35/07/68/606350768.db2.gz ABCUVLWGFODWIZ-UHFFFAOYSA-N 2 2 390.467 1.496 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000821622104 606541491 /nfs/dbraw/zinc/54/14/91/606541491.db2.gz RYIHMLCBDNUMLL-UHFFFAOYSA-N 2 2 383.500 1.084 20 0 GDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820683724 607060062 /nfs/dbraw/zinc/06/00/62/607060062.db2.gz GKFFCTUBNNLDPG-HZPDHXFCSA-N 2 2 387.507 1.996 20 0 GDADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826073102 608022600 /nfs/dbraw/zinc/02/26/00/608022600.db2.gz FBRVHJCWQTZYOC-CYBMUJFWSA-N 2 2 397.487 1.201 20 0 GDADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826073102 608022601 /nfs/dbraw/zinc/02/26/01/608022601.db2.gz FBRVHJCWQTZYOC-CYBMUJFWSA-N 2 2 397.487 1.201 20 0 GDADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826073103 608022682 /nfs/dbraw/zinc/02/26/82/608022682.db2.gz FBRVHJCWQTZYOC-ZDUSSCGKSA-N 2 2 397.487 1.201 20 0 GDADLP C[NH2+]CCCc1[nH]nc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1-c1nn[nH]n1 ZINC000826073103 608022683 /nfs/dbraw/zinc/02/26/83/608022683.db2.gz FBRVHJCWQTZYOC-ZDUSSCGKSA-N 2 2 397.487 1.201 20 0 GDADLP C[C@H]1C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984740 608170882 /nfs/dbraw/zinc/17/08/82/608170882.db2.gz NDOFNXHFJNQSFA-LPHOPBHVSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984740 608170883 /nfs/dbraw/zinc/17/08/83/608170883.db2.gz NDOFNXHFJNQSFA-LPHOPBHVSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824991629 608171009 /nfs/dbraw/zinc/17/10/09/608171009.db2.gz DGOAHAKWKAMMHG-FUHWJXTLSA-N 2 2 394.527 1.577 20 0 GDADLP C[C@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824991629 608171011 /nfs/dbraw/zinc/17/10/11/608171011.db2.gz DGOAHAKWKAMMHG-FUHWJXTLSA-N 2 2 394.527 1.577 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2nn[nH]n2)nn1 ZINC000826022054 608430525 /nfs/dbraw/zinc/43/05/25/608430525.db2.gz HMESQEQCEQXZAH-UHFFFAOYSA-N 2 2 385.520 1.289 20 0 GDADLP C[NH+](C)CCOc1ccccc1N1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000825870675 608702638 /nfs/dbraw/zinc/70/26/38/608702638.db2.gz XXBKSYSDQUNVEG-UHFFFAOYSA-N 2 2 397.483 1.722 20 0 GDADLP Cc1nnc2n1C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826337616 609185720 /nfs/dbraw/zinc/18/57/20/609185720.db2.gz USXDLCQTZNJQEM-SFHVURJKSA-N 2 2 393.499 1.336 20 0 GDADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361474 609338953 /nfs/dbraw/zinc/33/89/53/609338953.db2.gz YEGSBIYTZSXSKM-MSOLQXFVSA-N 2 2 394.483 1.220 20 0 GDADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361474 609338954 /nfs/dbraw/zinc/33/89/54/609338954.db2.gz YEGSBIYTZSXSKM-MSOLQXFVSA-N 2 2 394.483 1.220 20 0 GDADLP C[C@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045298 650304169 /nfs/dbraw/zinc/30/41/69/650304169.db2.gz LOEPPWGATJBDMS-ZACQAIPSSA-N 2 2 376.563 1.257 20 0 GDADLP C[C@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045298 650304171 /nfs/dbraw/zinc/30/41/71/650304171.db2.gz LOEPPWGATJBDMS-ZACQAIPSSA-N 2 2 376.563 1.257 20 0 GDADLP C[N@H+](C[C@H](O)C[NH2+]CCOc1ccc(I)cc1)C1CC1 ZINC000564651439 650763831 /nfs/dbraw/zinc/76/38/31/650763831.db2.gz OVTUQDPXKIFXRI-CQSZACIVSA-N 2 2 390.265 1.715 20 0 GDADLP C[N@@H+](C[C@H](O)C[NH2+]CCOc1ccc(I)cc1)C1CC1 ZINC000564651439 650763837 /nfs/dbraw/zinc/76/38/37/650763837.db2.gz OVTUQDPXKIFXRI-CQSZACIVSA-N 2 2 390.265 1.715 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872550 645253984 /nfs/dbraw/zinc/25/39/84/645253984.db2.gz ZMEFHXRMWBBVLL-INMHGKMJSA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872550 645253988 /nfs/dbraw/zinc/25/39/88/645253988.db2.gz ZMEFHXRMWBBVLL-INMHGKMJSA-N 2 2 385.302 1.642 20 0 GDADLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000420356602 645941532 /nfs/dbraw/zinc/94/15/32/645941532.db2.gz RAWJFYSAPYRXIA-FZMZJTMJSA-N 2 2 388.921 1.340 20 0 GDADLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000420356602 645941535 /nfs/dbraw/zinc/94/15/35/645941535.db2.gz RAWJFYSAPYRXIA-FZMZJTMJSA-N 2 2 388.921 1.340 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N(C)CCOCC[NH3+])[nH+]c12 ZINC000627013694 653066754 /nfs/dbraw/zinc/06/67/54/653066754.db2.gz NVGRGRMPQCKFIK-UHFFFAOYSA-N 2 2 398.305 1.564 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1Br ZINC000658333909 654185396 /nfs/dbraw/zinc/18/53/96/654185396.db2.gz VIKQZYLCRJDWTI-ZDUSSCGKSA-N 2 2 399.333 1.776 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1Br ZINC000658333909 654185400 /nfs/dbraw/zinc/18/54/00/654185400.db2.gz VIKQZYLCRJDWTI-ZDUSSCGKSA-N 2 2 399.333 1.776 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000683619918 654780318 /nfs/dbraw/zinc/78/03/18/654780318.db2.gz IEKHVVBLCSESFL-LLVKDONJSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000683619918 654780321 /nfs/dbraw/zinc/78/03/21/654780321.db2.gz IEKHVVBLCSESFL-LLVKDONJSA-N 2 2 383.290 1.448 20 0 GDADLP C[N@H+](CCn1cnc(Br)n1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851956785 655604460 /nfs/dbraw/zinc/60/44/60/655604460.db2.gz FYYXPROOHSDESU-KRWDZBQOSA-N 2 2 394.317 1.609 20 0 GDADLP C[N@@H+](CCn1cnc(Br)n1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000851956785 655604462 /nfs/dbraw/zinc/60/44/62/655604462.db2.gz FYYXPROOHSDESU-KRWDZBQOSA-N 2 2 394.317 1.609 20 0 GDADLP C[NH+](CCn1cnc(Br)n1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000851956785 655604464 /nfs/dbraw/zinc/60/44/64/655604464.db2.gz FYYXPROOHSDESU-KRWDZBQOSA-N 2 2 394.317 1.609 20 0 GDADLP C[NH+](CCn1cnc(Br)n1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000851956785 655604465 /nfs/dbraw/zinc/60/44/65/655604465.db2.gz FYYXPROOHSDESU-KRWDZBQOSA-N 2 2 394.317 1.609 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000860048160 655794133 /nfs/dbraw/zinc/79/41/33/655794133.db2.gz QJOXIEOLBOBYEZ-SJLPKXTDSA-N 2 2 396.329 1.721 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CC1 ZINC000860048160 655794135 /nfs/dbraw/zinc/79/41/35/655794135.db2.gz QJOXIEOLBOBYEZ-SJLPKXTDSA-N 2 2 396.329 1.721 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000863548859 655875444 /nfs/dbraw/zinc/87/54/44/655875444.db2.gz YNZUXGRPMXPLJT-CABCVRRESA-N 2 2 381.274 1.601 20 0 GDADLP C[N@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1(C[NH3+])CCCCC1 ZINC000923423026 656551765 /nfs/dbraw/zinc/55/17/65/656551765.db2.gz PNHQRBKBXNENPD-HNNXBMFYSA-N 2 2 375.579 1.581 20 0 GDADLP C[N@@H+](C[C@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1(C[NH3+])CCCCC1 ZINC000923423026 656551769 /nfs/dbraw/zinc/55/17/69/656551769.db2.gz PNHQRBKBXNENPD-HNNXBMFYSA-N 2 2 375.579 1.581 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(Nc3ccc4nnc(Br)n4n3)CC2)CC1 ZINC000881871104 656977688 /nfs/dbraw/zinc/97/76/88/656977688.db2.gz DZNVOASNHSOURT-UHFFFAOYSA-N 2 2 394.321 1.857 20 0 GDADLP Cn1cc(Br)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1=O ZINC000932621584 657203561 /nfs/dbraw/zinc/20/35/61/657203561.db2.gz MGYCTDMLGVGHKO-LBPRGKRZSA-N 2 2 397.317 1.046 20 0 GDADLP Cn1cc(Br)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1=O ZINC000932621584 657203566 /nfs/dbraw/zinc/20/35/66/657203566.db2.gz MGYCTDMLGVGHKO-LBPRGKRZSA-N 2 2 397.317 1.046 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234151 657338331 /nfs/dbraw/zinc/33/83/31/657338331.db2.gz JOQZAAZBNKUEJL-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000884234641 657338411 /nfs/dbraw/zinc/33/84/11/657338411.db2.gz AEPVUMGCSPBGFS-BBRMVZONSA-N 2 2 383.334 1.449 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884311700 657345009 /nfs/dbraw/zinc/34/50/09/657345009.db2.gz JPEIFXRUSRNNJY-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884311700 657345015 /nfs/dbraw/zinc/34/50/15/657345015.db2.gz JPEIFXRUSRNNJY-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP Cc1cc(N2CCC([NH2+]Cc3nc(Br)nn3C)CC2)nc(C)[nH+]1 ZINC000894394644 658550707 /nfs/dbraw/zinc/55/07/07/658550707.db2.gz ZBOOGLOAFQHPGM-UHFFFAOYSA-N 2 2 380.294 1.743 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000896325759 658768543 /nfs/dbraw/zinc/76/85/43/658768543.db2.gz SIBRCBWZZUYRPB-GFCCVEGCSA-N 2 2 396.333 1.490 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000896325759 658768548 /nfs/dbraw/zinc/76/85/48/658768548.db2.gz SIBRCBWZZUYRPB-GFCCVEGCSA-N 2 2 396.333 1.490 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737172 659378523 /nfs/dbraw/zinc/37/85/23/659378523.db2.gz PRUXFFOYARWQLH-AWEZNQCLSA-N 2 2 397.317 1.873 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737172 659378527 /nfs/dbraw/zinc/37/85/27/659378527.db2.gz PRUXFFOYARWQLH-AWEZNQCLSA-N 2 2 397.317 1.873 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000903848642 659384443 /nfs/dbraw/zinc/38/44/43/659384443.db2.gz SHNCTKJXCVSKAT-XQQFMLRXSA-N 2 2 395.301 1.315 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)C2 ZINC000903848642 659384448 /nfs/dbraw/zinc/38/44/48/659384448.db2.gz SHNCTKJXCVSKAT-XQQFMLRXSA-N 2 2 395.301 1.315 20 0 GDADLP CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654617 659565416 /nfs/dbraw/zinc/56/54/16/659565416.db2.gz KZYSBXSUURNQJF-CHWSQXEVSA-N 2 2 386.751 1.735 20 0 GDADLP CN(C(=O)C[C@@H](O)C(Cl)(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654617 659565418 /nfs/dbraw/zinc/56/54/18/659565418.db2.gz KZYSBXSUURNQJF-CHWSQXEVSA-N 2 2 386.751 1.735 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000912387287 660034591 /nfs/dbraw/zinc/03/45/91/660034591.db2.gz NSVOAAGOVQEHEK-UHFFFAOYSA-N 2 2 390.315 1.118 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)CNC(=O)c1cnc(Cl)c(Cl)c1 ZINC000912387287 660034593 /nfs/dbraw/zinc/03/45/93/660034593.db2.gz NSVOAAGOVQEHEK-UHFFFAOYSA-N 2 2 390.315 1.118 20 0 GDADLP Cc1[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc2[nH]ccc21 ZINC001164708988 719919511 /nfs/dbraw/zinc/91/95/11/719919511.db2.gz VZDLWJZHGSXYDZ-UHFFFAOYSA-N 2 2 393.495 1.555 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849423 720831043 /nfs/dbraw/zinc/83/10/43/720831043.db2.gz PTAFHNOPZWGALV-ROUUACIJSA-N 2 2 375.517 1.559 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849423 720831046 /nfs/dbraw/zinc/83/10/46/720831046.db2.gz PTAFHNOPZWGALV-ROUUACIJSA-N 2 2 375.517 1.559 20 0 GDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCCCC3)[nH+]cn1)CC2 ZINC001164754136 720963237 /nfs/dbraw/zinc/96/32/37/720963237.db2.gz MQCBKJFXIPKTRC-UHFFFAOYSA-N 2 2 399.499 1.309 20 0 GDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1cc(N3CCCCC3)nc[nH+]1)CC2 ZINC001164754136 720963245 /nfs/dbraw/zinc/96/32/45/720963245.db2.gz MQCBKJFXIPKTRC-UHFFFAOYSA-N 2 2 399.499 1.309 20 0 GDADLP C[NH+](C)CCNC(=O)c1noc2c1CN(c1[nH+]ccc3c4c([nH]c31)CCC4)CC2 ZINC001164754956 720968941 /nfs/dbraw/zinc/96/89/41/720968941.db2.gz ZRPNHLSGWWIHDK-UHFFFAOYSA-N 2 2 394.479 1.894 20 0 GDADLP Cc1c[nH+]c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1NCC1CC1 ZINC001164795816 721508257 /nfs/dbraw/zinc/50/82/57/721508257.db2.gz NPCJFYCWWKQHHI-UHFFFAOYSA-N 2 2 396.543 1.571 20 0 GDADLP COC(=O)c1c(C)cc(C)[nH+]c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164794253 721513324 /nfs/dbraw/zinc/51/33/24/721513324.db2.gz MFXMRPLTOBTMQS-UHFFFAOYSA-N 2 2 398.511 1.449 20 0 GDADLP CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2c1cccc(N2CC[NH+](C)CC2)[nH+]1 ZINC001164995210 722215461 /nfs/dbraw/zinc/21/54/61/722215461.db2.gz HEPQWTRYEQYVOB-KSZLIROESA-N 2 2 387.528 1.342 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705104 944873607 /nfs/dbraw/zinc/87/36/07/944873607.db2.gz FMCJVMMANCAIKK-DLBZAZTESA-N 2 2 397.483 1.702 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705104 944873612 /nfs/dbraw/zinc/87/36/12/944873612.db2.gz FMCJVMMANCAIKK-DLBZAZTESA-N 2 2 397.483 1.702 20 0 GDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271626 945646571 /nfs/dbraw/zinc/64/65/71/945646571.db2.gz FYJPKKMFTQICPI-AWEZNQCLSA-N 2 2 386.485 1.152 20 0 GDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CCC[NH+]1CCC2 ZINC001571285064 945911507 /nfs/dbraw/zinc/91/15/07/945911507.db2.gz XUSUXHNJNGZSPV-CYBMUJFWSA-N 2 2 387.513 1.247 20 0 GDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)C12CCC[NH+]1CCC2 ZINC001571285064 945911514 /nfs/dbraw/zinc/91/15/14/945911514.db2.gz XUSUXHNJNGZSPV-CYBMUJFWSA-N 2 2 387.513 1.247 20 0 GDADLP C[C@@H](CN1CCCC1=O)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412528 946692386 /nfs/dbraw/zinc/69/23/86/946692386.db2.gz AIHBBPLAWXGJFT-HNNXBMFYSA-N 2 2 383.500 1.432 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033351 947409572 /nfs/dbraw/zinc/40/95/72/947409572.db2.gz ATRSNGOFCHCIDU-BHIYHBOVSA-N 2 2 395.511 1.778 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033351 947409579 /nfs/dbraw/zinc/40/95/79/947409579.db2.gz ATRSNGOFCHCIDU-BHIYHBOVSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033351 947409581 /nfs/dbraw/zinc/40/95/81/947409581.db2.gz ATRSNGOFCHCIDU-BHIYHBOVSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000826033351 947409588 /nfs/dbraw/zinc/40/95/88/947409588.db2.gz ATRSNGOFCHCIDU-BHIYHBOVSA-N 2 2 395.511 1.778 20 0 GDADLP Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826329156 947959605 /nfs/dbraw/zinc/95/96/05/947959605.db2.gz RXOMRIZZCYVSHI-GOSISDBHSA-N 2 2 393.499 1.336 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266035 949467576 /nfs/dbraw/zinc/46/75/76/949467576.db2.gz WVHROEYPZCCLBQ-SJCJKPOMSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266035 949467588 /nfs/dbraw/zinc/46/75/88/949467588.db2.gz WVHROEYPZCCLBQ-SJCJKPOMSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574476942 949630363 /nfs/dbraw/zinc/63/03/63/949630363.db2.gz MIUUIIVKNSKTAH-CYBMUJFWSA-N 2 2 388.501 1.666 20 0 GDADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574476942 949630373 /nfs/dbraw/zinc/63/03/73/949630373.db2.gz MIUUIIVKNSKTAH-CYBMUJFWSA-N 2 2 388.501 1.666 20 0 GDADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879386 949690007 /nfs/dbraw/zinc/69/00/07/949690007.db2.gz QMNMZJHSNAYDLB-UKRRQHHQSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879386 949690024 /nfs/dbraw/zinc/69/00/24/949690024.db2.gz QMNMZJHSNAYDLB-UKRRQHHQSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882725 949788185 /nfs/dbraw/zinc/78/81/85/949788185.db2.gz NOLQVRTVPDMUPP-JSGCOSHPSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575882725 949788208 /nfs/dbraw/zinc/78/82/08/949788208.db2.gz NOLQVRTVPDMUPP-JSGCOSHPSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574522808 950797288 /nfs/dbraw/zinc/79/72/88/950797288.db2.gz LCJMWUDKGMPZNA-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001575081460 951724673 /nfs/dbraw/zinc/72/46/73/951724673.db2.gz VANPAOCQMXMWBS-GFCCVEGCSA-N 2 2 386.435 1.204 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575094372 951804701 /nfs/dbraw/zinc/80/47/01/951804701.db2.gz NFJJTMISVAPRHV-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001575109220 951927938 /nfs/dbraw/zinc/92/79/38/951927938.db2.gz PQFYVLYLXJYNOG-CYBMUJFWSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H]1CN(C(=O)CCc2c[nH]c[nH+]2)C[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571169616 952776170 /nfs/dbraw/zinc/77/61/70/952776170.db2.gz IDICAFNORXSKBH-CXAGYDPISA-N 2 2 380.456 1.159 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2ccccc2Br)CN1CC[NH+]1CCOCC1 ZINC000172696999 530617231 /nfs/dbraw/zinc/61/72/31/530617231.db2.gz DOPSMAKSENYGHY-OAHLLOKOSA-N 2 2 382.302 1.472 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2ccccc2Br)CC1 ZINC000123610379 530985599 /nfs/dbraw/zinc/98/55/99/530985599.db2.gz FXIHWPQIVQXUTD-UHFFFAOYSA-N 2 2 384.318 1.970 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000127122110 531026443 /nfs/dbraw/zinc/02/64/43/531026443.db2.gz YGBPAZDEYKYNPH-UHFFFAOYSA-N 2 2 399.333 1.956 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Br ZINC000127122110 531026447 /nfs/dbraw/zinc/02/64/47/531026447.db2.gz YGBPAZDEYKYNPH-UHFFFAOYSA-N 2 2 399.333 1.956 20 0 GDADLP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000261756056 531098003 /nfs/dbraw/zinc/09/80/03/531098003.db2.gz JKWBKJAUQOJMNK-MZMPZRCHSA-N 2 2 396.329 1.802 20 0 GDADLP C[C@H](NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[C@H](C)[NH+]1CCOCC1 ZINC000261870223 531101740 /nfs/dbraw/zinc/10/17/40/531101740.db2.gz XUDSYJDMIWWONR-DCGLDWPTSA-N 2 2 384.318 1.848 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414248939 531436878 /nfs/dbraw/zinc/43/68/78/531436878.db2.gz FATSMYZEKKWKNQ-AWEZNQCLSA-N 2 2 375.922 1.434 20 0 GDADLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414248939 531436882 /nfs/dbraw/zinc/43/68/82/531436882.db2.gz FATSMYZEKKWKNQ-AWEZNQCLSA-N 2 2 375.922 1.434 20 0 GDADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486035542 531444036 /nfs/dbraw/zinc/44/40/36/531444036.db2.gz CDJKQTQANMESSH-OAHLLOKOSA-N 2 2 382.302 1.854 20 0 GDADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000486035542 531444039 /nfs/dbraw/zinc/44/40/39/531444039.db2.gz CDJKQTQANMESSH-OAHLLOKOSA-N 2 2 382.302 1.854 20 0 GDADLP COc1cc(Br)c(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1O ZINC000486028209 531444650 /nfs/dbraw/zinc/44/46/50/531444650.db2.gz LAGBNTIGPSCXBX-CYBMUJFWSA-N 2 2 398.301 1.560 20 0 GDADLP COc1cc(Br)c(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1O ZINC000486028209 531444654 /nfs/dbraw/zinc/44/46/54/531444654.db2.gz LAGBNTIGPSCXBX-CYBMUJFWSA-N 2 2 398.301 1.560 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000486454389 531452130 /nfs/dbraw/zinc/45/21/30/531452130.db2.gz ISTNIUWJIFTSPM-OAHLLOKOSA-N 2 2 382.302 1.724 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000486454389 531452133 /nfs/dbraw/zinc/45/21/33/531452133.db2.gz ISTNIUWJIFTSPM-OAHLLOKOSA-N 2 2 382.302 1.724 20 0 GDADLP CS[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1[NH+](C)C ZINC000537275300 531457628 /nfs/dbraw/zinc/45/76/28/531457628.db2.gz FPQPSZYZVSKOLC-SJORKVTESA-N 2 2 382.599 1.370 20 0 GDADLP CCOCCOc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414968639 531464257 /nfs/dbraw/zinc/46/42/57/531464257.db2.gz RZRSFQNVPOXFIF-MRXNPFEDSA-N 2 2 386.334 1.858 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN([C@@H]4CC[NH2+]C4)CC3)c[nH+]c12 ZINC000491193974 531550936 /nfs/dbraw/zinc/55/09/36/531550936.db2.gz HXGRQAQAOARCBJ-OAHLLOKOSA-N 2 2 378.318 1.885 20 0 GDADLP Fc1cc(Br)cnc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623420945 531813509 /nfs/dbraw/zinc/81/35/09/531813509.db2.gz TUAADJBWSPOZOC-CQSZACIVSA-N 2 2 387.297 1.479 20 0 GDADLP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](Cc3ccc(Cl)cc3)CC2)C1 ZINC000623794165 531824416 /nfs/dbraw/zinc/82/44/16/531824416.db2.gz KGSRAAQLMPTFAP-UHFFFAOYSA-N 2 2 386.949 1.385 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3C[NH2+]CCCO3)[nH+]c12 ZINC000563583932 531853673 /nfs/dbraw/zinc/85/36/73/531853673.db2.gz FXVHRRWCUNRLSD-CQSZACIVSA-N 2 2 396.289 1.583 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367697372 531855221 /nfs/dbraw/zinc/85/52/21/531855221.db2.gz LAVKJFCWWRUQLK-OHRKKDJYSA-N 2 2 398.349 1.707 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367697372 531855225 /nfs/dbraw/zinc/85/52/25/531855225.db2.gz LAVKJFCWWRUQLK-OHRKKDJYSA-N 2 2 398.349 1.707 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)NCC3([NH3+])CCC3)[nH+]c12 ZINC000419045680 531889245 /nfs/dbraw/zinc/88/92/45/531889245.db2.gz SWIXCEFYWABSCB-UHFFFAOYSA-N 2 2 394.273 1.019 20 0 GDADLP CN(C)C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983051 531920469 /nfs/dbraw/zinc/92/04/69/531920469.db2.gz CNUNLHCSIVSKMJ-MAUKXSAKSA-N 2 2 389.371 1.794 20 0 GDADLP CN1CC[NH+](C[C@@H](O)CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000625983051 531920485 /nfs/dbraw/zinc/92/04/85/531920485.db2.gz CNUNLHCSIVSKMJ-MAUKXSAKSA-N 2 2 389.371 1.794 20 0 GDADLP CN(C)C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983053 531921431 /nfs/dbraw/zinc/92/14/31/531921431.db2.gz CNUNLHCSIVSKMJ-YJBOKZPZSA-N 2 2 389.371 1.794 20 0 GDADLP CN1CC[NH+](C[C@@H](O)CN[C@@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000625983053 531921442 /nfs/dbraw/zinc/92/14/42/531921442.db2.gz CNUNLHCSIVSKMJ-YJBOKZPZSA-N 2 2 389.371 1.794 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375744990 532182157 /nfs/dbraw/zinc/18/21/57/532182157.db2.gz UERJCEWYDXZJED-GFCCVEGCSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375744990 532182162 /nfs/dbraw/zinc/18/21/62/532182162.db2.gz UERJCEWYDXZJED-GFCCVEGCSA-N 2 2 397.317 1.756 20 0 GDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000430588312 532251838 /nfs/dbraw/zinc/25/18/38/532251838.db2.gz DBVKTTIDXXGDQS-INIZCTEOSA-N 2 2 385.306 1.467 20 0 GDADLP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545387 532252369 /nfs/dbraw/zinc/25/23/69/532252369.db2.gz QBZCACJBWSMSGB-QWHCGFSZSA-N 2 2 397.317 1.563 20 0 GDADLP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545387 532252371 /nfs/dbraw/zinc/25/23/71/532252371.db2.gz QBZCACJBWSMSGB-QWHCGFSZSA-N 2 2 397.317 1.563 20 0 GDADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430630168 532253774 /nfs/dbraw/zinc/25/37/74/532253774.db2.gz RHAAOHKYZPGYEO-UHFFFAOYSA-N 2 2 387.311 1.315 20 0 GDADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430630168 532253776 /nfs/dbraw/zinc/25/37/76/532253776.db2.gz RHAAOHKYZPGYEO-UHFFFAOYSA-N 2 2 387.311 1.315 20 0 GDADLP CN(CCC[N@H+](C)CC(=O)Nc1ccc(Br)cn1)CC[NH+](C)C ZINC000289461582 532324929 /nfs/dbraw/zinc/32/49/29/532324929.db2.gz QDQXRRNEEUPWNX-UHFFFAOYSA-N 2 2 386.338 1.598 20 0 GDADLP CN(CCC[N@@H+](C)CC(=O)Nc1ccc(Br)cn1)CC[NH+](C)C ZINC000289461582 532324930 /nfs/dbraw/zinc/32/49/30/532324930.db2.gz QDQXRRNEEUPWNX-UHFFFAOYSA-N 2 2 386.338 1.598 20 0 GDADLP CC[N@@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132170 571046130 /nfs/dbraw/zinc/04/61/30/571046130.db2.gz MWCXIQQGPJOGIY-XYJFISCASA-N 2 2 385.516 1.942 20 0 GDADLP CC[N@H+]1CCC[C@@H](C[NH+](C)[C@@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132170 571046131 /nfs/dbraw/zinc/04/61/31/571046131.db2.gz MWCXIQQGPJOGIY-XYJFISCASA-N 2 2 385.516 1.942 20 0 GDADLP CC[NH+]1CCC[C@@H](C[N@H+](C)[C@@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132170 571046132 /nfs/dbraw/zinc/04/61/32/571046132.db2.gz MWCXIQQGPJOGIY-XYJFISCASA-N 2 2 385.516 1.942 20 0 GDADLP CC[NH+]1CCC[C@@H](C[N@@H+](C)[C@@H](C)C(=O)Nc2ncccn2)[C@@H]1c1cnn(C)c1 ZINC000509132170 571046134 /nfs/dbraw/zinc/04/61/34/571046134.db2.gz MWCXIQQGPJOGIY-XYJFISCASA-N 2 2 385.516 1.942 20 0 GDADLP COc1cc[nH+]c(N2CC[NH+](CCOc3ccccc3-c3nn[nH]n3)CC2)c1 ZINC000737160173 598250921 /nfs/dbraw/zinc/25/09/21/598250921.db2.gz VJGYFVVHGYNAFI-UHFFFAOYSA-N 2 2 381.440 1.471 20 0 GDADLP CC[N@H+](CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736537464 598305464 /nfs/dbraw/zinc/30/54/64/598305464.db2.gz SCPNHXLJWLZEON-UHFFFAOYSA-N 2 2 398.515 1.178 20 0 GDADLP CC[N@@H+](CCNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CC1 ZINC000736537464 598305467 /nfs/dbraw/zinc/30/54/67/598305467.db2.gz SCPNHXLJWLZEON-UHFFFAOYSA-N 2 2 398.515 1.178 20 0 GDADLP C[C@H](O)C[N@H+](C)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736141674 598365855 /nfs/dbraw/zinc/36/58/55/598365855.db2.gz AOIQFERRPCXZBG-LBPRGKRZSA-N 2 2 393.517 1.034 20 0 GDADLP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736141674 598365857 /nfs/dbraw/zinc/36/58/57/598365857.db2.gz AOIQFERRPCXZBG-LBPRGKRZSA-N 2 2 393.517 1.034 20 0 GDADLP C[N@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736804797 598367014 /nfs/dbraw/zinc/36/70/14/598367014.db2.gz WKCCPEWZBKAKJR-UHFFFAOYSA-N 2 2 396.499 1.538 20 0 GDADLP C[N@@H+](CCOc1ccccc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736804797 598367015 /nfs/dbraw/zinc/36/70/15/598367015.db2.gz WKCCPEWZBKAKJR-UHFFFAOYSA-N 2 2 396.499 1.538 20 0 GDADLP CC[NH+](CC)[C@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736532809 598517699 /nfs/dbraw/zinc/51/76/99/598517699.db2.gz DBVNINMMTKWQJB-MAUKXSAKSA-N 2 2 395.515 1.778 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC000736851468 598811902 /nfs/dbraw/zinc/81/19/02/598811902.db2.gz IPTBXUZCSGJVLX-BQYQJAHWSA-N 2 2 383.500 1.364 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC000736851468 598811905 /nfs/dbraw/zinc/81/19/05/598811905.db2.gz IPTBXUZCSGJVLX-BQYQJAHWSA-N 2 2 383.500 1.364 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286123 599316688 /nfs/dbraw/zinc/31/66/88/599316688.db2.gz LYKKOQUSVMCXCA-GPMSIDNRSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(C[C@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286123 599316690 /nfs/dbraw/zinc/31/66/90/599316690.db2.gz LYKKOQUSVMCXCA-GPMSIDNRSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000736286123 599316693 /nfs/dbraw/zinc/31/66/93/599316693.db2.gz LYKKOQUSVMCXCA-GPMSIDNRSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000736286123 599316696 /nfs/dbraw/zinc/31/66/96/599316696.db2.gz LYKKOQUSVMCXCA-GPMSIDNRSA-N 2 2 385.516 1.264 20 0 GDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810113 599404586 /nfs/dbraw/zinc/40/45/86/599404586.db2.gz WYBKHLUPKPSVQZ-SFHVURJKSA-N 2 2 394.479 1.384 20 0 GDADLP COc1ccc(C[NH2+]C[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810113 599404589 /nfs/dbraw/zinc/40/45/89/599404589.db2.gz WYBKHLUPKPSVQZ-SFHVURJKSA-N 2 2 394.479 1.384 20 0 GDADLP c1cc(-c2nn[nH]n2)oc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000823780783 599405483 /nfs/dbraw/zinc/40/54/83/599405483.db2.gz WFLWVKYOULLDLO-UHFFFAOYSA-N 2 2 381.484 1.757 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000822195036 599531938 /nfs/dbraw/zinc/53/19/38/599531938.db2.gz DUMWTMOSFSOFPP-HUUCEWRRSA-N 2 2 381.484 1.923 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000822195036 599531940 /nfs/dbraw/zinc/53/19/40/599531940.db2.gz DUMWTMOSFSOFPP-HUUCEWRRSA-N 2 2 381.484 1.923 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330960 607639289 /nfs/dbraw/zinc/63/92/89/607639289.db2.gz OLOFCTFFJJNUEX-SUMWQHHRSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330960 607639291 /nfs/dbraw/zinc/63/92/91/607639291.db2.gz OLOFCTFFJJNUEX-SUMWQHHRSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826243265 607687543 /nfs/dbraw/zinc/68/75/43/607687543.db2.gz BAZHALKOJRLZMH-QGZVFWFLSA-N 2 2 383.500 1.416 20 0 GDADLP Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826243265 607687544 /nfs/dbraw/zinc/68/75/44/607687544.db2.gz BAZHALKOJRLZMH-QGZVFWFLSA-N 2 2 383.500 1.416 20 0 GDADLP C[NH+](C)C[C@](C)(O)CNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21 ZINC000825855044 607738375 /nfs/dbraw/zinc/73/83/75/607738375.db2.gz GHZGRMPUQQCPPK-QGZVFWFLSA-N 2 2 393.398 1.163 20 0 GDADLP CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821621704 606558655 /nfs/dbraw/zinc/55/86/55/606558655.db2.gz CODNXXKCROHZTE-GOSISDBHSA-N 2 2 383.500 1.036 20 0 GDADLP CN(C(=O)Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821621704 606558657 /nfs/dbraw/zinc/55/86/57/606558657.db2.gz CODNXXKCROHZTE-GOSISDBHSA-N 2 2 383.500 1.036 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+]([C@H]4CCOC4)CC3)c2c1 ZINC000826263707 607848883 /nfs/dbraw/zinc/84/88/83/607848883.db2.gz MXVAKJVGDMGKJM-HNNXBMFYSA-N 2 2 379.468 1.943 20 0 GDADLP C[C@@H]1C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985176 608170869 /nfs/dbraw/zinc/17/08/69/608170869.db2.gz SNAJRFKOIINIPP-APWZRJJASA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985176 608170871 /nfs/dbraw/zinc/17/08/71/608170871.db2.gz SNAJRFKOIINIPP-APWZRJJASA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000824952783 608452438 /nfs/dbraw/zinc/45/24/38/608452438.db2.gz ATDJTYHAUICZGZ-RHSMWYFYSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000824952783 608452440 /nfs/dbraw/zinc/45/24/40/608452440.db2.gz ATDJTYHAUICZGZ-RHSMWYFYSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585297 609333675 /nfs/dbraw/zinc/33/36/75/609333675.db2.gz PFZDSTLLXPGWNI-TZMCWYRMSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585297 609333677 /nfs/dbraw/zinc/33/36/77/609333677.db2.gz PFZDSTLLXPGWNI-TZMCWYRMSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000566559769 650855262 /nfs/dbraw/zinc/85/52/62/650855262.db2.gz WLVNQDABNXYPMC-KDOFPFPSSA-N 2 2 397.361 1.623 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C[C@H]2COCC[NH2+]2)s1 ZINC000422721971 646097512 /nfs/dbraw/zinc/09/75/12/646097512.db2.gz WLBPAJIESSFROZ-GJZGRUSLSA-N 2 2 389.587 1.678 20 0 GDADLP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773167 647163627 /nfs/dbraw/zinc/16/36/27/647163627.db2.gz WSAQWJDORRGKPY-VXGBXAGGSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773167 647163628 /nfs/dbraw/zinc/16/36/28/647163628.db2.gz WSAQWJDORRGKPY-VXGBXAGGSA-N 2 2 388.921 1.198 20 0 GDADLP Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617764475 652976398 /nfs/dbraw/zinc/97/63/98/652976398.db2.gz ZDEJMEXENUMRIF-UHFFFAOYSA-N 2 2 383.846 1.863 20 0 GDADLP Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617764475 652976400 /nfs/dbraw/zinc/97/64/00/652976400.db2.gz ZDEJMEXENUMRIF-UHFFFAOYSA-N 2 2 383.846 1.863 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000631259588 653232887 /nfs/dbraw/zinc/23/28/87/653232887.db2.gz WRKWVGGFZZLQML-AWEZNQCLSA-N 2 2 397.317 1.508 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000631259588 653232889 /nfs/dbraw/zinc/23/28/89/653232889.db2.gz WRKWVGGFZZLQML-AWEZNQCLSA-N 2 2 397.317 1.508 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1Cl ZINC000637904217 653531845 /nfs/dbraw/zinc/53/18/45/653531845.db2.gz CMCSMTVWUHPDES-UHFFFAOYSA-N 2 2 387.933 1.532 20 0 GDADLP C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000637929902 653532242 /nfs/dbraw/zinc/53/22/42/653532242.db2.gz ITWHSCHWAPHBHM-ZDUSSCGKSA-N 2 2 390.347 1.870 20 0 GDADLP C[N@H+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[NH+](C)C1 ZINC000637929902 653532244 /nfs/dbraw/zinc/53/22/44/653532244.db2.gz ITWHSCHWAPHBHM-ZDUSSCGKSA-N 2 2 390.347 1.870 20 0 GDADLP C[NH+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000637929902 653532246 /nfs/dbraw/zinc/53/22/46/653532246.db2.gz ITWHSCHWAPHBHM-ZDUSSCGKSA-N 2 2 390.347 1.870 20 0 GDADLP C[NH+](Cc1ccc(S(N)(=O)=O)c(Br)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637929902 653532247 /nfs/dbraw/zinc/53/22/47/653532247.db2.gz ITWHSCHWAPHBHM-ZDUSSCGKSA-N 2 2 390.347 1.870 20 0 GDADLP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000639768017 653552747 /nfs/dbraw/zinc/55/27/47/653552747.db2.gz XEQWSLQJQPHKKN-RDJZCZTQSA-N 2 2 387.318 1.577 20 0 GDADLP C[NH+](C)C[C@@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000639768017 653552748 /nfs/dbraw/zinc/55/27/48/653552748.db2.gz XEQWSLQJQPHKKN-RDJZCZTQSA-N 2 2 387.318 1.577 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1Br ZINC000662488303 654296570 /nfs/dbraw/zinc/29/65/70/654296570.db2.gz MIDQMNWUAJCZQP-INIZCTEOSA-N 2 2 382.302 1.772 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000681729829 654737765 /nfs/dbraw/zinc/73/77/65/654737765.db2.gz CNYVBCGQURFDJN-LBPRGKRZSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000681729829 654737770 /nfs/dbraw/zinc/73/77/70/654737770.db2.gz CNYVBCGQURFDJN-LBPRGKRZSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000801094593 654908569 /nfs/dbraw/zinc/90/85/69/654908569.db2.gz OPUHATXUVBPZSA-GFCCVEGCSA-N 2 2 384.322 1.389 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000801094593 654908574 /nfs/dbraw/zinc/90/85/74/654908574.db2.gz OPUHATXUVBPZSA-GFCCVEGCSA-N 2 2 384.322 1.389 20 0 GDADLP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959518 655362931 /nfs/dbraw/zinc/36/29/31/655362931.db2.gz SIYIDGGGVMHWDL-DZGCQCFKSA-N 2 2 391.559 1.436 20 0 GDADLP COc1cc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1S(=O)(=O)C(F)F ZINC000817979860 655363195 /nfs/dbraw/zinc/36/31/95/655363195.db2.gz FKXBPVYVMBCSDQ-WCQYABFASA-N 2 2 378.441 1.721 20 0 GDADLP CN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000825850637 655494210 /nfs/dbraw/zinc/49/42/10/655494210.db2.gz OVHMDHONJANSHC-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cc(Br)n(C)n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000825850637 655494211 /nfs/dbraw/zinc/49/42/11/655494211.db2.gz OVHMDHONJANSHC-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000865748724 655925902 /nfs/dbraw/zinc/92/59/02/655925902.db2.gz ADDIEKLXQDFCBJ-GFCCVEGCSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1c(Br)c[nH]c(=O)c1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000865748724 655925903 /nfs/dbraw/zinc/92/59/03/655925903.db2.gz ADDIEKLXQDFCBJ-GFCCVEGCSA-N 2 2 397.317 1.756 20 0 GDADLP CS(=O)(=O)N(CC[N@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000872151387 656318920 /nfs/dbraw/zinc/31/89/20/656318920.db2.gz KLWBBUHHMPBYGP-GJZGRUSLSA-N 2 2 379.448 1.517 20 0 GDADLP CS(=O)(=O)N(CC[N@@H+]1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000872151387 656318923 /nfs/dbraw/zinc/31/89/23/656318923.db2.gz KLWBBUHHMPBYGP-GJZGRUSLSA-N 2 2 379.448 1.517 20 0 GDADLP Cc1cc(Br)cn2cc(CCN3C(=O)N[C@H](C[NH+](C)C)C3=O)[nH+]c12 ZINC000924757050 656673287 /nfs/dbraw/zinc/67/32/87/656673287.db2.gz QAIGCDJQUAKPMZ-CYBMUJFWSA-N 2 2 394.273 1.430 20 0 GDADLP Cn1cc(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c(Br)n1 ZINC000880055871 656859962 /nfs/dbraw/zinc/85/99/62/656859962.db2.gz HQPNVDJHTOEVIM-UHFFFAOYSA-N 2 2 399.337 1.863 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(=O)[nH]cc3Br)CC2)CC1 ZINC000931216074 657080931 /nfs/dbraw/zinc/08/09/31/657080931.db2.gz BPXXYAGAYAZCSP-UHFFFAOYSA-N 2 2 397.317 1.838 20 0 GDADLP C[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000931671400 657119266 /nfs/dbraw/zinc/11/92/66/657119266.db2.gz GMCBIGCBLRATGV-CYBMUJFWSA-N 2 2 397.321 1.422 20 0 GDADLP C[N@H+]1CC[C@@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000931671400 657119270 /nfs/dbraw/zinc/11/92/70/657119270.db2.gz GMCBIGCBLRATGV-CYBMUJFWSA-N 2 2 397.321 1.422 20 0 GDADLP Cn1cc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Br)n1 ZINC000883371575 657283824 /nfs/dbraw/zinc/28/38/24/657283824.db2.gz PQAILSLQHPLUES-OAHLLOKOSA-N 2 2 386.338 1.069 20 0 GDADLP CCn1c(Br)ncc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900668678 659132843 /nfs/dbraw/zinc/13/28/43/659132843.db2.gz FOOLGFZRPUADGV-AWEZNQCLSA-N 2 2 398.349 1.906 20 0 GDADLP CCn1c(Br)ncc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900668678 659132848 /nfs/dbraw/zinc/13/28/48/659132848.db2.gz FOOLGFZRPUADGV-AWEZNQCLSA-N 2 2 398.349 1.906 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903934436 659389899 /nfs/dbraw/zinc/38/98/99/659389899.db2.gz HGFHRQWBSLQRRR-CYBMUJFWSA-N 2 2 381.278 1.659 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906465387 659544902 /nfs/dbraw/zinc/54/49/02/659544902.db2.gz JGIQTJMCDMMTNL-ZDUSSCGKSA-N 2 2 386.751 1.782 20 0 GDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1cc3[nH]ccc3c[nH+]1)CC2 ZINC001164703627 719936442 /nfs/dbraw/zinc/93/64/42/719936442.db2.gz LDZSOYYMJPTFOI-UHFFFAOYSA-N 2 2 379.468 1.247 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164865302 720884216 /nfs/dbraw/zinc/88/42/16/720884216.db2.gz ZXXGOZFGYRSWBC-DLBZAZTESA-N 2 2 393.557 1.203 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164865302 720884217 /nfs/dbraw/zinc/88/42/17/720884217.db2.gz ZXXGOZFGYRSWBC-DLBZAZTESA-N 2 2 393.557 1.203 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164773401 721168506 /nfs/dbraw/zinc/16/85/06/721168506.db2.gz WYVXOMORPNJNEQ-ZWKOTPCHSA-N 3 2 396.543 1.096 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@H]3C2)cn1 ZINC001164773401 721168517 /nfs/dbraw/zinc/16/85/17/721168517.db2.gz WYVXOMORPNJNEQ-ZWKOTPCHSA-N 3 2 396.543 1.096 20 0 GDADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c(C)c(C)[nH+]1 ZINC001164873855 721288954 /nfs/dbraw/zinc/28/89/54/721288954.db2.gz BZSKKQFQXSIXSA-UHFFFAOYSA-N 2 2 375.517 1.409 20 0 GDADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c(C)c(C)[nH+]1 ZINC001164873855 721288960 /nfs/dbraw/zinc/28/89/60/721288960.db2.gz BZSKKQFQXSIXSA-UHFFFAOYSA-N 2 2 375.517 1.409 20 0 GDADLP Cc1noc(C[C@@H]2C[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3O2)n1 ZINC001164957845 722041486 /nfs/dbraw/zinc/04/14/86/722041486.db2.gz CIPXCNQKJLMFGJ-ULQDDVLXSA-N 2 2 384.484 1.361 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H]3CCN4C(=O)c3cscn3)[nH+]2)CC1 ZINC001164966369 722065047 /nfs/dbraw/zinc/06/50/47/722065047.db2.gz RPUIJWDQRRZYJS-IAGOWNOFSA-N 2 2 398.536 1.783 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@H]1C ZINC001571271422 945645103 /nfs/dbraw/zinc/64/51/03/945645103.db2.gz CGZPVBNBIHYZOH-DGCLKSJQSA-N 2 2 386.485 1.212 20 0 GDADLP CC(=O)NC1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000823988722 946533378 /nfs/dbraw/zinc/53/33/78/946533378.db2.gz IOIMOOIKOVPISX-UHFFFAOYSA-N 2 2 397.527 1.868 20 0 GDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CCCC1 ZINC000826412670 948252517 /nfs/dbraw/zinc/25/25/17/948252517.db2.gz YFZRWLWTHFOPEY-UHFFFAOYSA-N 2 2 383.500 1.480 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574949067 949481148 /nfs/dbraw/zinc/48/11/48/949481148.db2.gz QDQPLOQPOIXMCG-GFCCVEGCSA-N 2 2 388.501 1.543 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574478163 949700581 /nfs/dbraw/zinc/70/05/81/949700581.db2.gz YCNXKVSEPXIUAQ-HNNXBMFYSA-N 2 2 382.472 1.605 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574478163 949700599 /nfs/dbraw/zinc/70/05/99/949700599.db2.gz YCNXKVSEPXIUAQ-HNNXBMFYSA-N 2 2 382.472 1.605 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283267 949860338 /nfs/dbraw/zinc/86/03/38/949860338.db2.gz DXLITYRKPJWICL-GFCCVEGCSA-N 2 2 377.518 1.205 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283267 949860359 /nfs/dbraw/zinc/86/03/59/949860359.db2.gz DXLITYRKPJWICL-GFCCVEGCSA-N 2 2 377.518 1.205 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203253 950440267 /nfs/dbraw/zinc/44/02/67/950440267.db2.gz FUBFDCBSXHWNHN-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203253 950440280 /nfs/dbraw/zinc/44/02/80/950440280.db2.gz FUBFDCBSXHWNHN-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203253 950440300 /nfs/dbraw/zinc/44/03/00/950440300.db2.gz FUBFDCBSXHWNHN-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203253 950440319 /nfs/dbraw/zinc/44/03/19/950440319.db2.gz FUBFDCBSXHWNHN-DZGCQCFKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574509514 950515798 /nfs/dbraw/zinc/51/57/98/950515798.db2.gz WJKOCJUBRIGXRO-STQMWFEESA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574523864 950836865 /nfs/dbraw/zinc/83/68/65/950836865.db2.gz RMOLWQDCHNPASM-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001575090996 951766157 /nfs/dbraw/zinc/76/61/57/951766157.db2.gz MQWREYHQOVTLAH-IBGZPJMESA-N 2 2 380.456 1.207 20 0 GDADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113744 951944470 /nfs/dbraw/zinc/94/44/70/951944470.db2.gz FGFMQIUWLUUKIS-LSDHHAIUSA-N 2 2 382.472 1.556 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165580 952753898 /nfs/dbraw/zinc/75/38/98/952753898.db2.gz GBMZODXPEDTVAX-BBRMVZONSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165580 952753901 /nfs/dbraw/zinc/75/39/01/952753901.db2.gz GBMZODXPEDTVAX-BBRMVZONSA-N 2 2 380.456 1.302 20 0 GDADLP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1Cl ZINC000236827431 531040634 /nfs/dbraw/zinc/04/06/34/531040634.db2.gz CIASPGBMHFTHHF-HOTGVXAUSA-N 2 2 389.949 1.601 20 0 GDADLP CS(=O)(=O)C1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000262319549 531116296 /nfs/dbraw/zinc/11/62/96/531116296.db2.gz FACHKSVDBJPEQW-CQSZACIVSA-N 2 2 385.555 1.168 20 0 GDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[NH2+]1 ZINC000415425865 531485273 /nfs/dbraw/zinc/48/52/73/531485273.db2.gz DBMZEMSHHXSRGP-NSHDSACASA-N 2 2 383.290 1.270 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658428750 531511073 /nfs/dbraw/zinc/51/10/73/531511073.db2.gz YWXBZTWJACVGSD-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cccc(Cl)c1Cl ZINC000658428750 531511081 /nfs/dbraw/zinc/51/10/81/531511081.db2.gz YWXBZTWJACVGSD-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP O=C(NCCC[NH2+]C1CC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415807384 531534517 /nfs/dbraw/zinc/53/45/17/531534517.db2.gz PVUOVWYYBKUBEI-UHFFFAOYSA-N 2 2 398.305 1.944 20 0 GDADLP COc1nc(N2CC[NH+](CCCc3c[nH+]cn3C)CC2)ncc1Br ZINC000583820247 531598278 /nfs/dbraw/zinc/59/82/78/531598278.db2.gz TWLGKEMNBAUFRW-UHFFFAOYSA-N 2 2 395.305 1.736 20 0 GDADLP CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053895 531609610 /nfs/dbraw/zinc/60/96/10/531609610.db2.gz MCMJMDJKDFWMLJ-CVEARBPZSA-N 2 2 397.317 1.118 20 0 GDADLP CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053895 531609621 /nfs/dbraw/zinc/60/96/21/531609621.db2.gz MCMJMDJKDFWMLJ-CVEARBPZSA-N 2 2 397.317 1.118 20 0 GDADLP C[NH+](C)CCN(Cc1ccsc1)S(=O)(=O)CCC[NH+]1CCOCC1 ZINC000416563774 531677916 /nfs/dbraw/zinc/67/79/16/531677916.db2.gz YWXQEGUTMBNOMF-UHFFFAOYSA-N 2 2 375.560 1.164 20 0 GDADLP COC[C@]1(CNC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCC[NH2+]1 ZINC000417220340 531760438 /nfs/dbraw/zinc/76/04/38/531760438.db2.gz NOKOZXSMIVKXNU-MRXNPFEDSA-N 2 2 396.289 1.665 20 0 GDADLP O=C(NC[C@@H]1CCCC[NH2+]1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000667671773 531783779 /nfs/dbraw/zinc/78/37/79/531783779.db2.gz KIOQUQHDMVUNMA-LBPRGKRZSA-N 2 2 398.305 1.944 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC3CC[NH2+]CC3)[nH+]c12 ZINC000418029606 531799675 /nfs/dbraw/zinc/79/96/75/531799675.db2.gz ZQRATDRVSYVXRM-UHFFFAOYSA-N 2 2 380.290 1.999 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[C@H](C[NH3+])C1 ZINC000669574352 531816666 /nfs/dbraw/zinc/81/66/66/531816666.db2.gz NCKOQTCJPBKWHE-TYNCELHUSA-N 2 2 385.281 1.728 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[C@H](C[NH3+])C1 ZINC000669574352 531816674 /nfs/dbraw/zinc/81/66/74/531816674.db2.gz NCKOQTCJPBKWHE-TYNCELHUSA-N 2 2 385.281 1.728 20 0 GDADLP C[N@@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000647873480 531899515 /nfs/dbraw/zinc/89/95/15/531899515.db2.gz ORDJELSICBSEKU-GFCCVEGCSA-N 2 2 390.709 1.973 20 0 GDADLP C[N@H+]1CCN(C(=O)CCOc2ccc(Cl)cc2Br)[C@H](C[NH3+])C1 ZINC000647873480 531899521 /nfs/dbraw/zinc/89/95/21/531899521.db2.gz ORDJELSICBSEKU-GFCCVEGCSA-N 2 2 390.709 1.973 20 0 GDADLP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000625892910 531918950 /nfs/dbraw/zinc/91/89/50/531918950.db2.gz CWICSGDSJNTTBN-CMPLNLGQSA-N 2 2 384.278 1.553 20 0 GDADLP Cc1cc(S(=O)(=O)NCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)s1 ZINC000655734850 531975838 /nfs/dbraw/zinc/97/58/38/531975838.db2.gz NZVOZHMNRZBWTF-MRXNPFEDSA-N 2 2 387.571 1.486 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000299460251 531992242 /nfs/dbraw/zinc/99/22/42/531992242.db2.gz DBKSGHVTCQFBTK-UHFFFAOYSA-N 2 2 384.322 1.320 20 0 GDADLP COc1c(Br)cccc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000370419309 531987249 /nfs/dbraw/zinc/98/72/49/531987249.db2.gz UUNDPSXXNWPKGI-MRXNPFEDSA-N 2 2 398.345 1.954 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000657072211 531996858 /nfs/dbraw/zinc/99/68/58/531996858.db2.gz XDHUOOFPDVWJAE-LBPRGKRZSA-N 2 2 382.452 1.651 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccc(C(F)(F)F)nc1 ZINC000657072211 531996860 /nfs/dbraw/zinc/99/68/60/531996860.db2.gz XDHUOOFPDVWJAE-LBPRGKRZSA-N 2 2 382.452 1.651 20 0 GDADLP CN(C)c1cc[nH+]cc1C[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000657564759 532010518 /nfs/dbraw/zinc/01/05/18/532010518.db2.gz ZRDBMWISTJBYEI-UHFFFAOYSA-N 2 2 378.274 1.825 20 0 GDADLP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154501 532013162 /nfs/dbraw/zinc/01/31/62/532013162.db2.gz HIWAPCQSZRFFNO-ULQDDVLXSA-N 2 2 387.933 1.335 20 0 GDADLP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154501 532013169 /nfs/dbraw/zinc/01/31/69/532013169.db2.gz HIWAPCQSZRFFNO-ULQDDVLXSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154501 532013175 /nfs/dbraw/zinc/01/31/75/532013175.db2.gz HIWAPCQSZRFFNO-ULQDDVLXSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154501 532013180 /nfs/dbraw/zinc/01/31/80/532013180.db2.gz HIWAPCQSZRFFNO-ULQDDVLXSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000632164778 532016230 /nfs/dbraw/zinc/01/62/30/532016230.db2.gz WGJIYOLQNGAJKM-IRXDYDNUSA-N 2 2 389.949 1.583 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000632164778 532016238 /nfs/dbraw/zinc/01/62/38/532016238.db2.gz WGJIYOLQNGAJKM-IRXDYDNUSA-N 2 2 389.949 1.583 20 0 GDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000374012555 532108255 /nfs/dbraw/zinc/10/82/55/532108255.db2.gz SCKQGSOTXTVJBG-AWEZNQCLSA-N 2 2 398.349 1.835 20 0 GDADLP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333331653 532230214 /nfs/dbraw/zinc/23/02/14/532230214.db2.gz OKSDGTWQPIWKFR-YPMHNXCESA-N 2 2 398.305 1.800 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000430561420 532251561 /nfs/dbraw/zinc/25/15/61/532251561.db2.gz LJTGGOIWKBPDTM-GFCCVEGCSA-N 2 2 388.921 1.342 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC[C@@H]2C[NH3+])c1 ZINC000430561420 532251565 /nfs/dbraw/zinc/25/15/65/532251565.db2.gz LJTGGOIWKBPDTM-GFCCVEGCSA-N 2 2 388.921 1.342 20 0 GDADLP CC(C)[C@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000430561350 532252177 /nfs/dbraw/zinc/25/21/77/532252177.db2.gz KLAJXFHVTDUZPP-CYBMUJFWSA-N 2 2 376.910 1.231 20 0 GDADLP CC(C)[C@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000430561350 532252180 /nfs/dbraw/zinc/25/21/80/532252180.db2.gz KLAJXFHVTDUZPP-CYBMUJFWSA-N 2 2 376.910 1.231 20 0 GDADLP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292169 599356416 /nfs/dbraw/zinc/35/64/16/599356416.db2.gz XKMIBKYNZDSFID-INIZCTEOSA-N 2 2 378.440 1.575 20 0 GDADLP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)o3)cc2)CC1 ZINC000821276402 599406219 /nfs/dbraw/zinc/40/62/19/599406219.db2.gz KVQPFDMEDANCBU-UHFFFAOYSA-N 2 2 381.484 1.887 20 0 GDADLP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)o2)CC1 ZINC000821275690 599406446 /nfs/dbraw/zinc/40/64/46/599406446.db2.gz BZTFTSZEWMTLNC-UHFFFAOYSA-N 2 2 381.484 1.887 20 0 GDADLP COC(=O)C1CC[NH+](CCCNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821654930 599477839 /nfs/dbraw/zinc/47/78/39/599477839.db2.gz AVOFZMJODSJAMB-UHFFFAOYSA-N 2 2 395.467 1.524 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195336 599528996 /nfs/dbraw/zinc/52/89/96/599528996.db2.gz PBIQCWHAPWGJJG-LSDHHAIUSA-N 2 2 381.484 1.975 20 0 GDADLP CN(C)C(=O)CC[NH+]1CCC(Nc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821575894 599546275 /nfs/dbraw/zinc/54/62/75/599546275.db2.gz UGUDNGBSVSRKJC-UHFFFAOYSA-N 2 2 394.483 1.191 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330725 607638661 /nfs/dbraw/zinc/63/86/61/607638661.db2.gz FYCVRDMDXGTDBL-ROUUACIJSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330725 607638664 /nfs/dbraw/zinc/63/86/64/607638664.db2.gz FYCVRDMDXGTDBL-ROUUACIJSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476931 606321911 /nfs/dbraw/zinc/32/19/11/606321911.db2.gz AHROXSCTSPHPSO-ZFWWWQNUSA-N 2 2 398.496 1.876 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476931 606321913 /nfs/dbraw/zinc/32/19/13/606321913.db2.gz AHROXSCTSPHPSO-ZFWWWQNUSA-N 2 2 398.496 1.876 20 0 GDADLP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823505152 606323776 /nfs/dbraw/zinc/32/37/76/606323776.db2.gz YDHADWDAXCJFGG-CYBMUJFWSA-N 2 2 384.469 1.636 20 0 GDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824547128 609143933 /nfs/dbraw/zinc/14/39/33/609143933.db2.gz MSLMHJFUFJAVGY-HOCLYGCPSA-N 2 2 389.479 1.063 20 0 GDADLP [NH2+]=C(NOCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000826388243 609500106 /nfs/dbraw/zinc/50/01/06/609500106.db2.gz OMKRVTQCVBMQOD-SFHVURJKSA-N 2 2 393.451 1.766 20 0 GDADLP [NH2+]=C(NOCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000826388243 609500107 /nfs/dbraw/zinc/50/01/07/609500107.db2.gz OMKRVTQCVBMQOD-SFHVURJKSA-N 2 2 393.451 1.766 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCS[C@H](C(F)(F)F)C3)C2)CC1 ZINC000918907205 660242610 /nfs/dbraw/zinc/24/26/10/660242610.db2.gz WKDATVSIOPEZTJ-OCCSQVGLSA-N 2 2 380.480 1.844 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCS[C@H](C(F)(F)F)C3)C2)CC1 ZINC000918907205 660242611 /nfs/dbraw/zinc/24/26/11/660242611.db2.gz WKDATVSIOPEZTJ-OCCSQVGLSA-N 2 2 380.480 1.844 20 0 GDADLP CC[N@H+](CC[NH3+])CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000629555436 653171978 /nfs/dbraw/zinc/17/19/78/653171978.db2.gz IAMBAUMDLGJNPM-UHFFFAOYSA-N 2 2 376.910 1.200 20 0 GDADLP CC[N@@H+](CC[NH3+])CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000629555436 653171980 /nfs/dbraw/zinc/17/19/80/653171980.db2.gz IAMBAUMDLGJNPM-UHFFFAOYSA-N 2 2 376.910 1.200 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)s1 ZINC000638305512 653537754 /nfs/dbraw/zinc/53/77/54/653537754.db2.gz ZVSNCRVLTWANMI-UHFFFAOYSA-N 2 2 381.523 1.518 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc3cc(Br)ccc3o2)CC1 ZINC000638554735 653539739 /nfs/dbraw/zinc/53/97/39/653539739.db2.gz XLZOYZDELSEFRU-UHFFFAOYSA-N 2 2 381.274 1.844 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000662479411 654296023 /nfs/dbraw/zinc/29/60/23/654296023.db2.gz HWFNXUFDAZWCMB-SJORKVTESA-N 2 2 397.361 1.837 20 0 GDADLP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817958063 655362908 /nfs/dbraw/zinc/36/29/08/655362908.db2.gz GVYHOACEXVJBAG-IUODEOHRSA-N 2 2 377.532 1.046 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000866714703 655956303 /nfs/dbraw/zinc/95/63/03/655956303.db2.gz VNXBHXSNEUSKSX-KMUNFCNLSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000866714703 655956306 /nfs/dbraw/zinc/95/63/06/655956306.db2.gz VNXBHXSNEUSKSX-KMUNFCNLSA-N 2 2 384.249 1.955 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870865887 656250987 /nfs/dbraw/zinc/25/09/87/656250987.db2.gz MRSPUIBVXZHUTH-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000870900796 656254434 /nfs/dbraw/zinc/25/44/34/656254434.db2.gz WTLFRXGSKBFTQM-CJNGLKHVSA-N 2 2 382.302 1.630 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H]1C ZINC000923421553 656551774 /nfs/dbraw/zinc/55/17/74/656551774.db2.gz CSSQUNRABMSQDZ-QKPAOTATSA-N 2 2 375.579 1.436 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H]1C ZINC000923421553 656551778 /nfs/dbraw/zinc/55/17/78/656551778.db2.gz CSSQUNRABMSQDZ-QKPAOTATSA-N 2 2 375.579 1.436 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000876709780 656626262 /nfs/dbraw/zinc/62/62/62/656626262.db2.gz ZXCIOZMPLRGGQL-HZPDHXFCSA-N 2 2 382.302 1.772 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cn(C)nc1Br ZINC000880048500 656858181 /nfs/dbraw/zinc/85/81/81/656858181.db2.gz PZDGPXVBVWNWLW-UHFFFAOYSA-N 2 2 387.326 1.672 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cn(C)nc1Br ZINC000880048500 656858196 /nfs/dbraw/zinc/85/81/96/656858196.db2.gz PZDGPXVBVWNWLW-UHFFFAOYSA-N 2 2 387.326 1.672 20 0 GDADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929780753 656984036 /nfs/dbraw/zinc/98/40/36/656984036.db2.gz HAURXRUCEHGKLO-OAGGEKHMSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929780753 656984041 /nfs/dbraw/zinc/98/40/41/656984041.db2.gz HAURXRUCEHGKLO-OAGGEKHMSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780753 656984044 /nfs/dbraw/zinc/98/40/44/656984044.db2.gz HAURXRUCEHGKLO-OAGGEKHMSA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780753 656984049 /nfs/dbraw/zinc/98/40/49/656984049.db2.gz HAURXRUCEHGKLO-OAGGEKHMSA-N 2 2 375.579 1.402 20 0 GDADLP CC(C)[NH2+]C1CC[NH+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929961055 656993553 /nfs/dbraw/zinc/99/35/53/656993553.db2.gz KOXUYKJNIHMQCH-INIZCTEOSA-N 2 2 375.579 1.450 20 0 GDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884199971 657334375 /nfs/dbraw/zinc/33/43/75/657334375.db2.gz PKDJYTSUXDYNRS-KRWDZBQOSA-N 2 2 397.361 1.839 20 0 GDADLP C[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000884234643 657338397 /nfs/dbraw/zinc/33/83/97/657338397.db2.gz AEPVUMGCSPBGFS-CZUORRHYSA-N 2 2 383.334 1.449 20 0 GDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723561 658952535 /nfs/dbraw/zinc/95/25/35/658952535.db2.gz GIBLRIXIMKZVRG-AWEZNQCLSA-N 2 2 399.333 1.968 20 0 GDADLP C[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@@H]21 ZINC001164671522 719452892 /nfs/dbraw/zinc/45/28/92/719452892.db2.gz PYUVZGSZSDUIIR-OALUTQOASA-N 2 2 398.486 1.462 20 0 GDADLP C[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@@H]21 ZINC001164671522 719452899 /nfs/dbraw/zinc/45/28/99/719452899.db2.gz PYUVZGSZSDUIIR-OALUTQOASA-N 2 2 398.486 1.462 20 0 GDADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809337 720078492 /nfs/dbraw/zinc/07/84/92/720078492.db2.gz JLKQJQQFTHYVGQ-RXVVDRJESA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809337 720078496 /nfs/dbraw/zinc/07/84/96/720078496.db2.gz JLKQJQQFTHYVGQ-RXVVDRJESA-N 2 2 387.528 1.498 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC[C@@H]2C1 ZINC001164858651 720883241 /nfs/dbraw/zinc/88/32/41/720883241.db2.gz LOFKBIDUBPGEHS-IPMKNSEASA-N 2 2 389.544 1.886 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC[C@@H]2C1 ZINC001164858651 720883244 /nfs/dbraw/zinc/88/32/44/720883244.db2.gz LOFKBIDUBPGEHS-IPMKNSEASA-N 2 2 389.544 1.886 20 0 GDADLP CN(C)c1cc[nH+]c(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164916333 721782009 /nfs/dbraw/zinc/78/20/09/721782009.db2.gz QABNOSFOHQHDIU-NRFANRHFSA-N 2 2 383.496 1.650 20 0 GDADLP CN(C)c1cc[nH+]c(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164916333 721782013 /nfs/dbraw/zinc/78/20/13/721782013.db2.gz QABNOSFOHQHDIU-NRFANRHFSA-N 2 2 383.496 1.650 20 0 GDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271372 945642042 /nfs/dbraw/zinc/64/20/42/945642042.db2.gz BATXJACGBRUVIY-RYUDHWBXSA-N 2 2 386.485 1.078 20 0 GDADLP CC[C@H](C(=O)N1CCC(CN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1)[NH+](C)C ZINC001571272032 945654138 /nfs/dbraw/zinc/65/41/38/945654138.db2.gz NGOGZAPEWZQLLX-MRXNPFEDSA-N 2 2 386.504 1.277 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)NC(C)(C)C ZINC000824547008 946788530 /nfs/dbraw/zinc/78/85/30/946788530.db2.gz MFAZESWZEJWIQU-AWEZNQCLSA-N 2 2 385.516 1.724 20 0 GDADLP C[N@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029800 947410219 /nfs/dbraw/zinc/41/02/19/947410219.db2.gz XAYMPAOKCNZMLL-MAUKXSAKSA-N 2 2 383.500 1.636 20 0 GDADLP C[N@@H+](C[C@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029800 947410221 /nfs/dbraw/zinc/41/02/21/947410221.db2.gz XAYMPAOKCNZMLL-MAUKXSAKSA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029800 947410226 /nfs/dbraw/zinc/41/02/26/947410226.db2.gz XAYMPAOKCNZMLL-MAUKXSAKSA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029800 947410228 /nfs/dbraw/zinc/41/02/28/947410228.db2.gz XAYMPAOKCNZMLL-MAUKXSAKSA-N 2 2 383.500 1.636 20 0 GDADLP C[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926441 949001563 /nfs/dbraw/zinc/00/15/63/949001563.db2.gz QIZSWIISDHKIQD-ZDUSSCGKSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926441 949001580 /nfs/dbraw/zinc/00/15/80/949001580.db2.gz QIZSWIISDHKIQD-ZDUSSCGKSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926441 949001585 /nfs/dbraw/zinc/00/15/85/949001585.db2.gz QIZSWIISDHKIQD-ZDUSSCGKSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926441 949001597 /nfs/dbraw/zinc/00/15/97/949001597.db2.gz QIZSWIISDHKIQD-ZDUSSCGKSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926714 949017374 /nfs/dbraw/zinc/01/73/74/949017374.db2.gz VRGWMWSPHFGKPV-CYBMUJFWSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CCCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926714 949017393 /nfs/dbraw/zinc/01/73/93/949017393.db2.gz VRGWMWSPHFGKPV-CYBMUJFWSA-N 2 2 375.452 1.038 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263778 949408645 /nfs/dbraw/zinc/40/86/45/949408645.db2.gz JKJCGRBFSOILCC-SJCJKPOMSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263778 949408655 /nfs/dbraw/zinc/40/86/55/949408655.db2.gz JKJCGRBFSOILCC-SJCJKPOMSA-N 2 2 387.463 1.037 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575282477 949837976 /nfs/dbraw/zinc/83/79/76/949837976.db2.gz BVRKQMYCVGDXBG-CYBMUJFWSA-N 2 2 389.479 1.283 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575282477 949838001 /nfs/dbraw/zinc/83/80/01/949838001.db2.gz BVRKQMYCVGDXBG-CYBMUJFWSA-N 2 2 389.479 1.283 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574484243 949868846 /nfs/dbraw/zinc/86/88/46/949868846.db2.gz WLJUKEKWDXYMCV-HOCLYGCPSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493016 950113777 /nfs/dbraw/zinc/11/37/77/950113777.db2.gz QRNQJIGCYAQWHD-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574493016 950113791 /nfs/dbraw/zinc/11/37/91/950113791.db2.gz QRNQJIGCYAQWHD-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575904682 950281116 /nfs/dbraw/zinc/28/11/16/950281116.db2.gz AHFRRWQMILMRGP-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502152 950360111 /nfs/dbraw/zinc/36/01/11/950360111.db2.gz JRWNVGDFTUSAGH-ZBFHGGJFSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574502152 950360132 /nfs/dbraw/zinc/36/01/32/950360132.db2.gz JRWNVGDFTUSAGH-ZBFHGGJFSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205805 950537907 /nfs/dbraw/zinc/53/79/07/950537907.db2.gz PRUCXKFRLNGQHA-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205805 950537921 /nfs/dbraw/zinc/53/79/21/950537921.db2.gz PRUCXKFRLNGQHA-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205805 950537941 /nfs/dbraw/zinc/53/79/41/950537941.db2.gz PRUCXKFRLNGQHA-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576205805 950537971 /nfs/dbraw/zinc/53/79/71/950537971.db2.gz PRUCXKFRLNGQHA-ZIAGYGMSSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574518959 950665506 /nfs/dbraw/zinc/66/55/06/950665506.db2.gz SCLMRFINNIHSRN-AVGNSLFASA-N 2 2 386.485 1.513 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH]c[nH+]1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575078238 951678886 /nfs/dbraw/zinc/67/88/86/951678886.db2.gz KEAYULRSKYBJDH-GFCCVEGCSA-N 2 2 386.435 1.204 20 0 GDADLP C[C@H](CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001575098166 951821630 /nfs/dbraw/zinc/82/16/30/951821630.db2.gz BSFHSKRNFFBLRD-OLZOCXBDSA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575104431 951886603 /nfs/dbraw/zinc/88/66/03/951886603.db2.gz CHWATVQYCGORNN-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107148 951912730 /nfs/dbraw/zinc/91/27/30/951912730.db2.gz AACQLJNHUIVFLY-KBRIMQKVSA-N 2 2 394.483 1.246 20 0 GDADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165582 952753238 /nfs/dbraw/zinc/75/32/38/952753238.db2.gz GBMZODXPEDTVAX-CZUORRHYSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165582 952753243 /nfs/dbraw/zinc/75/32/43/952753243.db2.gz GBMZODXPEDTVAX-CZUORRHYSA-N 2 2 380.456 1.302 20 0 GDADLP COc1nc(N2CC[NH+](CCCn3cc[nH+]c3C)CC2)ncc1Br ZINC000163232871 530574449 /nfs/dbraw/zinc/57/44/49/530574449.db2.gz YEGMQOPSSXQHJO-UHFFFAOYSA-N 2 2 395.305 1.965 20 0 GDADLP COc1ccc(Cl)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000181064130 530777369 /nfs/dbraw/zinc/77/73/69/530777369.db2.gz RGYPOYZFCLFXDO-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP COc1ccc(Cl)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000181064130 530777370 /nfs/dbraw/zinc/77/73/70/530777370.db2.gz RGYPOYZFCLFXDO-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2sccc2Br)CN1CC[NH+]1CCOCC1 ZINC000185037553 530835623 /nfs/dbraw/zinc/83/56/23/530835623.db2.gz LXCRFIBFFDFFPL-LBPRGKRZSA-N 2 2 388.331 1.533 20 0 GDADLP C[C@@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126179012 531015745 /nfs/dbraw/zinc/01/57/45/531015745.db2.gz VFCZMDIAJMTBGC-MQNRADLISA-N 2 2 383.583 1.873 20 0 GDADLP C[C@@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126179012 531015748 /nfs/dbraw/zinc/01/57/48/531015748.db2.gz VFCZMDIAJMTBGC-MQNRADLISA-N 2 2 383.583 1.873 20 0 GDADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@H](C)C1 ZINC000130541176 531062385 /nfs/dbraw/zinc/06/23/85/531062385.db2.gz RBYAYIJCQJQORD-OCCSQVGLSA-N 2 2 386.484 1.167 20 0 GDADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@H](C)C1 ZINC000130541176 531062387 /nfs/dbraw/zinc/06/23/87/531062387.db2.gz RBYAYIJCQJQORD-OCCSQVGLSA-N 2 2 386.484 1.167 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129308730 531049253 /nfs/dbraw/zinc/04/92/53/531049253.db2.gz RBKOGQZAKVOYBF-WBVHZDCISA-N 2 2 399.329 1.843 20 0 GDADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261768741 531098460 /nfs/dbraw/zinc/09/84/60/531098460.db2.gz WQHAGODTBFOSIZ-MRXNPFEDSA-N 2 2 395.345 1.387 20 0 GDADLP Cc1nn(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Br ZINC000261791567 531099407 /nfs/dbraw/zinc/09/94/07/531099407.db2.gz YYXCZGTXFZYCSY-KBPBESRZSA-N 2 2 398.349 1.571 20 0 GDADLP Cc1nn(C)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1Br ZINC000261791567 531099411 /nfs/dbraw/zinc/09/94/11/531099411.db2.gz YYXCZGTXFZYCSY-KBPBESRZSA-N 2 2 398.349 1.571 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155321444 531199387 /nfs/dbraw/zinc/19/93/87/531199387.db2.gz HQXXPTXQYXEXGZ-UKRRQHHQSA-N 2 2 386.338 1.566 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000155321444 531199388 /nfs/dbraw/zinc/19/93/88/531199388.db2.gz HQXXPTXQYXEXGZ-UKRRQHHQSA-N 2 2 386.338 1.566 20 0 GDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2I)[C@@H](C[NH3+])C1 ZINC000519529611 531212811 /nfs/dbraw/zinc/21/28/11/531212811.db2.gz XYSOOSGBPJTYKJ-JTQLQIEISA-N 2 2 392.216 1.537 20 0 GDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2I)[C@@H](C[NH3+])C1 ZINC000519529611 531212815 /nfs/dbraw/zinc/21/28/15/531212815.db2.gz XYSOOSGBPJTYKJ-JTQLQIEISA-N 2 2 392.216 1.537 20 0 GDADLP CN1CC[N@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276732268 531224763 /nfs/dbraw/zinc/22/47/63/531224763.db2.gz QWLAEQNRKUGUBZ-KRWDZBQOSA-N 2 2 397.361 1.621 20 0 GDADLP CN1CC[N@@H+](C)C[C@@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000276732268 531224767 /nfs/dbraw/zinc/22/47/67/531224767.db2.gz QWLAEQNRKUGUBZ-KRWDZBQOSA-N 2 2 397.361 1.621 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254259 531223500 /nfs/dbraw/zinc/22/35/00/531223500.db2.gz QEYDIVLWXYOAJX-WFASDCNBSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ccc(Br)c4cccnc34)CCN2C1=O ZINC000520254259 531223506 /nfs/dbraw/zinc/22/35/06/531223506.db2.gz QEYDIVLWXYOAJX-WFASDCNBSA-N 2 2 375.270 1.741 20 0 GDADLP COCC1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[NH2+]CC1 ZINC000479194070 531357224 /nfs/dbraw/zinc/35/72/24/531357224.db2.gz WRJYRUKDOHCRHT-UHFFFAOYSA-N 2 2 381.274 1.729 20 0 GDADLP Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)cc1Br ZINC000658428738 531511144 /nfs/dbraw/zinc/51/11/44/531511144.db2.gz YSHNWNJWKPABLO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)cc1Br ZINC000658428738 531511147 /nfs/dbraw/zinc/51/11/47/531511147.db2.gz YSHNWNJWKPABLO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP OC[C@H]1CSCC[NH+]1Cc1cc(C[N@H+]2CCSC[C@@H]2CO)ccc1F ZINC000450637604 531503070 /nfs/dbraw/zinc/50/30/70/531503070.db2.gz HBIGYSIBWSHKIX-IRXDYDNUSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@H]1CSCC[NH+]1Cc1cc(C[N@@H+]2CCSC[C@@H]2CO)ccc1F ZINC000450637604 531503081 /nfs/dbraw/zinc/50/30/81/531503081.db2.gz HBIGYSIBWSHKIX-IRXDYDNUSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@H]1CSCC[NH+]1Cc1ccc(F)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000450637604 531503087 /nfs/dbraw/zinc/50/30/87/531503087.db2.gz HBIGYSIBWSHKIX-IRXDYDNUSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@H]1CSCC[NH+]1Cc1ccc(F)c(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000450637604 531503095 /nfs/dbraw/zinc/50/30/95/531503095.db2.gz HBIGYSIBWSHKIX-IRXDYDNUSA-N 2 2 386.558 1.645 20 0 GDADLP CO[C@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)[C@@H](C[NH3+])C1 ZINC000415786034 531529646 /nfs/dbraw/zinc/52/96/46/531529646.db2.gz HXYUFRIRMBYHFG-MNOVXSKESA-N 2 2 386.294 1.880 20 0 GDADLP Brc1cnc2c(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)cnn2c1 ZINC000637870492 531637853 /nfs/dbraw/zinc/63/78/53/531637853.db2.gz SYAFDSHTJNRAPI-UHFFFAOYSA-N 2 2 393.333 1.705 20 0 GDADLP C[N@@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000662430168 531677622 /nfs/dbraw/zinc/67/76/22/531677622.db2.gz VKSUODKVEUYAGX-INIZCTEOSA-N 2 2 381.318 1.764 20 0 GDADLP C[N@H+]1CCN(C(=O)c2cc(Br)cc(N3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000662430168 531677630 /nfs/dbraw/zinc/67/76/30/531677630.db2.gz VKSUODKVEUYAGX-INIZCTEOSA-N 2 2 381.318 1.764 20 0 GDADLP [NH3+][C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1Br ZINC000638986297 531680565 /nfs/dbraw/zinc/68/05/65/531680565.db2.gz ZZPNPOPLMVHMOQ-MRXNPFEDSA-N 3 2 390.285 1.892 20 0 GDADLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178563 531685366 /nfs/dbraw/zinc/68/53/66/531685366.db2.gz MKQAGEOFLJAJQM-BXUZGUMPSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178563 531685368 /nfs/dbraw/zinc/68/53/68/531685368.db2.gz MKQAGEOFLJAJQM-BXUZGUMPSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178563 531685374 /nfs/dbraw/zinc/68/53/74/531685374.db2.gz MKQAGEOFLJAJQM-BXUZGUMPSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178563 531685379 /nfs/dbraw/zinc/68/53/79/531685379.db2.gz MKQAGEOFLJAJQM-BXUZGUMPSA-N 2 2 390.347 1.869 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@@H]3C[NH2+]CCCO3)[nH+]c12 ZINC000563583930 531854631 /nfs/dbraw/zinc/85/46/31/531854631.db2.gz FXVHRRWCUNRLSD-AWEZNQCLSA-N 2 2 396.289 1.583 20 0 GDADLP CN(Cc1c[nH+]c[nH]1)C(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595961041 531896952 /nfs/dbraw/zinc/89/69/52/531896952.db2.gz IFEPATDABWJBNB-UHFFFAOYSA-N 2 2 388.234 1.951 20 0 GDADLP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781961 531912988 /nfs/dbraw/zinc/91/29/88/531912988.db2.gz IRRUPGMPRVITCG-ZDUSSCGKSA-N 2 2 397.317 1.530 20 0 GDADLP COCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000569474444 531921823 /nfs/dbraw/zinc/92/18/23/531921823.db2.gz FKXFGLDUQCHCHH-JKSUJKDBSA-N 2 2 387.318 1.889 20 0 GDADLP COCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000569474444 531921832 /nfs/dbraw/zinc/92/18/32/531921832.db2.gz FKXFGLDUQCHCHH-JKSUJKDBSA-N 2 2 387.318 1.889 20 0 GDADLP CN(C(=O)C(=O)Nc1cscc1Cl)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635121385 532058979 /nfs/dbraw/zinc/05/89/79/532058979.db2.gz AVRZXZAWBXEJGB-ZDUSSCGKSA-N 2 2 384.933 1.967 20 0 GDADLP CN(C(=O)C(=O)Nc1cscc1Cl)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635121385 532058984 /nfs/dbraw/zinc/05/89/84/532058984.db2.gz AVRZXZAWBXEJGB-ZDUSSCGKSA-N 2 2 384.933 1.967 20 0 GDADLP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065681 /nfs/dbraw/zinc/06/56/81/532065681.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 2 399.329 1.950 20 0 GDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065682 /nfs/dbraw/zinc/06/56/82/532065682.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 2 399.329 1.950 20 0 GDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065683 /nfs/dbraw/zinc/06/56/83/532065683.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 2 399.329 1.950 20 0 GDADLP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccc(Br)cc2)C1 ZINC000579731020 532065684 /nfs/dbraw/zinc/06/56/84/532065684.db2.gz YPIFASHXBZIXDN-BBWFWOEESA-N 2 2 399.329 1.950 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428036007 532196546 /nfs/dbraw/zinc/19/65/46/532196546.db2.gz QMDKIQYCGMZUQB-YOEHRIQHSA-N 2 2 396.329 1.970 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428036007 532196550 /nfs/dbraw/zinc/19/65/50/532196550.db2.gz QMDKIQYCGMZUQB-YOEHRIQHSA-N 2 2 396.329 1.970 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2ccc(C(F)(F)F)s2)CN1CC[NH+]1CCOCC1 ZINC000428862239 532218322 /nfs/dbraw/zinc/21/83/22/532218322.db2.gz MTOCUMFNKXDMJP-LBPRGKRZSA-N 2 2 377.432 1.790 20 0 GDADLP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333316736 532229934 /nfs/dbraw/zinc/22/99/34/532229934.db2.gz MLIUDQROIPRMMO-YPMHNXCESA-N 2 2 398.305 1.800 20 0 GDADLP C[C@](C[NH3+])([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000430555141 532251991 /nfs/dbraw/zinc/25/19/91/532251991.db2.gz RWIZKXGPFAQJNL-MRXNPFEDSA-N 2 2 383.290 1.221 20 0 GDADLP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238016376 570419681 /nfs/dbraw/zinc/41/96/81/570419681.db2.gz DYQJRNLUFOMUPR-KDOFPFPSSA-N 2 2 389.496 1.921 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736852109 598968968 /nfs/dbraw/zinc/96/89/68/598968968.db2.gz NLRRFHOJZPOCJF-ZDUSSCGKSA-N 2 2 379.472 1.390 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3c4ccccc4nnc3-c3nn[nH]n3)C2)CC1 ZINC000736852109 598968970 /nfs/dbraw/zinc/96/89/70/598968970.db2.gz NLRRFHOJZPOCJF-ZDUSSCGKSA-N 2 2 379.472 1.390 20 0 GDADLP C[N@H+](CCCO)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736796871 599078203 /nfs/dbraw/zinc/07/82/03/599078203.db2.gz CNIFCWTYYJRKOX-UHFFFAOYSA-N 2 2 393.517 1.035 20 0 GDADLP C[N@@H+](CCCO)C1CC[NH+](CCC(=O)Nc2sccc2-c2nn[nH]n2)CC1 ZINC000736796871 599078206 /nfs/dbraw/zinc/07/82/06/599078206.db2.gz CNIFCWTYYJRKOX-UHFFFAOYSA-N 2 2 393.517 1.035 20 0 GDADLP C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855376 598516297 /nfs/dbraw/zinc/51/62/97/598516297.db2.gz GIBJUSKNNBMKGO-KRWDZBQOSA-N 2 2 398.515 1.036 20 0 GDADLP C[N@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855376 598516299 /nfs/dbraw/zinc/51/62/99/598516299.db2.gz GIBJUSKNNBMKGO-KRWDZBQOSA-N 2 2 398.515 1.036 20 0 GDADLP O[C@]1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@H+](Cc2ccccc2)C1 ZINC000823698489 607484872 /nfs/dbraw/zinc/48/48/72/607484872.db2.gz QLFQSDFCYMPHRT-FQEVSTJZSA-N 2 2 382.443 1.732 20 0 GDADLP O[C@]1(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC[N@@H+](Cc2ccccc2)C1 ZINC000823698489 607484875 /nfs/dbraw/zinc/48/48/75/607484875.db2.gz QLFQSDFCYMPHRT-FQEVSTJZSA-N 2 2 382.443 1.732 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331005 607528238 /nfs/dbraw/zinc/52/82/38/607528238.db2.gz PJGQPEIVGVERRF-MRXNPFEDSA-N 2 2 394.439 1.026 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CC(=O)N(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826331005 607528239 /nfs/dbraw/zinc/52/82/39/607528239.db2.gz PJGQPEIVGVERRF-MRXNPFEDSA-N 2 2 394.439 1.026 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330800 607638738 /nfs/dbraw/zinc/63/87/38/607638738.db2.gz IPWVPWVWNPBVTM-UKRRQHHQSA-N 2 2 398.496 1.703 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330800 607638740 /nfs/dbraw/zinc/63/87/40/607638740.db2.gz IPWVPWVWNPBVTM-UKRRQHHQSA-N 2 2 398.496 1.703 20 0 GDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825856227 607753654 /nfs/dbraw/zinc/75/36/54/607753654.db2.gz SAPLSIKBUCNXDW-OAQYLSRUSA-N 2 2 396.495 1.848 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ccc(-c2nn[nH]n2)cn1 ZINC000821622103 606200174 /nfs/dbraw/zinc/20/01/74/606200174.db2.gz RWPGVPJPWQDXQJ-UHFFFAOYSA-N 2 2 384.532 1.894 20 0 GDADLP C[NH+](C)CCOc1cc(CNc2c(-c3nn[nH]n3)c[nH+]c3ccccc32)ccn1 ZINC000825870156 608100381 /nfs/dbraw/zinc/10/03/81/608100381.db2.gz BVZXQPYYYHLLEL-UHFFFAOYSA-N 2 2 390.451 1.784 20 0 GDADLP Cn1cc(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361476 609338872 /nfs/dbraw/zinc/33/88/72/609338872.db2.gz YEGSBIYTZSXSKM-ROUUACIJSA-N 2 2 394.483 1.220 20 0 GDADLP Cn1cc(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361476 609338873 /nfs/dbraw/zinc/33/88/73/609338873.db2.gz YEGSBIYTZSXSKM-ROUUACIJSA-N 2 2 394.483 1.220 20 0 GDADLP C[C@@H](Cn1cc(Br)ccc1=O)Nc1ccc(N2CC[NH2+]CC2)c[nH+]1 ZINC000567462134 650905403 /nfs/dbraw/zinc/90/54/03/650905403.db2.gz GWDWWGALNONHJU-ZDUSSCGKSA-N 2 2 392.301 1.916 20 0 GDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)NCC(=O)Nc1ccccc1Br ZINC000420357825 645941598 /nfs/dbraw/zinc/94/15/98/645941598.db2.gz HVABPCBMEZHDNG-CQSZACIVSA-N 2 2 397.317 1.482 20 0 GDADLP O=S(=O)(NCCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000423095078 646112172 /nfs/dbraw/zinc/11/21/72/646112172.db2.gz DDGZIYYSAIIVHV-DOTOQJQBSA-N 2 2 387.933 1.365 20 0 GDADLP Cc1[nH+]ccc(NC2CC[NH+](CCS(C)(=O)=O)CC2)c1Br ZINC000892441441 658327196 /nfs/dbraw/zinc/32/71/96/658327196.db2.gz QBMNTYNZRDLLAR-UHFFFAOYSA-N 2 2 376.320 1.495 20 0 GDADLP CN(CCC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1)CC[NH+](C)C ZINC000575165827 651587259 /nfs/dbraw/zinc/58/72/59/651587259.db2.gz IDEJMBYYBKNOAV-INIZCTEOSA-N 2 2 385.350 1.791 20 0 GDADLP CN(CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1)CC[NH+](C)C ZINC000575165827 651587264 /nfs/dbraw/zinc/58/72/64/651587264.db2.gz IDEJMBYYBKNOAV-INIZCTEOSA-N 2 2 385.350 1.791 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000621866252 652999621 /nfs/dbraw/zinc/99/96/21/652999621.db2.gz OQUIFBRHTOQROF-GFCCVEGCSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Br)c[nH]c3=O)C2)CC1 ZINC000621866252 652999622 /nfs/dbraw/zinc/99/96/22/652999622.db2.gz OQUIFBRHTOQROF-GFCCVEGCSA-N 2 2 383.290 1.448 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780436 653655110 /nfs/dbraw/zinc/65/51/10/653655110.db2.gz JBPXHEXJCFAEOW-UKRRQHHQSA-N 2 2 398.349 1.881 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780436 653655111 /nfs/dbraw/zinc/65/51/11/653655111.db2.gz JBPXHEXJCFAEOW-UKRRQHHQSA-N 2 2 398.349 1.881 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1Br ZINC000662492102 654297147 /nfs/dbraw/zinc/29/71/47/654297147.db2.gz QGTPHICXGJIDJZ-CJNGLKHVSA-N 2 2 382.302 1.630 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1)N1CCOCC1 ZINC000677236719 654663614 /nfs/dbraw/zinc/66/36/14/654663614.db2.gz UFIATWYDNNXKMA-CABCVRRESA-N 2 2 385.555 1.485 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1)N1CCOCC1 ZINC000677236719 654663618 /nfs/dbraw/zinc/66/36/18/654663618.db2.gz UFIATWYDNNXKMA-CABCVRRESA-N 2 2 385.555 1.485 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000683619919 654780417 /nfs/dbraw/zinc/78/04/17/654780417.db2.gz IEKHVVBLCSESFL-NSHDSACASA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc[nH]c(=O)c3Br)C2)CC1 ZINC000683619919 654780419 /nfs/dbraw/zinc/78/04/19/654780419.db2.gz IEKHVVBLCSESFL-NSHDSACASA-N 2 2 383.290 1.448 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000684553389 654799002 /nfs/dbraw/zinc/79/90/02/654799002.db2.gz PHAMXNBMLRKXDY-GOEBONIOSA-N 2 2 383.334 1.901 20 0 GDADLP CC(C)[C@H](CNS(=O)(=O)CCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000766031686 655256422 /nfs/dbraw/zinc/25/64/22/655256422.db2.gz YHNRYFRCZLOOPL-SFHVURJKSA-N 2 2 375.579 1.385 20 0 GDADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000819077862 655384776 /nfs/dbraw/zinc/38/47/76/655384776.db2.gz PMJNGOCRGGIVPX-CRAIPNDOSA-N 2 2 398.345 1.479 20 0 GDADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000925566135 656714856 /nfs/dbraw/zinc/71/48/56/656714856.db2.gz DVKGHOGQPUPARB-GXTWGEPZSA-N 2 2 390.265 1.761 20 0 GDADLP CN(C(=O)c1cc(=O)[nH]cc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932578297 657201252 /nfs/dbraw/zinc/20/12/52/657201252.db2.gz VURADNKOJGHRCP-ZDUSSCGKSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1cc(=O)[nH]cc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932578297 657201262 /nfs/dbraw/zinc/20/12/62/657201262.db2.gz VURADNKOJGHRCP-ZDUSSCGKSA-N 2 2 397.317 1.790 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234363 657338182 /nfs/dbraw/zinc/33/81/82/657338182.db2.gz RNNXPZOWLRZQLD-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP C[C@]1(Br)C[C@H]1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892749921 658347607 /nfs/dbraw/zinc/34/76/07/658347607.db2.gz HGXCDNIJVXRNEV-YOEHRIQHSA-N 2 2 381.318 1.883 20 0 GDADLP CC(C)S(=O)(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894787505 658612935 /nfs/dbraw/zinc/61/29/35/658612935.db2.gz PSWKMLGJLYHGNU-UHFFFAOYSA-N 2 2 378.441 1.983 20 0 GDADLP CCn1c(Br)ncc1C(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000900674251 659134849 /nfs/dbraw/zinc/13/48/49/659134849.db2.gz KHCHTBKSGFQACJ-GFCCVEGCSA-N 2 2 384.322 1.564 20 0 GDADLP CCn1c(Br)ncc1C(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000900674251 659134856 /nfs/dbraw/zinc/13/48/56/659134856.db2.gz KHCHTBKSGFQACJ-GFCCVEGCSA-N 2 2 384.322 1.564 20 0 GDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c([nH+]1)CCC3)CC2 ZINC001164708727 719902589 /nfs/dbraw/zinc/90/25/89/719902589.db2.gz JDDAPCIOOBEERZ-UHFFFAOYSA-N 2 2 380.496 1.254 20 0 GDADLP Cc1cc2[nH]ccc2c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)[nH+]1 ZINC001164709213 719910988 /nfs/dbraw/zinc/91/09/88/719910988.db2.gz QPFPNQATZXHQGO-UHFFFAOYSA-N 2 2 393.495 1.555 20 0 GDADLP COc1cc[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)c1 ZINC001164823639 720432602 /nfs/dbraw/zinc/43/26/02/720432602.db2.gz INIJMABRJMCIQG-MRXNPFEDSA-N 2 2 387.484 1.276 20 0 GDADLP Cc1c[nH+]c(N2Cc3ncn(C)c3[C@H](COCC[NH+]3CCOCC3)C2)cc1C ZINC001164831161 720474800 /nfs/dbraw/zinc/47/48/00/720474800.db2.gz NALMJBLJSDDKCM-SFHVURJKSA-N 2 2 385.512 1.885 20 0 GDADLP COCCN1CCN(c2cccc(N3CC[NH+](C)CC3)[nH+]2)Cc2cccnc21 ZINC001164886225 721368922 /nfs/dbraw/zinc/36/89/22/721368922.db2.gz LVFSAVGGAWYIAQ-UHFFFAOYSA-N 2 2 382.512 1.701 20 0 GDADLP CC(C)N1C[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824296875 946647461 /nfs/dbraw/zinc/64/74/61/946647461.db2.gz LPPZCAGOYQJHII-GOSISDBHSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824428439 946704976 /nfs/dbraw/zinc/70/49/76/946704976.db2.gz RXUJTTWGFYFUPD-INIZCTEOSA-N 2 2 385.516 1.141 20 0 GDADLP C[C@@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC000824428527 946706272 /nfs/dbraw/zinc/70/62/72/946706272.db2.gz SNPSWHGFLUZSSQ-AWEZNQCLSA-N 2 2 377.456 1.890 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H]1CN(C)CCO1 ZINC000824547866 946790844 /nfs/dbraw/zinc/79/08/44/946790844.db2.gz TVMZQFLUSJJHNS-HNAYVOBHSA-N 2 2 385.516 1.140 20 0 GDADLP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824626063 946870446 /nfs/dbraw/zinc/87/04/46/946870446.db2.gz LRLLQAMQVLOTJM-HNNXBMFYSA-N 2 2 378.484 1.864 20 0 GDADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000824670590 946889729 /nfs/dbraw/zinc/88/97/29/946889729.db2.gz RWPRXQZUBGWVQB-HXUWFJFHSA-N 2 2 382.468 1.921 20 0 GDADLP COCC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159313 947503189 /nfs/dbraw/zinc/50/31/89/947503189.db2.gz AWXVLYBAPAAVRZ-LJQANCHMSA-N 2 2 385.516 1.141 20 0 GDADLP COCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826159313 947503202 /nfs/dbraw/zinc/50/32/02/947503202.db2.gz AWXVLYBAPAAVRZ-LJQANCHMSA-N 2 2 385.516 1.141 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918477 948844340 /nfs/dbraw/zinc/84/43/40/948844340.db2.gz LCAXEOAZRRMBJH-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574918477 948844356 /nfs/dbraw/zinc/84/43/56/948844356.db2.gz LCAXEOAZRRMBJH-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574716126 949682738 /nfs/dbraw/zinc/68/27/38/949682738.db2.gz MWPQAVXFTITYHW-CABCVRRESA-N 2 2 382.472 1.651 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959817 949721415 /nfs/dbraw/zinc/72/14/15/949721415.db2.gz UONNHDWXNXPKKZ-IAOVAPTHSA-N 2 2 394.483 1.340 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574959817 949721428 /nfs/dbraw/zinc/72/14/28/949721428.db2.gz UONNHDWXNXPKKZ-IAOVAPTHSA-N 2 2 394.483 1.340 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574481406 949779637 /nfs/dbraw/zinc/77/96/37/949779637.db2.gz PJUGADHSXCBAID-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574481980 949812600 /nfs/dbraw/zinc/81/26/00/949812600.db2.gz YHYUZYPNUTYWRQ-CHWSQXEVSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285930 949962495 /nfs/dbraw/zinc/96/24/95/949962495.db2.gz RWRRJNMCEGGQOJ-LBPRGKRZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285930 949962512 /nfs/dbraw/zinc/96/25/12/949962512.db2.gz RWRRJNMCEGGQOJ-LBPRGKRZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576202878 950437812 /nfs/dbraw/zinc/43/78/12/950437812.db2.gz DNTTUZBGSWQQGL-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001576202878 950437826 /nfs/dbraw/zinc/43/78/26/950437826.db2.gz DNTTUZBGSWQQGL-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001576202878 950437843 /nfs/dbraw/zinc/43/78/43/950437843.db2.gz DNTTUZBGSWQQGL-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001576202878 950437860 /nfs/dbraw/zinc/43/78/60/950437860.db2.gz DNTTUZBGSWQQGL-UONOGXRCSA-N 2 2 389.479 1.284 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576206911 950581031 /nfs/dbraw/zinc/58/10/31/950581031.db2.gz ZPSWWRUAWJWTKU-GOSISDBHSA-N 2 2 383.500 1.289 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576206911 950581051 /nfs/dbraw/zinc/58/10/51/950581051.db2.gz ZPSWWRUAWJWTKU-GOSISDBHSA-N 2 2 383.500 1.289 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574522198 950795008 /nfs/dbraw/zinc/79/50/08/950795008.db2.gz JJCPAFFJJIOUDE-QWHCGFSZSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574523865 950834849 /nfs/dbraw/zinc/83/48/49/950834849.db2.gz RMOLWQDCHNPASM-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574524134 950847523 /nfs/dbraw/zinc/84/75/23/950847523.db2.gz UCKZVPIZIBWWKF-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cn1cc[nH+]c1 ZINC001574524471 950860705 /nfs/dbraw/zinc/86/07/05/950860705.db2.gz WVAMWPHOQJTJNL-STQMWFEESA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574771571 950926703 /nfs/dbraw/zinc/92/67/03/950926703.db2.gz GRUUYBYBZMMFNT-WBMJQRKESA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574771571 950926719 /nfs/dbraw/zinc/92/67/19/950926719.db2.gz GRUUYBYBZMMFNT-WBMJQRKESA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574771571 950926736 /nfs/dbraw/zinc/92/67/36/950926736.db2.gz GRUUYBYBZMMFNT-WBMJQRKESA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574771571 950926747 /nfs/dbraw/zinc/92/67/47/950926747.db2.gz GRUUYBYBZMMFNT-WBMJQRKESA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001575099030 951828486 /nfs/dbraw/zinc/82/84/86/951828486.db2.gz HKINZEGKKHCGSN-LBPRGKRZSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001575101039 951852367 /nfs/dbraw/zinc/85/23/67/951852367.db2.gz XZMFSRWQODHRHS-LLVKDONJSA-N 2 2 388.501 1.566 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001571251981 953321998 /nfs/dbraw/zinc/32/19/98/953321998.db2.gz DNBCHPLHZGCARY-UHFFFAOYSA-N 2 2 384.488 1.173 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC001571251981 953322001 /nfs/dbraw/zinc/32/20/01/953322001.db2.gz DNBCHPLHZGCARY-UHFFFAOYSA-N 2 2 384.488 1.173 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571252590 953330730 /nfs/dbraw/zinc/33/07/30/953330730.db2.gz QOPXJTJVIJVYAK-PBHICJAKSA-N 2 2 384.488 1.173 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571252590 953330733 /nfs/dbraw/zinc/33/07/33/953330733.db2.gz QOPXJTJVIJVYAK-PBHICJAKSA-N 2 2 384.488 1.173 20 0 GDADLP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CC[NH+]([C@H](C)CC(=O)[O-])CC3)CC2)CC1 ZINC001354059477 962707392 /nfs/dbraw/zinc/70/73/92/962707392.db2.gz SKGBSJZDFDEILV-QGZVFWFLSA-N 2 2 394.560 1.190 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000175233668 530661100 /nfs/dbraw/zinc/66/11/00/530661100.db2.gz DBYXFPPONBALPF-QZTJIDSGSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000175233668 530661103 /nfs/dbraw/zinc/66/11/03/530661103.db2.gz DBYXFPPONBALPF-QZTJIDSGSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000175233668 530661106 /nfs/dbraw/zinc/66/11/06/530661106.db2.gz DBYXFPPONBALPF-QZTJIDSGSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000175233668 530661107 /nfs/dbraw/zinc/66/11/07/530661107.db2.gz DBYXFPPONBALPF-QZTJIDSGSA-N 2 2 375.579 1.529 20 0 GDADLP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@H]1COCC[NH2+]1 ZINC000236686515 531039238 /nfs/dbraw/zinc/03/92/38/531039238.db2.gz RYHJFYKDNWMDEC-MRXNPFEDSA-N 2 2 382.302 1.518 20 0 GDADLP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccccc1Cl ZINC000236879460 531040907 /nfs/dbraw/zinc/04/09/07/531040907.db2.gz CIASPGBMHFTHHF-JKSUJKDBSA-N 2 2 389.949 1.601 20 0 GDADLP C[C@H]([C@H](C)NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000261870228 531101699 /nfs/dbraw/zinc/10/16/99/531101699.db2.gz XUDSYJDMIWWONR-OGHNNQOOSA-N 2 2 384.318 1.848 20 0 GDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709818 531234776 /nfs/dbraw/zinc/23/47/76/531234776.db2.gz GMKRZWVPPOGTGA-ZFWWWQNUSA-N 2 2 399.333 1.807 20 0 GDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709818 531234777 /nfs/dbraw/zinc/23/47/77/531234777.db2.gz GMKRZWVPPOGTGA-ZFWWWQNUSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709818 531234778 /nfs/dbraw/zinc/23/47/78/531234778.db2.gz GMKRZWVPPOGTGA-ZFWWWQNUSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709818 531234779 /nfs/dbraw/zinc/23/47/79/531234779.db2.gz GMKRZWVPPOGTGA-ZFWWWQNUSA-N 2 2 399.333 1.807 20 0 GDADLP Cc1c(Br)cc(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)c(=O)n1C ZINC000277544729 531291970 /nfs/dbraw/zinc/29/19/70/531291970.db2.gz XDLLZFUHSQVJCS-UHFFFAOYSA-N 2 2 399.333 1.212 20 0 GDADLP C[N@H+](CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000536523165 531452080 /nfs/dbraw/zinc/45/20/80/531452080.db2.gz VWJWIQJEZOXHAY-JKSUJKDBSA-N 2 2 382.599 1.590 20 0 GDADLP C[N@@H+](CC(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000536523165 531452084 /nfs/dbraw/zinc/45/20/84/531452084.db2.gz VWJWIQJEZOXHAY-JKSUJKDBSA-N 2 2 382.599 1.590 20 0 GDADLP C[N@H+](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000536523163 531452114 /nfs/dbraw/zinc/45/21/14/531452114.db2.gz VWJWIQJEZOXHAY-HOTGVXAUSA-N 2 2 382.599 1.590 20 0 GDADLP C[N@@H+](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CCSC1 ZINC000536523163 531452118 /nfs/dbraw/zinc/45/21/18/531452118.db2.gz VWJWIQJEZOXHAY-HOTGVXAUSA-N 2 2 382.599 1.590 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000658429256 531510794 /nfs/dbraw/zinc/51/07/94/531510794.db2.gz UXGRXKZNNRMLAL-UHFFFAOYSA-N 2 2 376.835 1.556 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000658429256 531510800 /nfs/dbraw/zinc/51/08/00/531510800.db2.gz UXGRXKZNNRMLAL-UHFFFAOYSA-N 2 2 376.835 1.556 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]CC2(C[NH+]3CCOCC3)CCCCC2)s1 ZINC000638740366 531666279 /nfs/dbraw/zinc/66/62/79/531666279.db2.gz RTYPWRKOHKYGOU-UHFFFAOYSA-N 2 2 387.571 1.768 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1C ZINC000562825632 531782772 /nfs/dbraw/zinc/78/27/72/531782772.db2.gz RXMGQOYAVSGDDA-CYBMUJFWSA-N 2 2 383.543 1.491 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H]2CCc3ccc(I)cc32)CC1 ZINC000595010951 531865083 /nfs/dbraw/zinc/86/50/83/531865083.db2.gz AEJRMTLOUCLUGW-HNNXBMFYSA-N 2 2 399.276 1.642 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566244705 531882710 /nfs/dbraw/zinc/88/27/10/531882710.db2.gz XAUNPJGTKVAGRT-OAHLLOKOSA-N 2 2 385.295 1.462 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566244705 531882716 /nfs/dbraw/zinc/88/27/16/531882716.db2.gz XAUNPJGTKVAGRT-OAHLLOKOSA-N 2 2 385.295 1.462 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554117 531905776 /nfs/dbraw/zinc/90/57/76/531905776.db2.gz IVWFDICQVGCTME-QGZVFWFLSA-N 2 2 399.329 1.985 20 0 GDADLP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CS1 ZINC000655716725 531974829 /nfs/dbraw/zinc/97/48/29/531974829.db2.gz YITFKFFVRYSKSO-WBVHZDCISA-N 2 2 383.583 1.996 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600726420 532053153 /nfs/dbraw/zinc/05/31/53/532053153.db2.gz LGNMSUSEEYHSCO-HLTSFMKQSA-N 2 2 378.317 1.222 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600726420 532053159 /nfs/dbraw/zinc/05/31/59/532053159.db2.gz LGNMSUSEEYHSCO-HLTSFMKQSA-N 2 2 378.317 1.222 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423103868 532072391 /nfs/dbraw/zinc/07/23/91/532072391.db2.gz LOMOXRKLEIBNBI-RYUDHWBXSA-N 2 2 396.340 1.628 20 0 GDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430969887 532258250 /nfs/dbraw/zinc/25/82/50/532258250.db2.gz HGEINFNHDILYJZ-GFCCVEGCSA-N 2 2 383.290 1.045 20 0 GDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430969887 532258253 /nfs/dbraw/zinc/25/82/53/532258253.db2.gz HGEINFNHDILYJZ-GFCCVEGCSA-N 2 2 383.290 1.045 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000275313799 532285996 /nfs/dbraw/zinc/28/59/96/532285996.db2.gz RWCPMWVSBBUYHU-QGZVFWFLSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)CC1 ZINC000275313799 532286000 /nfs/dbraw/zinc/28/60/00/532286000.db2.gz RWCPMWVSBBUYHU-QGZVFWFLSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2cn3ccc(Br)cc3n2)CC1 ZINC000289563729 532328324 /nfs/dbraw/zinc/32/83/24/532328324.db2.gz RGTZOUHQHXVLQM-UHFFFAOYSA-N 2 2 380.290 1.351 20 0 GDADLP Cn1ncc(Br)c1C[NH+]1CCC(C(=O)N2CC[NH+](C)CC2)CC1 ZINC000289657122 532330159 /nfs/dbraw/zinc/33/01/59/532330159.db2.gz CMNZZGRQPWYNJU-UHFFFAOYSA-N 2 2 384.322 1.169 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735652810 599094711 /nfs/dbraw/zinc/09/47/11/599094711.db2.gz SDKSQMHJWHVNKH-YOEHRIQHSA-N 2 2 394.483 1.492 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NCC(C)(C)[NH+]3CCOCC3)c2c1 ZINC000737248501 599257140 /nfs/dbraw/zinc/25/71/40/599257140.db2.gz HJNJCQRNQSOHKK-UHFFFAOYSA-N 2 2 381.484 1.976 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736707368 598355099 /nfs/dbraw/zinc/35/50/99/598355099.db2.gz XYUOIENCPSLEKG-INIZCTEOSA-N 2 2 380.456 1.901 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736707368 598355101 /nfs/dbraw/zinc/35/51/01/598355101.db2.gz XYUOIENCPSLEKG-INIZCTEOSA-N 2 2 380.456 1.901 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500068 598355841 /nfs/dbraw/zinc/35/58/41/598355841.db2.gz NJXWIFNMCIXPQF-IRXDYDNUSA-N 2 2 383.456 1.448 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500068 598355843 /nfs/dbraw/zinc/35/58/43/598355843.db2.gz NJXWIFNMCIXPQF-IRXDYDNUSA-N 2 2 383.456 1.448 20 0 GDADLP c1nn2cc(C[NH2+]C3CC[NH+](Cc4ccccc4)CC3)cnc2c1-c1nn[nH]n1 ZINC000738433184 598492854 /nfs/dbraw/zinc/49/28/54/598492854.db2.gz QKAXJSVUIGVSAZ-UHFFFAOYSA-N 2 2 389.467 1.664 20 0 GDADLP CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853692 598743610 /nfs/dbraw/zinc/74/36/10/598743610.db2.gz ZOHMSINNICSIKU-GOSISDBHSA-N 2 2 383.500 1.036 20 0 GDADLP CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853692 598743612 /nfs/dbraw/zinc/74/36/12/598743612.db2.gz ZOHMSINNICSIKU-GOSISDBHSA-N 2 2 383.500 1.036 20 0 GDADLP CC(C)OC(=O)CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820142044 599569442 /nfs/dbraw/zinc/56/94/42/599569442.db2.gz DRJGDPHYMGYADU-UHFFFAOYSA-N 2 2 395.467 1.879 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410419 607478701 /nfs/dbraw/zinc/47/87/01/607478701.db2.gz MPGKNDAGYUOGMJ-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410419 607478702 /nfs/dbraw/zinc/47/87/02/607478702.db2.gz MPGKNDAGYUOGMJ-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410419 607478703 /nfs/dbraw/zinc/47/87/03/607478703.db2.gz MPGKNDAGYUOGMJ-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410419 607478704 /nfs/dbraw/zinc/47/87/04/607478704.db2.gz MPGKNDAGYUOGMJ-MJGOQNOKSA-N 2 2 395.511 1.432 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330801 607638838 /nfs/dbraw/zinc/63/88/38/607638838.db2.gz IPWVPWVWNPBVTM-ZFWWWQNUSA-N 2 2 398.496 1.703 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330801 607638840 /nfs/dbraw/zinc/63/88/40/607638840.db2.gz IPWVPWVWNPBVTM-ZFWWWQNUSA-N 2 2 398.496 1.703 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822477233 606617534 /nfs/dbraw/zinc/61/75/34/606617534.db2.gz JSZOSMKOHYQMIP-KRWDZBQOSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822477233 606617536 /nfs/dbraw/zinc/61/75/36/606617536.db2.gz JSZOSMKOHYQMIP-KRWDZBQOSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822477619 606622089 /nfs/dbraw/zinc/62/20/89/606622089.db2.gz NGGJOOJBHSYSOS-KRWDZBQOSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822477619 606622091 /nfs/dbraw/zinc/62/20/91/606622091.db2.gz NGGJOOJBHSYSOS-KRWDZBQOSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478038 606622547 /nfs/dbraw/zinc/62/25/47/606622547.db2.gz PCZQLHYHPZUXGI-OAHLLOKOSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478038 606622549 /nfs/dbraw/zinc/62/25/49/606622549.db2.gz PCZQLHYHPZUXGI-OAHLLOKOSA-N 2 2 380.456 1.865 20 0 GDADLP C[C@@H](C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045296 650304080 /nfs/dbraw/zinc/30/40/80/650304080.db2.gz LOEPPWGATJBDMS-YESZJQIVSA-N 2 2 376.563 1.257 20 0 GDADLP C[C@@H](C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)CS(C)(=O)=O ZINC000538045296 650304086 /nfs/dbraw/zinc/30/40/86/650304086.db2.gz LOEPPWGATJBDMS-YESZJQIVSA-N 2 2 376.563 1.257 20 0 GDADLP CS[C@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000539492630 650335769 /nfs/dbraw/zinc/33/57/69/650335769.db2.gz FVZDLBYVGDYWIW-GJZGRUSLSA-N 2 2 383.587 1.655 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)s1 ZINC000422721973 646098121 /nfs/dbraw/zinc/09/81/21/646098121.db2.gz WLBPAJIESSFROZ-LSDHHAIUSA-N 2 2 389.587 1.678 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)s1 ZINC000422931254 646100447 /nfs/dbraw/zinc/10/04/47/646100447.db2.gz BIPQMLMZKRFGJH-ZIAGYGMSSA-N 2 2 375.560 1.635 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000613553319 652958605 /nfs/dbraw/zinc/95/86/05/652958605.db2.gz YTPOJKLTEDLDNH-KBPBESRZSA-N 2 2 382.302 1.438 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844012 653258677 /nfs/dbraw/zinc/25/86/77/653258677.db2.gz UKPWAQDHJIGHMD-VXGBXAGGSA-N 2 2 383.290 1.030 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C[C@H]1C[NH3+] ZINC000631844012 653258678 /nfs/dbraw/zinc/25/86/78/653258678.db2.gz UKPWAQDHJIGHMD-VXGBXAGGSA-N 2 2 383.290 1.030 20 0 GDADLP C[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655696757 653990499 /nfs/dbraw/zinc/99/04/99/653990499.db2.gz KHVBSDMNTGQCKF-JKSUJKDBSA-N 2 2 384.571 1.407 20 0 GDADLP CSc1nnc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682127160 654748765 /nfs/dbraw/zinc/74/87/65/654748765.db2.gz XKXGAUUPALFPOL-ZDUSSCGKSA-N 2 2 384.575 1.570 20 0 GDADLP CSc1nnc(CNC(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682127160 654748769 /nfs/dbraw/zinc/74/87/69/654748769.db2.gz XKXGAUUPALFPOL-ZDUSSCGKSA-N 2 2 384.575 1.570 20 0 GDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000684553391 654798958 /nfs/dbraw/zinc/79/89/58/654798958.db2.gz PHAMXNBMLRKXDY-HOCLYGCPSA-N 2 2 383.334 1.901 20 0 GDADLP Ic1cnnn1C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000849352965 655522501 /nfs/dbraw/zinc/52/25/01/655522501.db2.gz UEWAXAJKJKZFPR-LLVKDONJSA-N 2 2 375.258 1.519 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)[C@H](O)c1c[nH+]c[nH]1 ZINC000865041188 655910618 /nfs/dbraw/zinc/91/06/18/655910618.db2.gz NRIWUZHIIRLZEZ-OAHLLOKOSA-N 2 2 381.274 1.796 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000865442671 655919970 /nfs/dbraw/zinc/91/99/70/655919970.db2.gz QMYFXNUNBSGGOQ-HNNXBMFYSA-N 2 2 399.333 1.885 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000865442671 655919973 /nfs/dbraw/zinc/91/99/73/655919973.db2.gz QMYFXNUNBSGGOQ-HNNXBMFYSA-N 2 2 399.333 1.885 20 0 GDADLP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)CC1 ZINC000870884591 656251679 /nfs/dbraw/zinc/25/16/79/656251679.db2.gz AVOCCHZAZUXVIN-RDJZCZTQSA-N 2 2 395.345 1.734 20 0 GDADLP COc1c(Br)cccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257094 656321598 /nfs/dbraw/zinc/32/15/98/656321598.db2.gz LAKKQPMCOACGGZ-CFVMTHIKSA-N 2 2 396.285 1.825 20 0 GDADLP COc1c(Br)cccc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257094 656321601 /nfs/dbraw/zinc/32/16/01/656321601.db2.gz LAKKQPMCOACGGZ-CFVMTHIKSA-N 2 2 396.285 1.825 20 0 GDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873275044 656390170 /nfs/dbraw/zinc/39/01/70/656390170.db2.gz BOQISSYJYNTSAT-WCFLWFBJSA-N 2 2 390.269 1.271 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cccc(Br)c1 ZINC000876755012 656628261 /nfs/dbraw/zinc/62/82/61/656628261.db2.gz XBFAOVLGUVCANG-OAGGEKHMSA-N 2 2 382.302 1.507 20 0 GDADLP O=C(c1ncc(Br)s1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905294261 659441326 /nfs/dbraw/zinc/44/13/26/659441326.db2.gz AEXZBLQYILZPRH-TXEJJXNPSA-N 2 2 385.331 1.946 20 0 GDADLP O=C(c1ncc(Br)s1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905294261 659441329 /nfs/dbraw/zinc/44/13/29/659441329.db2.gz AEXZBLQYILZPRH-TXEJJXNPSA-N 2 2 385.331 1.946 20 0 GDADLP O=C(c1cccnc1N1CCC[C@@H]2[NH2+]C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164450745 718997644 /nfs/dbraw/zinc/99/76/44/718997644.db2.gz ZSWYLLMRQQYEEK-LEWJYISDSA-N 2 2 391.519 1.980 20 0 GDADLP O=C(c1cccnc1N1CCC[C@H]2[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164450747 718998058 /nfs/dbraw/zinc/99/80/58/718998058.db2.gz ZSWYLLMRQQYEEK-RTWAWAEBSA-N 2 2 391.519 1.980 20 0 GDADLP C[NH+]1CCN(c2ccc(N3CCc4onc(Cn5cc[nH+]c5)c4C3)nn2)CC1 ZINC001164676829 719562815 /nfs/dbraw/zinc/56/28/15/719562815.db2.gz GNZYUIGFMUQYNC-UHFFFAOYSA-N 2 2 380.456 1.024 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@@H]3CC(=O)N4Cc3cccnc3)[nH+]2)CC1 ZINC001164690810 719768656 /nfs/dbraw/zinc/76/86/56/719768656.db2.gz IOWXUDYQMHDIKW-OALUTQOASA-N 2 2 392.507 1.608 20 0 GDADLP CCN1C(=O)[C@]2(CC[C@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]32)N=C1C ZINC001164871677 721230722 /nfs/dbraw/zinc/23/07/22/721230722.db2.gz KHMKFHAGYAJSDA-NPPFBWRTSA-N 2 2 396.539 1.699 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001165007563 721695974 /nfs/dbraw/zinc/69/59/74/721695974.db2.gz FUEUQWHKKZEDMO-UHFFFAOYSA-N 2 2 399.547 1.070 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1ccc(N3CC[NH+](C)CC3)nn1)C2 ZINC001165007563 721695981 /nfs/dbraw/zinc/69/59/81/721695981.db2.gz FUEUQWHKKZEDMO-UHFFFAOYSA-N 2 2 399.547 1.070 20 0 GDADLP Cc1c[nH+]c2n1CCN(C)C21CCN(c2ccc(OC3CC[NH2+]CC3)nn2)CC1 ZINC001164918696 721819266 /nfs/dbraw/zinc/81/92/66/721819266.db2.gz RKCTVTVCXJSSEB-UHFFFAOYSA-N 2 2 397.527 1.553 20 0 GDADLP Cc1cnn(CC[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)c1 ZINC000737448143 945071393 /nfs/dbraw/zinc/07/13/93/945071393.db2.gz LMXBUAYDZUFHLG-UHFFFAOYSA-N 2 2 389.467 1.742 20 0 GDADLP CC(C)[C@@H](CNc1c(-c2nn[nH]n2)c[nH+]c2ccccc21)[NH+]1CCN(C)CC1 ZINC000820020131 945331347 /nfs/dbraw/zinc/33/13/47/945331347.db2.gz CAAVQKWVUYHSOO-GOSISDBHSA-N 2 2 380.500 1.521 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1C ZINC001571271421 945644216 /nfs/dbraw/zinc/64/42/16/945644216.db2.gz CGZPVBNBIHYZOH-AAEUAGOBSA-N 2 2 386.485 1.212 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281885 945820668 /nfs/dbraw/zinc/82/06/68/945820668.db2.gz BMWZPBZMPXCLCP-NVXWUHKLSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281885 945820676 /nfs/dbraw/zinc/82/06/76/945820676.db2.gz BMWZPBZMPXCLCP-NVXWUHKLSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281885 945820687 /nfs/dbraw/zinc/82/06/87/945820687.db2.gz BMWZPBZMPXCLCP-NVXWUHKLSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281885 945820705 /nfs/dbraw/zinc/82/07/05/945820705.db2.gz BMWZPBZMPXCLCP-NVXWUHKLSA-N 2 2 387.463 1.181 20 0 GDADLP CC1(C)CN(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824807314 946939383 /nfs/dbraw/zinc/93/93/83/946939383.db2.gz IDTPSBKJQYFCCW-UHFFFAOYSA-N 2 2 399.543 1.532 20 0 GDADLP Cn1cc(C[NH2+]CCC[NH+]2CCC(O)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361545 948131690 /nfs/dbraw/zinc/13/16/90/948131690.db2.gz BUVOXQAZHKTLLX-UHFFFAOYSA-N 2 2 396.499 1.204 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574481407 949777698 /nfs/dbraw/zinc/77/76/98/949777698.db2.gz PJUGADHSXCBAID-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575904685 950281204 /nfs/dbraw/zinc/28/12/04/950281204.db2.gz AHFRRWQMILMRGP-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575908871 950382807 /nfs/dbraw/zinc/38/28/07/950382807.db2.gz WOBLBCVZWUHFTH-TZMCWYRMSA-N 2 2 386.485 1.294 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576206226 950567177 /nfs/dbraw/zinc/56/71/77/950567177.db2.gz VQUSZKOOFYMILM-CQSZACIVSA-N 2 2 389.529 1.351 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576206226 950567186 /nfs/dbraw/zinc/56/71/86/950567186.db2.gz VQUSZKOOFYMILM-CQSZACIVSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165670 952753013 /nfs/dbraw/zinc/75/30/13/952753013.db2.gz HKJIGMRTBNZHFX-XJKSGUPXSA-N 2 2 380.456 1.017 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171925 952799238 /nfs/dbraw/zinc/79/92/38/952799238.db2.gz IOPSHBNJZVWDMC-QGZVFWFLSA-N 2 2 380.456 1.234 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571171925 952799245 /nfs/dbraw/zinc/79/92/45/952799245.db2.gz IOPSHBNJZVWDMC-QGZVFWFLSA-N 2 2 380.456 1.234 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000261764092 531098706 /nfs/dbraw/zinc/09/87/06/531098706.db2.gz WBFAQBWDFWVRAL-WMLDXEAASA-N 2 2 395.345 1.606 20 0 GDADLP C[N@H+]([C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](CCO)CC1 ZINC000432954698 531214022 /nfs/dbraw/zinc/21/40/22/531214022.db2.gz JATNANLWFSRKEU-QGZVFWFLSA-N 2 2 396.329 1.943 20 0 GDADLP C[N@@H+]([C@@H]1CCN(c2cccc(Br)c2)C1=O)C1CC[NH+](CCO)CC1 ZINC000432954698 531214025 /nfs/dbraw/zinc/21/40/25/531214025.db2.gz JATNANLWFSRKEU-QGZVFWFLSA-N 2 2 396.329 1.943 20 0 GDADLP [NH3+]C1CC[NH+](CCCC(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000433168764 531217319 /nfs/dbraw/zinc/21/73/19/531217319.db2.gz OIECTJRGKLCQGG-UHFFFAOYSA-N 3 2 394.317 1.916 20 0 GDADLP O=C1C[N@H+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CCN1 ZINC000409717224 531261670 /nfs/dbraw/zinc/26/16/70/531261670.db2.gz PBGARPZGLRQCFL-UHFFFAOYSA-N 2 2 381.249 1.792 20 0 GDADLP O=C1C[N@@H+](CCCNc2cc[nH+]c3c(Br)ccc(F)c23)CCN1 ZINC000409717224 531261674 /nfs/dbraw/zinc/26/16/74/531261674.db2.gz PBGARPZGLRQCFL-UHFFFAOYSA-N 2 2 381.249 1.792 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000486431049 531451139 /nfs/dbraw/zinc/45/11/39/531451139.db2.gz BVWNANHFTXBICJ-OAHLLOKOSA-N 2 2 399.276 1.687 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000486431049 531451142 /nfs/dbraw/zinc/45/11/42/531451142.db2.gz BVWNANHFTXBICJ-OAHLLOKOSA-N 2 2 399.276 1.687 20 0 GDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)CC[NH2+]1 ZINC000415425864 531484987 /nfs/dbraw/zinc/48/49/87/531484987.db2.gz DBMZEMSHHXSRGP-LLVKDONJSA-N 2 2 383.290 1.270 20 0 GDADLP C[C@@H](CCC[NH3+])NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415798516 531532946 /nfs/dbraw/zinc/53/29/46/531532946.db2.gz ATMZLBANLGVUJN-NSHDSACASA-N 2 2 386.294 1.930 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CCN2C1=O ZINC000583883644 531601949 /nfs/dbraw/zinc/60/19/49/531601949.db2.gz XDYGXBZZMVZDPF-KGLIPLIRSA-N 2 2 391.269 1.848 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)[NH+]1CCOCC1 ZINC000662368116 531673526 /nfs/dbraw/zinc/67/35/26/531673526.db2.gz KMELYRORGQRVHW-HZPDHXFCSA-N 2 2 384.318 1.922 20 0 GDADLP CC[N@@H+]1CCO[C@@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000504925718 531711584 /nfs/dbraw/zinc/71/15/84/531711584.db2.gz VSJRDKSQSVDZOQ-CQSZACIVSA-N 2 2 381.274 1.742 20 0 GDADLP CC[N@H+]1CCO[C@@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000504925718 531711591 /nfs/dbraw/zinc/71/15/91/531711591.db2.gz VSJRDKSQSVDZOQ-CQSZACIVSA-N 2 2 381.274 1.742 20 0 GDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C[C@H]12 ZINC000417208259 531759294 /nfs/dbraw/zinc/75/92/94/531759294.db2.gz BMWGKXQIOBJZMX-LEWSCRJBSA-N 2 2 378.274 1.976 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417227433 531761656 /nfs/dbraw/zinc/76/16/56/531761656.db2.gz VJGLMZJOMXQINZ-NSHDSACASA-N 2 2 388.216 1.893 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C ZINC000367697373 531855274 /nfs/dbraw/zinc/85/52/74/531855274.db2.gz LAVKJFCWWRUQLK-WWTUQBGBSA-N 2 2 398.349 1.707 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2CC(=O)N(C)C ZINC000367697373 531855278 /nfs/dbraw/zinc/85/52/78/531855278.db2.gz LAVKJFCWWRUQLK-WWTUQBGBSA-N 2 2 398.349 1.707 20 0 GDADLP CCC[NH2+]CCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419039008 531885873 /nfs/dbraw/zinc/88/58/73/531885873.db2.gz GOXHJBWJHIRBOD-UHFFFAOYSA-N 2 2 396.289 1.137 20 0 GDADLP C[C@@H](C[NH2+]C[C@@H](O)COc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000567605776 531899921 /nfs/dbraw/zinc/89/99/21/531899921.db2.gz DWMYEDYNBHBXBS-GOEBONIOSA-N 2 2 387.318 1.747 20 0 GDADLP [NH3+]C[C@@H](NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC1 ZINC000568736245 531915956 /nfs/dbraw/zinc/91/59/56/531915956.db2.gz KRWPKFOEFQRSKS-GFCCVEGCSA-N 2 2 384.278 1.540 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000657071524 531997405 /nfs/dbraw/zinc/99/74/05/531997405.db2.gz OTPKISDGXIJKFS-LBPRGKRZSA-N 2 2 382.452 1.651 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cnccc1C(F)(F)F ZINC000657071524 531997410 /nfs/dbraw/zinc/99/74/10/531997410.db2.gz OTPKISDGXIJKFS-LBPRGKRZSA-N 2 2 382.452 1.651 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)C[C@@H]1COCC[NH2+]1 ZINC000423104975 532071955 /nfs/dbraw/zinc/07/19/55/532071955.db2.gz HVCYEOXSGQSLFP-UKRRQHHQSA-N 2 2 375.922 1.283 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000425402841 532137916 /nfs/dbraw/zinc/13/79/16/532137916.db2.gz HOSULHQJUWPKRH-UHFFFAOYSA-N 2 2 387.571 1.543 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333335945 532230074 /nfs/dbraw/zinc/23/00/74/532230074.db2.gz OYPVILCKVUZLBX-TXEJJXNPSA-N 2 2 396.289 1.364 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430623547 532253713 /nfs/dbraw/zinc/25/37/13/532253713.db2.gz HDKZWQKATMAZQP-CHWSQXEVSA-N 2 2 397.317 1.563 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430623547 532253716 /nfs/dbraw/zinc/25/37/16/532253716.db2.gz HDKZWQKATMAZQP-CHWSQXEVSA-N 2 2 397.317 1.563 20 0 GDADLP COCC[C@]1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[NH2+]C1 ZINC000431068545 532259371 /nfs/dbraw/zinc/25/93/71/532259371.db2.gz YSEADOHAXSBHJQ-MRXNPFEDSA-N 2 2 381.274 1.729 20 0 GDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405367595 532306475 /nfs/dbraw/zinc/30/64/75/532306475.db2.gz HJIDTVPYZBUDTM-JGGQBBKZSA-N 2 2 384.318 1.922 20 0 GDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@@H](C)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405367595 532306480 /nfs/dbraw/zinc/30/64/80/532306480.db2.gz HJIDTVPYZBUDTM-JGGQBBKZSA-N 2 2 384.318 1.922 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000822333082 599051005 /nfs/dbraw/zinc/05/10/05/599051005.db2.gz VVBRIHFNMQQMQN-OAHLLOKOSA-N 2 2 379.468 1.882 20 0 GDADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000737745403 599074074 /nfs/dbraw/zinc/07/40/74/599074074.db2.gz YFRBHTSHFJUABE-GUYCJALGSA-N 2 2 378.440 1.222 20 0 GDADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000737745403 599074077 /nfs/dbraw/zinc/07/40/77/599074077.db2.gz YFRBHTSHFJUABE-GUYCJALGSA-N 2 2 378.440 1.222 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737498068 598355650 /nfs/dbraw/zinc/35/56/50/598355650.db2.gz CQZWPQATTCNFSY-QGZVFWFLSA-N 2 2 380.456 1.325 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000737498068 598355652 /nfs/dbraw/zinc/35/56/52/598355652.db2.gz CQZWPQATTCNFSY-QGZVFWFLSA-N 2 2 380.456 1.325 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502929 598368207 /nfs/dbraw/zinc/36/82/07/598368207.db2.gz PFMRSCPOHMQFKD-QZTJIDSGSA-N 2 2 392.467 1.814 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502929 598368208 /nfs/dbraw/zinc/36/82/08/598368208.db2.gz PFMRSCPOHMQFKD-QZTJIDSGSA-N 2 2 392.467 1.814 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(Nc3ccc(Cl)c(-c4nn[nH]n4)n3)CC2)CC1 ZINC000736851718 598578606 /nfs/dbraw/zinc/57/86/06/598578606.db2.gz KWZLAOGFIGJZAY-UHFFFAOYSA-N 2 2 376.896 1.886 20 0 GDADLP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860793 598618085 /nfs/dbraw/zinc/61/80/85/598618085.db2.gz WLBCZIMGCIRAKF-SFHVURJKSA-N 2 2 385.516 1.347 20 0 GDADLP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860793 598618086 /nfs/dbraw/zinc/61/80/86/598618086.db2.gz WLBCZIMGCIRAKF-SFHVURJKSA-N 2 2 385.516 1.347 20 0 GDADLP C[N@H+](CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21)C1CC1 ZINC000736801433 598746153 /nfs/dbraw/zinc/74/61/53/598746153.db2.gz UQTQKGYUMOCHOS-UHFFFAOYSA-N 2 2 375.383 1.944 20 0 GDADLP C[N@@H+](CCNc1c(-c2nn[nH]n2)c[nH+]c2ccc(OC(F)F)cc21)C1CC1 ZINC000736801433 598746154 /nfs/dbraw/zinc/74/61/54/598746154.db2.gz UQTQKGYUMOCHOS-UHFFFAOYSA-N 2 2 375.383 1.944 20 0 GDADLP C[C@@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+]1CCCCCC1 ZINC000819857811 599310969 /nfs/dbraw/zinc/31/09/69/599310969.db2.gz VOMMNNXZAFRUQE-KRWDZBQOSA-N 2 2 397.527 1.775 20 0 GDADLP COc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCOCC3)c2)cc1-c1nn[nH]n1 ZINC000821818056 599407304 /nfs/dbraw/zinc/40/73/04/599407304.db2.gz JQQVXDBKHKYZDI-UHFFFAOYSA-N 2 2 394.479 1.997 20 0 GDADLP OC1(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)CCOCC1 ZINC000823696810 607381452 /nfs/dbraw/zinc/38/14/52/607381452.db2.gz HGXCOPPPELDAAW-UHFFFAOYSA-N 2 2 395.467 1.078 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477100 606617216 /nfs/dbraw/zinc/61/72/16/606617216.db2.gz GIKFPZQLQOGPOX-IAGOWNOFSA-N 2 2 383.456 1.276 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477100 606617218 /nfs/dbraw/zinc/61/72/18/606617218.db2.gz GIKFPZQLQOGPOX-IAGOWNOFSA-N 2 2 383.456 1.276 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822478112 606621944 /nfs/dbraw/zinc/62/19/44/606621944.db2.gz QUNFIGJFGPCARU-QGZVFWFLSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822478112 606621945 /nfs/dbraw/zinc/62/19/45/606621945.db2.gz QUNFIGJFGPCARU-QGZVFWFLSA-N 2 2 380.456 1.865 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC000821621815 606684201 /nfs/dbraw/zinc/68/42/01/606684201.db2.gz HLIJSUADNHSIII-LBPRGKRZSA-N 2 2 391.426 1.043 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC000821621815 606684202 /nfs/dbraw/zinc/68/42/02/606684202.db2.gz HLIJSUADNHSIII-LBPRGKRZSA-N 2 2 391.426 1.043 20 0 GDADLP C[N@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000540318721 650356030 /nfs/dbraw/zinc/35/60/30/650356030.db2.gz QTUSUKGCAQLBSJ-UHFFFAOYSA-N 2 2 385.877 1.145 20 0 GDADLP C[N@@H+](CCCn1cc[nH+]c1)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000540318721 650356037 /nfs/dbraw/zinc/35/60/37/650356037.db2.gz QTUSUKGCAQLBSJ-UHFFFAOYSA-N 2 2 385.877 1.145 20 0 GDADLP C[NH+]1CCN(CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000565040619 650777867 /nfs/dbraw/zinc/77/78/67/650777867.db2.gz VELYTIOMBUVFBV-QGZVFWFLSA-N 2 2 383.334 1.377 20 0 GDADLP CN1CC[NH+](CCCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000565040619 650777873 /nfs/dbraw/zinc/77/78/73/650777873.db2.gz VELYTIOMBUVFBV-QGZVFWFLSA-N 2 2 383.334 1.377 20 0 GDADLP NS(=O)(=O)c1ccc(Cl)c(NC(=O)C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420353839 645941475 /nfs/dbraw/zinc/94/14/75/645941475.db2.gz AUIXJFCDATWNCO-HNNXBMFYSA-N 2 2 388.921 1.423 20 0 GDADLP COCC[N@H+](C)C[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000573016321 651466020 /nfs/dbraw/zinc/46/60/20/651466020.db2.gz NUCAFWAUGANFGZ-HNNXBMFYSA-N 2 2 375.311 1.222 20 0 GDADLP COCC[N@@H+](C)C[C@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000573016321 651466022 /nfs/dbraw/zinc/46/60/22/651466022.db2.gz NUCAFWAUGANFGZ-HNNXBMFYSA-N 2 2 375.311 1.222 20 0 GDADLP C[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577228495 651717336 /nfs/dbraw/zinc/71/73/36/651717336.db2.gz VJBHQGOMMRZYPU-JQWIXIFHSA-N 2 2 399.314 1.959 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000617764372 652976327 /nfs/dbraw/zinc/97/63/27/652976327.db2.gz TZRQATCHMIPEBZ-UHFFFAOYSA-N 2 2 382.306 1.939 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cc2[nH]cnc21 ZINC000617764372 652976328 /nfs/dbraw/zinc/97/63/28/652976328.db2.gz TZRQATCHMIPEBZ-UHFFFAOYSA-N 2 2 382.306 1.939 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@]2(CO)CCc3cc(Br)ccc3C2)CC1 ZINC000625793960 653045153 /nfs/dbraw/zinc/04/51/53/653045153.db2.gz AHNQFGFEYIHIAW-SFHVURJKSA-N 2 2 396.329 1.033 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)Cn3cc(Br)cn3)c2)CC1 ZINC000634195516 653488265 /nfs/dbraw/zinc/48/82/65/653488265.db2.gz WQDSCYKFBAIKEA-UHFFFAOYSA-N 2 2 379.262 1.431 20 0 GDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000639768011 653552722 /nfs/dbraw/zinc/55/27/22/653552722.db2.gz XEQWSLQJQPHKKN-DOTOQJQBSA-N 2 2 387.318 1.577 20 0 GDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000639768011 653552723 /nfs/dbraw/zinc/55/27/23/653552723.db2.gz XEQWSLQJQPHKKN-DOTOQJQBSA-N 2 2 387.318 1.577 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780435 653655078 /nfs/dbraw/zinc/65/50/78/653655078.db2.gz JBPXHEXJCFAEOW-HIFRSBDPSA-N 2 2 398.349 1.881 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780435 653655080 /nfs/dbraw/zinc/65/50/80/653655080.db2.gz JBPXHEXJCFAEOW-HIFRSBDPSA-N 2 2 398.349 1.881 20 0 GDADLP CNC(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH2+]C)c2cccc(Cl)c2Cl)CC1 ZINC000662682255 654299546 /nfs/dbraw/zinc/29/95/46/654299546.db2.gz PHMJTFLSFGXOBK-INIZCTEOSA-N 2 2 387.311 1.581 20 0 GDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000810218600 655153809 /nfs/dbraw/zinc/15/38/09/655153809.db2.gz JSQRNXZOANQIQP-HOCLYGCPSA-N 2 2 383.334 1.901 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cnc(F)c(Br)c3)C2)CC1 ZINC000847486547 655470253 /nfs/dbraw/zinc/47/02/53/655470253.db2.gz ZGLBROULSSEPJQ-LBPRGKRZSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cnc(F)c(Br)c3)C2)CC1 ZINC000847486547 655470256 /nfs/dbraw/zinc/47/02/56/655470256.db2.gz ZGLBROULSSEPJQ-LBPRGKRZSA-N 2 2 385.281 1.882 20 0 GDADLP O=S(=O)(N1CCC([NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1)C(F)(F)F ZINC000848532287 655496286 /nfs/dbraw/zinc/49/62/86/655496286.db2.gz CLDPUZMXTSIICM-AWEZNQCLSA-N 2 2 385.452 1.143 20 0 GDADLP COc1ncc(Br)cc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000865465646 655920245 /nfs/dbraw/zinc/92/02/45/655920245.db2.gz FUGRJDQRKDLXOR-INIZCTEOSA-N 2 2 399.333 1.349 20 0 GDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870920349 656255623 /nfs/dbraw/zinc/25/56/23/656255623.db2.gz ACXNOVBJPPFOFR-KRWDZBQOSA-N 2 2 397.361 1.839 20 0 GDADLP O=S(=O)(CC[NH2+]C[C@H]1CC1(Cl)Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000876937497 656641228 /nfs/dbraw/zinc/64/12/28/656641228.db2.gz WYALBZMUPQCJLG-CYBMUJFWSA-N 2 2 393.340 1.317 20 0 GDADLP O=S(=O)(NCC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1cccc(Cl)c1Cl ZINC000925669644 656716245 /nfs/dbraw/zinc/71/62/45/656716245.db2.gz CWBIRTALCDVMMD-DLFLCNGJSA-N 2 2 390.336 1.858 20 0 GDADLP C[NH+](C)C1(C)CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000931357592 657092416 /nfs/dbraw/zinc/09/24/16/657092416.db2.gz XJQGSXZYQCGMPI-OAHLLOKOSA-N 2 2 375.579 1.404 20 0 GDADLP CN(CCC[N@H+](C)Cc1sc(N2CCOCC2)nc1Cl)CC[NH+](C)C ZINC000894787517 658613097 /nfs/dbraw/zinc/61/30/97/658613097.db2.gz SLWUGXNVJZRFRO-UHFFFAOYSA-N 2 2 389.997 1.948 20 0 GDADLP CN(CCC[N@@H+](C)Cc1sc(N2CCOCC2)nc1Cl)CC[NH+](C)C ZINC000894787517 658613103 /nfs/dbraw/zinc/61/31/03/658613103.db2.gz SLWUGXNVJZRFRO-UHFFFAOYSA-N 2 2 389.997 1.948 20 0 GDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3cnc(Br)cn3)cn2)CC1 ZINC000895408996 658695158 /nfs/dbraw/zinc/69/51/58/658695158.db2.gz QIHBENQHTQBENE-UHFFFAOYSA-N 2 2 378.278 1.071 20 0 GDADLP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(Cl)n1 ZINC000903562852 659342033 /nfs/dbraw/zinc/34/20/33/659342033.db2.gz WVNQADPQJLSRFL-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP Cc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c(Cl)n1 ZINC000903562852 659342039 /nfs/dbraw/zinc/34/20/39/659342039.db2.gz WVNQADPQJLSRFL-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP O=C1CN(c2ncnc3c2C[N@H+](Cc2ccccc2)CC3)CC2(CC[NH2+]CC2)N1 ZINC001164392172 718808941 /nfs/dbraw/zinc/80/89/41/718808941.db2.gz YXFVRUHQHQHQGD-UHFFFAOYSA-N 2 2 392.507 1.093 20 0 GDADLP O=C1CN(c2ncnc3c2C[N@@H+](Cc2ccccc2)CC3)CC2(CC[NH2+]CC2)N1 ZINC001164392172 718808944 /nfs/dbraw/zinc/80/89/44/718808944.db2.gz YXFVRUHQHQHQGD-UHFFFAOYSA-N 2 2 392.507 1.093 20 0 GDADLP O=C(c1cccnc1N1CC[C@@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164410962 718875033 /nfs/dbraw/zinc/87/50/33/718875033.db2.gz KHZVURHOOCFSSY-SFTDATJTSA-N 2 2 391.519 1.980 20 0 GDADLP [NH3+]C1CCN(c2cc[nH+]c(N3CCc4ncc(C[NH+]5CCCC5)n4CC3)n2)CC1 ZINC001164727340 720573431 /nfs/dbraw/zinc/57/34/31/720573431.db2.gz FARJUHYJLLKTIL-UHFFFAOYSA-N 3 2 396.543 1.259 20 0 GDADLP Cc1c[nH+]c(N2CCCC23CC[NH+](CC(=O)N(C)C)CC3)nc1N1CCCC1 ZINC001165008426 721728634 /nfs/dbraw/zinc/72/86/34/721728634.db2.gz NVTILQBPQXKZCK-UHFFFAOYSA-N 2 2 386.544 1.908 20 0 GDADLP c1cncc(C[N@@H+]2CCOC[C@@]3(CN(c4ccc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912709 721771925 /nfs/dbraw/zinc/77/19/25/721771925.db2.gz OTUGPUSFWQCPIH-QFIPXVFZSA-N 2 2 395.507 1.230 20 0 GDADLP c1cncc(C[N@H+]2CCOC[C@@]3(CN(c4ccc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912709 721771929 /nfs/dbraw/zinc/77/19/29/721771929.db2.gz OTUGPUSFWQCPIH-QFIPXVFZSA-N 2 2 395.507 1.230 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736706446 944877486 /nfs/dbraw/zinc/87/74/86/944877486.db2.gz SQJDBULCSFONFH-QGZVFWFLSA-N 2 2 394.483 1.579 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736706446 944877489 /nfs/dbraw/zinc/87/74/89/944877489.db2.gz SQJDBULCSFONFH-QGZVFWFLSA-N 2 2 394.483 1.579 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272116 945655890 /nfs/dbraw/zinc/65/58/90/945655890.db2.gz PRWLWMHUKICJSV-GFCCVEGCSA-N 2 2 386.485 1.222 20 0 GDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295060 946153205 /nfs/dbraw/zinc/15/32/05/946153205.db2.gz OGEXBMQMTDYDBA-UKRRQHHQSA-N 2 2 389.529 1.493 20 0 GDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295060 946153213 /nfs/dbraw/zinc/15/32/13/946153213.db2.gz OGEXBMQMTDYDBA-UKRRQHHQSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295060 946153222 /nfs/dbraw/zinc/15/32/22/946153222.db2.gz OGEXBMQMTDYDBA-UKRRQHHQSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295060 946153227 /nfs/dbraw/zinc/15/32/27/946153227.db2.gz OGEXBMQMTDYDBA-UKRRQHHQSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccc(-c2nn[nH]n2)cc1)Cn1cc[nH+]c1 ZINC000824428529 946705099 /nfs/dbraw/zinc/70/50/99/946705099.db2.gz SNPSWHGFLUZSSQ-CQSZACIVSA-N 2 2 377.456 1.890 20 0 GDADLP Cn1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361446 948132242 /nfs/dbraw/zinc/13/22/42/948132242.db2.gz XNABZFWLXACUAI-GOSISDBHSA-N 2 2 396.499 1.204 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000826513803 948439210 /nfs/dbraw/zinc/43/92/10/948439210.db2.gz WKFAOJAUUIVAIM-TZIWHRDSSA-N 2 2 398.511 1.759 20 0 GDADLP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574693758 949059021 /nfs/dbraw/zinc/05/90/21/949059021.db2.gz IPKZGRCLJGROIL-ZDUSSCGKSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881733 949729390 /nfs/dbraw/zinc/72/93/90/949729390.db2.gz AENUDJWOGUHWOE-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881733 949729409 /nfs/dbraw/zinc/72/94/09/949729409.db2.gz AENUDJWOGUHWOE-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720702 949802389 /nfs/dbraw/zinc/80/23/89/949802389.db2.gz GCSNNTDIHXECPF-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001575902015 950247207 /nfs/dbraw/zinc/24/72/07/950247207.db2.gz RNAFQXQVBKGJIR-IAQYHMDHSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574509250 950502831 /nfs/dbraw/zinc/50/28/31/950502831.db2.gz UKZJTVSADFAVGU-STQMWFEESA-N 2 2 386.435 1.448 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)C[C@H]1C)n1cc[nH+]c1 ZINC001574511638 950571119 /nfs/dbraw/zinc/57/11/19/950571119.db2.gz PQMXVFSCWLNWKA-VNHYZAJKSA-N 2 2 381.444 1.050 20 0 GDADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574512993 950589444 /nfs/dbraw/zinc/58/94/44/950589444.db2.gz FWHMKHLLWATDMI-OLZOCXBDSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574516380 950637979 /nfs/dbraw/zinc/63/79/79/950637979.db2.gz IARKLSIYHSWKKI-RRQGHBQHSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH+]cn1C ZINC001574524511 950859832 /nfs/dbraw/zinc/85/98/32/950859832.db2.gz XOXOEPPATVUMKW-ZIAGYGMSSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574524498 950860975 /nfs/dbraw/zinc/86/09/75/950860975.db2.gz XKGJURKMUSVXKU-RYUDHWBXSA-N 2 2 388.501 1.277 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cc(I)c[nH]2)CC1 ZINC000177129744 530697577 /nfs/dbraw/zinc/69/75/77/530697577.db2.gz YAILQNDCJVLYGW-UHFFFAOYSA-N 2 2 390.269 1.375 20 0 GDADLP CC1CC[NH+]([C@H](CNC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c2cccs2)CC1 ZINC000236727071 531040013 /nfs/dbraw/zinc/04/00/13/531040013.db2.gz RIFNKYKNHFOUQY-LSDHHAIUSA-N 2 2 387.571 1.399 20 0 GDADLP C[C@]1(C[NH+]2CCN(C(=O)COc3ccc(Br)cc3)CC2)CC[NH2+]C1 ZINC000262055219 531106181 /nfs/dbraw/zinc/10/61/81/531106181.db2.gz QNTUBRSZCJRSOF-SFHVURJKSA-N 2 2 396.329 1.972 20 0 GDADLP CSC1(C[NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CCC1 ZINC000290851711 531260450 /nfs/dbraw/zinc/26/04/50/531260450.db2.gz JRKYOKZVONCGPC-UHFFFAOYSA-N 2 2 383.583 1.998 20 0 GDADLP C[N@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435623965 531266045 /nfs/dbraw/zinc/26/60/45/531266045.db2.gz IKZOIMNQGLNNES-ZDUSSCGKSA-N 2 2 397.317 1.578 20 0 GDADLP C[N@@H+](CC(=O)NCC(=O)Nc1ccccc1Br)[C@H]1CCC[NH2+]CC1 ZINC000435623965 531266049 /nfs/dbraw/zinc/26/60/49/531266049.db2.gz IKZOIMNQGLNNES-ZDUSSCGKSA-N 2 2 397.317 1.578 20 0 GDADLP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(Br)c1 ZINC000415341399 531476606 /nfs/dbraw/zinc/47/66/06/531476606.db2.gz OZIZYSRKSQYXSM-NSHDSACASA-N 2 2 383.290 1.270 20 0 GDADLP CN1CC[NH2+]C[C@@H]1CNC1CC[NH+](Cc2ccccc2Br)CC1 ZINC000414975732 531464140 /nfs/dbraw/zinc/46/41/40/531464140.db2.gz MMSYBXGCYLJBAD-QGZVFWFLSA-N 2 2 381.362 1.907 20 0 GDADLP Brc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)c(N2CCOCC2)c1 ZINC000415033841 531465571 /nfs/dbraw/zinc/46/55/71/531465571.db2.gz HLHNGGVKUXTBBI-INIZCTEOSA-N 2 2 384.318 1.754 20 0 GDADLP Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000363031955 531468866 /nfs/dbraw/zinc/46/88/66/531468866.db2.gz YBLVPIUBQQBPHX-LLVKDONJSA-N 2 2 394.321 1.706 20 0 GDADLP Cn1nc(Br)c2c1ncnc2N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000363031955 531468870 /nfs/dbraw/zinc/46/88/70/531468870.db2.gz YBLVPIUBQQBPHX-LLVKDONJSA-N 2 2 394.321 1.706 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000545302681 531490149 /nfs/dbraw/zinc/49/01/49/531490149.db2.gz GFMNMSRLGISZIW-TZMCWYRMSA-N 2 2 395.305 1.548 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000658428698 531511123 /nfs/dbraw/zinc/51/11/23/531511123.db2.gz YDGYATMCDTXUOP-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)ccc1Cl ZINC000658428698 531511128 /nfs/dbraw/zinc/51/11/28/531511128.db2.gz YDGYATMCDTXUOP-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP [NH3+]Cc1nc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)cs1 ZINC000269282704 531634109 /nfs/dbraw/zinc/63/41/09/531634109.db2.gz GRIBVVRCDIWTCA-UHFFFAOYSA-N 2 2 379.917 1.807 20 0 GDADLP COc1nsc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)c1Br ZINC000639348694 531689152 /nfs/dbraw/zinc/68/91/52/531689152.db2.gz HEJUQARRBPWLAR-VIFPVBQESA-N 2 2 377.308 1.344 20 0 GDADLP COc1nsc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)c1Br ZINC000639348694 531689163 /nfs/dbraw/zinc/68/91/63/531689163.db2.gz HEJUQARRBPWLAR-VIFPVBQESA-N 2 2 377.308 1.344 20 0 GDADLP C[N@@H+]1CCO[C@H]([C@@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944152 531793389 /nfs/dbraw/zinc/79/33/89/531793389.db2.gz CAWILBFFVMRXDX-KBPBESRZSA-N 2 2 376.835 1.605 20 0 GDADLP C[N@H+]1CCO[C@H]([C@@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944152 531793397 /nfs/dbraw/zinc/79/33/97/531793397.db2.gz CAWILBFFVMRXDX-KBPBESRZSA-N 2 2 376.835 1.605 20 0 GDADLP COCC[N@@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000569474443 531922195 /nfs/dbraw/zinc/92/21/95/531922195.db2.gz FKXFGLDUQCHCHH-HZPDHXFCSA-N 2 2 387.318 1.889 20 0 GDADLP COCC[N@H+]1CCC[C@@H]1C[NH2+]C[C@@H](O)COc1cccc(Br)c1 ZINC000569474443 531922200 /nfs/dbraw/zinc/92/22/00/531922200.db2.gz FKXFGLDUQCHCHH-HZPDHXFCSA-N 2 2 387.318 1.889 20 0 GDADLP CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463412755 532053272 /nfs/dbraw/zinc/05/32/72/532053272.db2.gz JHFKFFXFQJPEHC-QGZVFWFLSA-N 2 2 375.579 1.529 20 0 GDADLP CC[C@@H]1CCC[N@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463412755 532053275 /nfs/dbraw/zinc/05/32/75/532053275.db2.gz JHFKFFXFQJPEHC-QGZVFWFLSA-N 2 2 375.579 1.529 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422859838 532068312 /nfs/dbraw/zinc/06/83/12/532068312.db2.gz KYLVNPXRIATVNW-CZUORRHYSA-N 2 2 384.318 1.926 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000581235240 532078324 /nfs/dbraw/zinc/07/83/24/532078324.db2.gz PPLRKQWBAAMUJK-UHFFFAOYSA-N 2 2 393.289 1.809 20 0 GDADLP C[C@H](C(=O)Nc1cccc(I)c1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603867437 532095425 /nfs/dbraw/zinc/09/54/25/532095425.db2.gz QXTXTUPSCSGQKU-IJLUTSLNSA-N 2 2 385.249 1.769 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)Cc3cc[nH]c(=O)c3Br)C2)CC1 ZINC000377062175 532241108 /nfs/dbraw/zinc/24/11/08/532241108.db2.gz PIDRKZPOZNWYRT-CYBMUJFWSA-N 2 2 397.317 1.377 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)Cc3cc[nH]c(=O)c3Br)C2)CC1 ZINC000377062175 532241112 /nfs/dbraw/zinc/24/11/12/532241112.db2.gz PIDRKZPOZNWYRT-CYBMUJFWSA-N 2 2 397.317 1.377 20 0 GDADLP CC(C)[C@@H]([NH3+])CC[N@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000430561351 532252127 /nfs/dbraw/zinc/25/21/27/532252127.db2.gz KLAJXFHVTDUZPP-ZDUSSCGKSA-N 2 2 376.910 1.231 20 0 GDADLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl ZINC000430561351 532252132 /nfs/dbraw/zinc/25/21/32/532252132.db2.gz KLAJXFHVTDUZPP-ZDUSSCGKSA-N 2 2 376.910 1.231 20 0 GDADLP C[C@@](C[NH3+])([NH2+]CC(=O)NCC(=O)Nc1ccccc1Br)C1CC1 ZINC000430555140 532252167 /nfs/dbraw/zinc/25/21/67/532252167.db2.gz RWIZKXGPFAQJNL-INIZCTEOSA-N 2 2 383.290 1.221 20 0 GDADLP C[C@@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000430646412 532255085 /nfs/dbraw/zinc/25/50/85/532255085.db2.gz PGWPKOATZDHLAU-GFCCVEGCSA-N 2 2 387.311 1.534 20 0 GDADLP C[C@@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000430646412 532255089 /nfs/dbraw/zinc/25/50/89/532255089.db2.gz PGWPKOATZDHLAU-GFCCVEGCSA-N 2 2 387.311 1.534 20 0 GDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3cncc(Br)c3)CC2)CC1 ZINC000289823862 532332573 /nfs/dbraw/zinc/33/25/73/532332573.db2.gz OGJWPGKGZNRNSJ-UHFFFAOYSA-N 2 2 381.318 1.830 20 0 GDADLP CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851201 598974909 /nfs/dbraw/zinc/97/49/09/598974909.db2.gz GYASRQGGRZRXIJ-KRWDZBQOSA-N 2 2 398.515 1.177 20 0 GDADLP CN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851201 598974910 /nfs/dbraw/zinc/97/49/10/598974910.db2.gz GYASRQGGRZRXIJ-KRWDZBQOSA-N 2 2 398.515 1.177 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)CC1 ZINC000736851204 599056173 /nfs/dbraw/zinc/05/61/73/599056173.db2.gz HCEDEBVLLHQDFH-NSHDSACASA-N 2 2 396.421 1.861 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3nc(C(F)(F)F)ccc3-c3nn[nH]n3)C2)CC1 ZINC000736851204 599056176 /nfs/dbraw/zinc/05/61/76/599056176.db2.gz HCEDEBVLLHQDFH-NSHDSACASA-N 2 2 396.421 1.861 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705130 599074337 /nfs/dbraw/zinc/07/43/37/599074337.db2.gz FRKLUNDPXAEREO-DOTOQJQBSA-N 2 2 380.456 1.489 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705130 599074340 /nfs/dbraw/zinc/07/43/40/599074340.db2.gz FRKLUNDPXAEREO-DOTOQJQBSA-N 2 2 380.456 1.489 20 0 GDADLP c1cn(-c2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c[nH+]1 ZINC000738427386 598525842 /nfs/dbraw/zinc/52/58/42/598525842.db2.gz WBTDGUWHLXMWQU-CYBMUJFWSA-N 2 2 376.428 1.080 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852902 598743404 /nfs/dbraw/zinc/74/34/04/598743404.db2.gz SDYBEOZEEIRHCU-ZEVQVBBLSA-N 2 2 395.511 1.507 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852902 598743405 /nfs/dbraw/zinc/74/34/05/598743405.db2.gz SDYBEOZEEIRHCU-ZEVQVBBLSA-N 2 2 395.511 1.507 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000822337199 599524016 /nfs/dbraw/zinc/52/40/16/599524016.db2.gz VIDGIAAXTIXTRJ-DLBZAZTESA-N 2 2 379.468 1.759 20 0 GDADLP COc1ccc(C[N@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1-c1nn[nH]n1 ZINC000826192140 607496872 /nfs/dbraw/zinc/49/68/72/607496872.db2.gz ATDOIWROYLWVTF-UHFFFAOYSA-N 2 2 396.499 1.668 20 0 GDADLP COc1ccc(C[N@@H+](C)C2CC[NH+](CCn3cccn3)CC2)cc1-c1nn[nH]n1 ZINC000826192140 607496875 /nfs/dbraw/zinc/49/68/75/607496875.db2.gz ATDOIWROYLWVTF-UHFFFAOYSA-N 2 2 396.499 1.668 20 0 GDADLP C[NH+]1CCN(c2ncc(C[NH2+]C3(c4cccc(-c5nn[nH]n5)c4)CC3)cn2)CC1 ZINC000826044465 607704135 /nfs/dbraw/zinc/70/41/35/607704135.db2.gz GDHVDKCUFGISQK-UHFFFAOYSA-N 2 2 391.483 1.187 20 0 GDADLP C[C@H]1C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984741 608170851 /nfs/dbraw/zinc/17/08/51/608170851.db2.gz NDOFNXHFJNQSFA-QFBILLFUSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984741 608170852 /nfs/dbraw/zinc/17/08/52/608170852.db2.gz NDOFNXHFJNQSFA-QFBILLFUSA-N 2 2 385.516 1.203 20 0 GDADLP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000826517780 608513008 /nfs/dbraw/zinc/51/30/08/608513008.db2.gz OIUXCTCQTAMVGX-QUCCMNQESA-N 2 2 397.527 1.240 20 0 GDADLP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476145 609169757 /nfs/dbraw/zinc/16/97/57/609169757.db2.gz BNESFLOQMJZDSA-RYQLBKOJSA-N 2 2 381.484 1.579 20 0 GDADLP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476145 609169758 /nfs/dbraw/zinc/16/97/58/609169758.db2.gz BNESFLOQMJZDSA-RYQLBKOJSA-N 2 2 381.484 1.579 20 0 GDADLP C[C@@H](CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000566559770 650855275 /nfs/dbraw/zinc/85/52/75/650855275.db2.gz WLVNQDABNXYPMC-KSSFIOAISA-N 2 2 397.361 1.623 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423098680 646113938 /nfs/dbraw/zinc/11/39/38/646113938.db2.gz DGHPJKNLSWZWJE-FZMZJTMJSA-N 2 2 380.432 1.966 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccc(Br)cn3)CC2)CC1 ZINC000513963571 648447991 /nfs/dbraw/zinc/44/79/91/648447991.db2.gz STEWWDGBOSQDJU-UHFFFAOYSA-N 2 2 396.333 1.130 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](CCO)c2ccccc2Br)CC1 ZINC000514232549 648451104 /nfs/dbraw/zinc/45/11/04/648451104.db2.gz MXQABQRHJQGCEP-INIZCTEOSA-N 2 2 384.318 1.626 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000579218208 651842088 /nfs/dbraw/zinc/84/20/88/651842088.db2.gz UCPNVACQDURPHP-CYBMUJFWSA-N 2 2 382.921 1.747 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000579218208 651842090 /nfs/dbraw/zinc/84/20/90/651842090.db2.gz UCPNVACQDURPHP-CYBMUJFWSA-N 2 2 382.921 1.747 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000617766985 652976340 /nfs/dbraw/zinc/97/63/40/652976340.db2.gz BIUYICNIXXKCHE-UHFFFAOYSA-N 2 2 390.937 1.325 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1 ZINC000617766985 652976343 /nfs/dbraw/zinc/97/63/43/652976343.db2.gz BIUYICNIXXKCHE-UHFFFAOYSA-N 2 2 390.937 1.325 20 0 GDADLP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629518665 653168262 /nfs/dbraw/zinc/16/82/62/653168262.db2.gz AQOWKRUEKCNGRQ-JTQLQIEISA-N 2 2 392.319 1.255 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780434 653655130 /nfs/dbraw/zinc/65/51/30/653655130.db2.gz JBPXHEXJCFAEOW-DZGCQCFKSA-N 2 2 398.349 1.881 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780434 653655131 /nfs/dbraw/zinc/65/51/31/653655131.db2.gz JBPXHEXJCFAEOW-DZGCQCFKSA-N 2 2 398.349 1.881 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000664329891 654374948 /nfs/dbraw/zinc/37/49/48/654374948.db2.gz HAJGGIRVQPWHMO-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc2ccc(Br)cn2n1 ZINC000664329891 654374952 /nfs/dbraw/zinc/37/49/52/654374952.db2.gz HAJGGIRVQPWHMO-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1nc(C2CC2)ncc1Br ZINC000664331520 654375399 /nfs/dbraw/zinc/37/53/99/654375399.db2.gz STIZKNJUFJEAAR-UHFFFAOYSA-N 2 2 384.322 1.730 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1nc(C2CC2)ncc1Br ZINC000664331520 654375405 /nfs/dbraw/zinc/37/54/05/654375405.db2.gz STIZKNJUFJEAAR-UHFFFAOYSA-N 2 2 384.322 1.730 20 0 GDADLP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963878 655363092 /nfs/dbraw/zinc/36/30/92/655363092.db2.gz WQQDIMFKNUGMAH-ZFWWWQNUSA-N 2 2 391.559 1.580 20 0 GDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(OC)s1 ZINC000820790839 655416699 /nfs/dbraw/zinc/41/66/99/655416699.db2.gz YAKHYXDWBQORAR-ZDUSSCGKSA-N 2 2 376.548 1.188 20 0 GDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cnc(OC)s1 ZINC000820790839 655416700 /nfs/dbraw/zinc/41/67/00/655416700.db2.gz YAKHYXDWBQORAR-ZDUSSCGKSA-N 2 2 376.548 1.188 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1Cl ZINC000865462255 655920305 /nfs/dbraw/zinc/92/03/05/655920305.db2.gz HZSVOHHDJOOUDO-OAHLLOKOSA-N 2 2 387.933 1.720 20 0 GDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870895920 656254033 /nfs/dbraw/zinc/25/40/33/656254033.db2.gz OBGVDFHLSRZJGI-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP O=C1C[N@@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1Cc1ccc(Br)cc1 ZINC000923411518 656550838 /nfs/dbraw/zinc/55/08/38/656550838.db2.gz MTJRKURXDYIUIX-INIZCTEOSA-N 2 2 394.313 1.472 20 0 GDADLP O=C1C[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CCN1Cc1ccc(Br)cc1 ZINC000923411518 656550841 /nfs/dbraw/zinc/55/08/41/656550841.db2.gz MTJRKURXDYIUIX-INIZCTEOSA-N 2 2 394.313 1.472 20 0 GDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876875457 656636518 /nfs/dbraw/zinc/63/65/18/656636518.db2.gz VYTQHQHNVUNPFR-INIZCTEOSA-N 2 2 397.317 1.119 20 0 GDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876875457 656636524 /nfs/dbraw/zinc/63/65/24/656636524.db2.gz VYTQHQHNVUNPFR-INIZCTEOSA-N 2 2 397.317 1.119 20 0 GDADLP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1cc(Br)no1 ZINC000878016054 656701830 /nfs/dbraw/zinc/70/18/30/656701830.db2.gz OVEHQFXIDWLEGG-CQSZACIVSA-N 2 2 388.306 1.905 20 0 GDADLP Brc1ncccc1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883371334 657284121 /nfs/dbraw/zinc/28/41/21/657284121.db2.gz GLOMNFXOCVKHAM-INIZCTEOSA-N 2 2 383.334 1.730 20 0 GDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897976945 658906766 /nfs/dbraw/zinc/90/67/66/658906766.db2.gz AYTDDYOPILSHNS-CQSZACIVSA-N 2 2 397.317 1.532 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735548 659378502 /nfs/dbraw/zinc/37/85/02/659378502.db2.gz BMBRFPUDIGIVPT-BBRMVZONSA-N 2 2 383.290 1.483 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903735548 659378508 /nfs/dbraw/zinc/37/85/08/659378508.db2.gz BMBRFPUDIGIVPT-BBRMVZONSA-N 2 2 383.290 1.483 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCc4nnc(Cn5cccc5)n4CC3)[nH+]2)CC1 ZINC001164709713 720090326 /nfs/dbraw/zinc/09/03/26/720090326.db2.gz CNEBCNSHWIHYBL-UHFFFAOYSA-N 2 2 392.511 1.337 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746089 720808810 /nfs/dbraw/zinc/80/88/10/720808810.db2.gz LTUIBCJXGXODTD-GBESFXJTSA-N 2 2 396.543 1.904 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746089 720808811 /nfs/dbraw/zinc/80/88/11/720808811.db2.gz LTUIBCJXGXODTD-GBESFXJTSA-N 2 2 396.543 1.904 20 0 GDADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc(C(C)C)[nH+]1 ZINC001164874371 721263758 /nfs/dbraw/zinc/26/37/58/721263758.db2.gz KTZJJRCQYYQIMY-UHFFFAOYSA-N 2 2 389.544 1.915 20 0 GDADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc(C(C)C)[nH+]1 ZINC001164874371 721263778 /nfs/dbraw/zinc/26/37/78/721263778.db2.gz KTZJJRCQYYQIMY-UHFFFAOYSA-N 2 2 389.544 1.915 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571281103 945799061 /nfs/dbraw/zinc/79/90/61/945799061.db2.gz CJAAFNSTESECLG-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571281103 945799066 /nfs/dbraw/zinc/79/90/66/945799066.db2.gz CJAAFNSTESECLG-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571281103 945799070 /nfs/dbraw/zinc/79/90/70/945799070.db2.gz CJAAFNSTESECLG-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001571281103 945799079 /nfs/dbraw/zinc/79/90/79/945799079.db2.gz CJAAFNSTESECLG-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571281811 945817965 /nfs/dbraw/zinc/81/79/65/945817965.db2.gz OLPBHZMMCZJCBN-UHOFOFEASA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@H+]1C ZINC001571281811 945817975 /nfs/dbraw/zinc/81/79/75/945817975.db2.gz OLPBHZMMCZJCBN-UHOFOFEASA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[NH+]1C ZINC001571281811 945817980 /nfs/dbraw/zinc/81/79/80/945817980.db2.gz OLPBHZMMCZJCBN-UHOFOFEASA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[NH+]1C ZINC001571281811 945817992 /nfs/dbraw/zinc/81/79/92/945817992.db2.gz OLPBHZMMCZJCBN-UHOFOFEASA-N 2 2 387.463 1.037 20 0 GDADLP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295278 946159169 /nfs/dbraw/zinc/15/91/69/946159169.db2.gz RSGMKSUJXDWCNB-DZGCQCFKSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295278 946159172 /nfs/dbraw/zinc/15/91/72/946159172.db2.gz RSGMKSUJXDWCNB-DZGCQCFKSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295278 946159177 /nfs/dbraw/zinc/15/91/77/946159177.db2.gz RSGMKSUJXDWCNB-DZGCQCFKSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295278 946159188 /nfs/dbraw/zinc/15/91/88/946159188.db2.gz RSGMKSUJXDWCNB-DZGCQCFKSA-N 2 2 389.529 1.492 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@@H](C)N1CCOCC1 ZINC000824548073 946790203 /nfs/dbraw/zinc/79/02/03/946790203.db2.gz VAKKHKRJKBQAMS-IAGOWNOFSA-N 2 2 399.543 1.530 20 0 GDADLP c1cncc(OCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000826525943 948465158 /nfs/dbraw/zinc/46/51/58/948465158.db2.gz FMIAFYPDNUSTJQ-UHFFFAOYSA-N 2 2 379.468 1.895 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920042 948880480 /nfs/dbraw/zinc/88/04/80/948880480.db2.gz AULDTIHAIAPAEM-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920042 948880496 /nfs/dbraw/zinc/88/04/96/948880496.db2.gz AULDTIHAIAPAEM-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CN(C)C(=O)C(C)(C)c1c[nH+]c[nH]1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574694283 949073308 /nfs/dbraw/zinc/07/33/08/949073308.db2.gz MXORFTTYZJTBEK-ZDUSSCGKSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881735 949730090 /nfs/dbraw/zinc/73/00/90/949730090.db2.gz AENUDJWOGUHWOE-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881735 949730144 /nfs/dbraw/zinc/73/01/44/949730144.db2.gz AENUDJWOGUHWOE-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575286048 949969252 /nfs/dbraw/zinc/96/92/52/949969252.db2.gz SQFLMBWEMWYFPU-GFCCVEGCSA-N 2 2 386.485 1.152 20 0 GDADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574159943 950326160 /nfs/dbraw/zinc/32/61/60/950326160.db2.gz ZYRXBVGACJOHLN-RHSMWYFYSA-N 2 2 386.504 1.111 20 0 GDADLP CC(C)C[C@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574159943 950326183 /nfs/dbraw/zinc/32/61/83/950326183.db2.gz ZYRXBVGACJOHLN-RHSMWYFYSA-N 2 2 386.504 1.111 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203255 950439292 /nfs/dbraw/zinc/43/92/92/950439292.db2.gz FUBFDCBSXHWNHN-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203255 950439304 /nfs/dbraw/zinc/43/93/04/950439304.db2.gz FUBFDCBSXHWNHN-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203255 950439313 /nfs/dbraw/zinc/43/93/13/950439313.db2.gz FUBFDCBSXHWNHN-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203255 950439327 /nfs/dbraw/zinc/43/93/27/950439327.db2.gz FUBFDCBSXHWNHN-UKRRQHHQSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CC(=O)NCC[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574510018 950540889 /nfs/dbraw/zinc/54/08/89/950540889.db2.gz YHFXWLNWKJCWSH-ZDUSSCGKSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@@H](CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574510018 950540910 /nfs/dbraw/zinc/54/09/10/950540910.db2.gz YHFXWLNWKJCWSH-ZDUSSCGKSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207068 950587471 /nfs/dbraw/zinc/58/74/71/950587471.db2.gz CAPJUMQQMMFJHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207068 950587499 /nfs/dbraw/zinc/58/74/99/950587499.db2.gz CAPJUMQQMMFJHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207068 950587515 /nfs/dbraw/zinc/58/75/15/950587515.db2.gz CAPJUMQQMMFJHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207068 950587543 /nfs/dbraw/zinc/58/75/43/950587543.db2.gz CAPJUMQQMMFJHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207073 950591602 /nfs/dbraw/zinc/59/16/02/950591602.db2.gz CAPJUMQQMMFJHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207073 950591622 /nfs/dbraw/zinc/59/16/22/950591622.db2.gz CAPJUMQQMMFJHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207073 950591641 /nfs/dbraw/zinc/59/16/41/950591641.db2.gz CAPJUMQQMMFJHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(F)c(-c4nn[nH]n4)c3)C2)C1 ZINC001576207073 950591656 /nfs/dbraw/zinc/59/16/56/950591656.db2.gz CAPJUMQQMMFJHV-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574513780 950618350 /nfs/dbraw/zinc/61/83/50/950618350.db2.gz ZBMFTHTWYPELSW-KBPBESRZSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cc[nH+]c1 ZINC001574515181 950625469 /nfs/dbraw/zinc/62/54/69/950625469.db2.gz BPIHKTPALOHJLM-CKNFYHOISA-N 2 2 392.467 1.261 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)C[C@H]21)n1cc[nH+]c1 ZINC001574515181 950625475 /nfs/dbraw/zinc/62/54/75/950625475.db2.gz BPIHKTPALOHJLM-CKNFYHOISA-N 2 2 392.467 1.261 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574523901 950838192 /nfs/dbraw/zinc/83/81/92/950838192.db2.gz RXSIHOXRXJLWPG-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001574772128 950958494 /nfs/dbraw/zinc/95/84/94/950958494.db2.gz PSMHHEJQSAZCNZ-GUYCJALGSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[NH+]1C ZINC001574772128 950958505 /nfs/dbraw/zinc/95/85/05/950958505.db2.gz PSMHHEJQSAZCNZ-GUYCJALGSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574772128 950958517 /nfs/dbraw/zinc/95/85/17/950958517.db2.gz PSMHHEJQSAZCNZ-GUYCJALGSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574772128 950958532 /nfs/dbraw/zinc/95/85/32/950958532.db2.gz PSMHHEJQSAZCNZ-GUYCJALGSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001575101040 951851916 /nfs/dbraw/zinc/85/19/16/951851916.db2.gz XZMFSRWQODHRHS-NSHDSACASA-N 2 2 388.501 1.566 20 0 GDADLP C[C@@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115566 951966514 /nfs/dbraw/zinc/96/65/14/951966514.db2.gz YHHVHLLBHAKEIK-CYBMUJFWSA-N 2 2 390.451 1.899 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202591 952514625 /nfs/dbraw/zinc/51/46/25/952514625.db2.gz WEIXIVWGFWYEHO-AEGPPILISA-N 2 2 380.456 1.205 20 0 GDADLP CC(C)[C@H](NC(=O)C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[O-] ZINC001591866207 976166564 /nfs/dbraw/zinc/16/65/64/976166564.db2.gz CHLVAPUWMMDZNI-FQEVSTJZSA-N 2 2 396.576 1.340 20 0 GDADLP CC(C)[C@H](NC(=O)C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)[O-] ZINC001591866207 976166570 /nfs/dbraw/zinc/16/65/70/976166570.db2.gz CHLVAPUWMMDZNI-FQEVSTJZSA-N 2 2 396.576 1.340 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3c[nH]c(=O)c(Br)c3)CC2)CC1 ZINC000173348977 530628283 /nfs/dbraw/zinc/62/82/83/530628283.db2.gz KNMIZNNHZADORV-UHFFFAOYSA-N 2 2 397.317 1.426 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000174545146 530650872 /nfs/dbraw/zinc/65/08/72/530650872.db2.gz HCAABFAUUZUIKV-HNNXBMFYSA-N 2 2 396.333 1.494 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000174545146 530650874 /nfs/dbraw/zinc/65/08/74/530650874.db2.gz HCAABFAUUZUIKV-HNNXBMFYSA-N 2 2 396.333 1.494 20 0 GDADLP Cc1cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1Br ZINC000178904553 530730047 /nfs/dbraw/zinc/73/00/47/530730047.db2.gz FGYMFRZOKFZVJG-INIZCTEOSA-N 2 2 396.329 1.780 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)[C@@H]2Cc3cc(Br)ccc3O2)CC1 ZINC000194382994 531004487 /nfs/dbraw/zinc/00/44/87/531004487.db2.gz JFTKAZDOJDIATG-KRWDZBQOSA-N 2 2 396.329 1.895 20 0 GDADLP O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000128298605 531039792 /nfs/dbraw/zinc/03/97/92/531039792.db2.gz NHCMIBNEKAGJIY-DLBZAZTESA-N 2 2 381.567 1.599 20 0 GDADLP O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000128298605 531039796 /nfs/dbraw/zinc/03/97/96/531039796.db2.gz NHCMIBNEKAGJIY-DLBZAZTESA-N 2 2 381.567 1.599 20 0 GDADLP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1[NH+]1CCOCC1 ZINC000261756059 531097784 /nfs/dbraw/zinc/09/77/84/531097784.db2.gz JKWBKJAUQOJMNK-QBIMZIAESA-N 2 2 396.329 1.802 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000261764088 531098710 /nfs/dbraw/zinc/09/87/10/531098710.db2.gz WBFAQBWDFWVRAL-PBHICJAKSA-N 2 2 395.345 1.606 20 0 GDADLP O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261894067 531101975 /nfs/dbraw/zinc/10/19/75/531101975.db2.gz ODOYWOOERYQHOA-BBRMVZONSA-N 2 2 381.318 1.924 20 0 GDADLP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1)[C@@H]1CCC[NH2+]1 ZINC000261894067 531101979 /nfs/dbraw/zinc/10/19/79/531101979.db2.gz ODOYWOOERYQHOA-BBRMVZONSA-N 2 2 381.318 1.924 20 0 GDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854332 531378262 /nfs/dbraw/zinc/37/82/62/531378262.db2.gz AFKQKMGSKYGQTG-ABAIWWIYSA-N 2 2 375.897 1.830 20 0 GDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854332 531378267 /nfs/dbraw/zinc/37/82/67/531378267.db2.gz AFKQKMGSKYGQTG-ABAIWWIYSA-N 2 2 375.897 1.830 20 0 GDADLP C[NH+]1CCN(C(=O)C[N@H+](CCO)Cc2ccc(Br)s2)CC1 ZINC000485111467 531428368 /nfs/dbraw/zinc/42/83/68/531428368.db2.gz WFGTURFBDQTOFG-UHFFFAOYSA-N 2 2 376.320 1.079 20 0 GDADLP C[NH+]1CCN(C(=O)C[N@@H+](CCO)Cc2ccc(Br)s2)CC1 ZINC000485111467 531428373 /nfs/dbraw/zinc/42/83/73/531428373.db2.gz WFGTURFBDQTOFG-UHFFFAOYSA-N 2 2 376.320 1.079 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000486048331 531445413 /nfs/dbraw/zinc/44/54/13/531445413.db2.gz QJAURQHAJSHKJL-ZDUSSCGKSA-N 2 2 396.285 1.574 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000486048331 531445414 /nfs/dbraw/zinc/44/54/14/531445414.db2.gz QJAURQHAJSHKJL-ZDUSSCGKSA-N 2 2 396.285 1.574 20 0 GDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377933 531445454 /nfs/dbraw/zinc/44/54/54/531445454.db2.gz KJNXTFPFCYRVKN-YGRLFVJLSA-N 2 2 388.331 1.669 20 0 GDADLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+]Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000414377933 531445466 /nfs/dbraw/zinc/44/54/66/531445466.db2.gz KJNXTFPFCYRVKN-YGRLFVJLSA-N 2 2 388.331 1.669 20 0 GDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC[N@H+](C)C1 ZINC000414491870 531457744 /nfs/dbraw/zinc/45/77/44/531457744.db2.gz QPMKKJLFWYDBMQ-ZDUSSCGKSA-N 2 2 395.301 1.942 20 0 GDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC[N@@H+](C)C1 ZINC000414491870 531457749 /nfs/dbraw/zinc/45/77/49/531457749.db2.gz QPMKKJLFWYDBMQ-ZDUSSCGKSA-N 2 2 395.301 1.942 20 0 GDADLP CO[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000363673785 531498146 /nfs/dbraw/zinc/49/81/46/531498146.db2.gz MBALFFVBHWHIPY-HDICACEKSA-N 2 2 376.563 1.403 20 0 GDADLP CO[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000363673785 531498155 /nfs/dbraw/zinc/49/81/55/531498155.db2.gz MBALFFVBHWHIPY-HDICACEKSA-N 2 2 376.563 1.403 20 0 GDADLP CO[C@@H]1CCC[N@@H+](CCS(=O)(=O)CC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000363673785 531498158 /nfs/dbraw/zinc/49/81/58/531498158.db2.gz MBALFFVBHWHIPY-HDICACEKSA-N 2 2 376.563 1.403 20 0 GDADLP CO[C@@H]1CCC[N@H+](CCS(=O)(=O)CC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000363673785 531498160 /nfs/dbraw/zinc/49/81/60/531498160.db2.gz MBALFFVBHWHIPY-HDICACEKSA-N 2 2 376.563 1.403 20 0 GDADLP Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000658427577 531508784 /nfs/dbraw/zinc/50/87/84/531508784.db2.gz NXBMPYPSTRIYBO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1c(Br)cccc1NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000658427577 531508786 /nfs/dbraw/zinc/50/87/86/531508786.db2.gz NXBMPYPSTRIYBO-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP COc1cc(Br)c(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000491184838 531549519 /nfs/dbraw/zinc/54/95/19/531549519.db2.gz XUMVDUQFUQHSAZ-CYBMUJFWSA-N 2 2 384.318 1.946 20 0 GDADLP COCC[N@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)s1 ZINC000494247366 531591878 /nfs/dbraw/zinc/59/18/78/531591878.db2.gz JMSIYKRTGFXHMG-UHFFFAOYSA-N 2 2 390.347 1.733 20 0 GDADLP COCC[N@@H+](CC(=O)N1CC[NH+](C)CC1)Cc1ccc(Br)s1 ZINC000494247366 531591887 /nfs/dbraw/zinc/59/18/87/531591887.db2.gz JMSIYKRTGFXHMG-UHFFFAOYSA-N 2 2 390.347 1.733 20 0 GDADLP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662527275 531685570 /nfs/dbraw/zinc/68/55/70/531685570.db2.gz SIEBPQZXGAQEBD-QGZVFWFLSA-N 2 2 397.361 1.839 20 0 GDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662527275 531685580 /nfs/dbraw/zinc/68/55/80/531685580.db2.gz SIEBPQZXGAQEBD-QGZVFWFLSA-N 2 2 397.361 1.839 20 0 GDADLP [NH3+][C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1Br ZINC000662571373 531690242 /nfs/dbraw/zinc/69/02/42/531690242.db2.gz NBRANEIOKTWQEX-KVULBXGLSA-N 2 2 395.345 1.782 20 0 GDADLP [NH3+][C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccccc1Br ZINC000662571373 531690253 /nfs/dbraw/zinc/69/02/53/531690253.db2.gz NBRANEIOKTWQEX-KVULBXGLSA-N 2 2 395.345 1.782 20 0 GDADLP CC[N@@H+]1CCO[C@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000504925717 531711176 /nfs/dbraw/zinc/71/11/76/531711176.db2.gz VSJRDKSQSVDZOQ-AWEZNQCLSA-N 2 2 381.274 1.742 20 0 GDADLP CC[N@H+]1CCO[C@H](C(=O)NCc2cn3cc(Br)cc(C)c3[nH+]2)C1 ZINC000504925717 531711181 /nfs/dbraw/zinc/71/11/81/531711181.db2.gz VSJRDKSQSVDZOQ-AWEZNQCLSA-N 2 2 381.274 1.742 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417229669 531762536 /nfs/dbraw/zinc/76/25/36/531762536.db2.gz XZMPZCAEGQYQIB-RYUDHWBXSA-N 2 2 378.274 1.848 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Br)c1 ZINC000657071734 531997189 /nfs/dbraw/zinc/99/71/89/531997189.db2.gz BEXDLGKALOLTBA-ZDUSSCGKSA-N 2 2 392.363 1.999 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1cccc(Br)c1 ZINC000657071734 531997193 /nfs/dbraw/zinc/99/71/93/531997193.db2.gz BEXDLGKALOLTBA-ZDUSSCGKSA-N 2 2 392.363 1.999 20 0 GDADLP Fc1cncc(Br)c1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362334 532005196 /nfs/dbraw/zinc/00/51/96/532005196.db2.gz AAISSIJRACPYQG-CYBMUJFWSA-N 2 2 387.297 1.479 20 0 GDADLP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ncc(I)s2)CC1 ZINC000311407205 532055307 /nfs/dbraw/zinc/05/53/07/532055307.db2.gz JMOXLMUXYWKIFU-UHFFFAOYSA-N 2 2 394.326 1.863 20 0 GDADLP C[C@@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000422910079 532068963 /nfs/dbraw/zinc/06/89/63/532068963.db2.gz PPYSQQLHCRDVJG-UXIGCNINSA-N 2 2 390.265 1.761 20 0 GDADLP [NH3+][C@@H]1CCCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333410870 532233758 /nfs/dbraw/zinc/23/37/58/532233758.db2.gz ZVRLTEUISQDTJJ-LLVKDONJSA-N 2 2 384.278 1.636 20 0 GDADLP C[C@H](C[NH3+])[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000430919302 532257481 /nfs/dbraw/zinc/25/74/81/532257481.db2.gz QDLAZJPRLPWLDX-LLVKDONJSA-N 2 2 376.910 1.198 20 0 GDADLP C[C@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000430919302 532257484 /nfs/dbraw/zinc/25/74/84/532257484.db2.gz QDLAZJPRLPWLDX-LLVKDONJSA-N 2 2 376.910 1.198 20 0 GDADLP C[C@@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)N1CC[NH+](C)CC1 ZINC000289430708 532324075 /nfs/dbraw/zinc/32/40/75/532324075.db2.gz DUDMFMMRIPHBCQ-AWEZNQCLSA-N 2 2 393.333 1.755 20 0 GDADLP CCn1cc[nH+]c1CN(C(=O)c1ccc(C(N)=O)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000578113007 570539617 /nfs/dbraw/zinc/53/96/17/570539617.db2.gz SLSTULFDULZCLY-KRWDZBQOSA-N 2 2 381.480 1.786 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000737523813 598853584 /nfs/dbraw/zinc/85/35/84/598853584.db2.gz JGTQRGFYUXPFPL-QGZVFWFLSA-N 2 2 390.455 1.925 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000737523813 598853586 /nfs/dbraw/zinc/85/35/86/598853586.db2.gz JGTQRGFYUXPFPL-QGZVFWFLSA-N 2 2 390.455 1.925 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000738432763 598963453 /nfs/dbraw/zinc/96/34/53/598963453.db2.gz LNAIJCMBPCVLQP-IRXDYDNUSA-N 2 2 393.499 1.359 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000738432763 598963454 /nfs/dbraw/zinc/96/34/54/598963454.db2.gz LNAIJCMBPCVLQP-IRXDYDNUSA-N 2 2 393.499 1.359 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820683551 599695798 /nfs/dbraw/zinc/69/57/98/599695798.db2.gz CYIULAYTKQWPLJ-IYBDPMFKSA-N 2 2 383.500 1.384 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820683551 599695799 /nfs/dbraw/zinc/69/57/99/599695799.db2.gz CYIULAYTKQWPLJ-IYBDPMFKSA-N 2 2 383.500 1.384 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000822335820 606729207 /nfs/dbraw/zinc/72/92/07/606729207.db2.gz MDCHNYKAGGVZQR-UHFFFAOYSA-N 2 2 394.483 1.324 20 0 GDADLP C[C@@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000820410780 607087636 /nfs/dbraw/zinc/08/76/36/607087636.db2.gz GRZVTJUVKWUIFH-MRXNPFEDSA-N 2 2 385.516 1.314 20 0 GDADLP c1cc2c(cc1-c1nn[nH]n1)CCC[C@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000826517778 608513084 /nfs/dbraw/zinc/51/30/84/608513084.db2.gz OIUXCTCQTAMVGX-AZUAARDMSA-N 2 2 397.527 1.240 20 0 GDADLP [NH2+]=C(NOCc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000826388242 609500383 /nfs/dbraw/zinc/50/03/83/609500383.db2.gz OMKRVTQCVBMQOD-GOSISDBHSA-N 2 2 393.451 1.766 20 0 GDADLP [NH2+]=C(NOCc1ccc(-c2nn[nH]n2)cc1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000826388242 609500386 /nfs/dbraw/zinc/50/03/86/609500386.db2.gz OMKRVTQCVBMQOD-GOSISDBHSA-N 2 2 393.451 1.766 20 0 GDADLP O=S(=O)(NCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000423095082 646112109 /nfs/dbraw/zinc/11/21/09/646112109.db2.gz DDGZIYYSAIIVHV-RDJZCZTQSA-N 2 2 387.933 1.365 20 0 GDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781346 647163624 /nfs/dbraw/zinc/16/36/24/647163624.db2.gz PFRJJXUHSLLELX-NWDGAFQWSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781346 647163625 /nfs/dbraw/zinc/16/36/25/647163625.db2.gz PFRJJXUHSLLELX-NWDGAFQWSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000463340857 647557259 /nfs/dbraw/zinc/55/72/59/647557259.db2.gz RJJSBAPZHOMLQB-IAGOWNOFSA-N 2 2 375.579 1.385 20 0 GDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515383339 648493658 /nfs/dbraw/zinc/49/36/58/648493658.db2.gz CMAQCPZVXMNVCB-HOTGVXAUSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H](O)COc1ccc(Br)cc1 ZINC000515383339 648493662 /nfs/dbraw/zinc/49/36/62/648493662.db2.gz CMAQCPZVXMNVCB-HOTGVXAUSA-N 2 2 387.318 1.625 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000576429224 651663441 /nfs/dbraw/zinc/66/34/41/651663441.db2.gz ODUGZRDXVPBHBN-ZBFHGGJFSA-N 2 2 394.313 1.928 20 0 GDADLP C[NH+](C)CCN1C(=O)C[C@H]([N@H+]2CC[C@@H](c3cccc(Br)c3)C2)C1=O ZINC000576429224 651663444 /nfs/dbraw/zinc/66/34/44/651663444.db2.gz ODUGZRDXVPBHBN-ZBFHGGJFSA-N 2 2 394.313 1.928 20 0 GDADLP O=C(NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578744200 651809679 /nfs/dbraw/zinc/80/96/79/651809679.db2.gz PIYNXTSIGXIHFT-SGMGOOAPSA-N 2 2 376.448 1.957 20 0 GDADLP O=C(NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000578744200 651809686 /nfs/dbraw/zinc/80/96/86/651809686.db2.gz PIYNXTSIGXIHFT-SGMGOOAPSA-N 2 2 376.448 1.957 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617764142 652976405 /nfs/dbraw/zinc/97/64/05/652976405.db2.gz KPVBMXRRDPSFNB-UHFFFAOYSA-N 2 2 383.334 1.875 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C1(c2cncc(Br)c2)CC1 ZINC000617764142 652976407 /nfs/dbraw/zinc/97/64/07/652976407.db2.gz KPVBMXRRDPSFNB-UHFFFAOYSA-N 2 2 383.334 1.875 20 0 GDADLP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)C[NH+]1CCOCC1 ZINC000662468504 654294714 /nfs/dbraw/zinc/29/47/14/654294714.db2.gz WNHNNQKGPYVWNU-JTQLQIEISA-N 2 2 388.331 1.812 20 0 GDADLP O[C@H](C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)c1ccccc1Br ZINC000779604571 654764816 /nfs/dbraw/zinc/76/48/16/654764816.db2.gz BTAMIRGRCOSPRC-QGZVFWFLSA-N 2 2 399.329 1.642 20 0 GDADLP CN(C(=O)c1cc[nH]c(=O)c1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000683619937 654780270 /nfs/dbraw/zinc/78/02/70/654780270.db2.gz JEIHPCBZXTVQAV-CYBMUJFWSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1cc[nH]c(=O)c1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000683619937 654780272 /nfs/dbraw/zinc/78/02/72/654780272.db2.gz JEIHPCBZXTVQAV-CYBMUJFWSA-N 2 2 397.317 1.790 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000863643258 655878189 /nfs/dbraw/zinc/87/81/89/655878189.db2.gz IVFGVFHFFQYZLV-HIFRSBDPSA-N 2 2 396.285 1.912 20 0 GDADLP C[NH+]1CCN(c2ncc(C[NH2+]Cc3ccc(Br)cn3)cn2)CC1 ZINC000865811953 655927461 /nfs/dbraw/zinc/92/74/61/655927461.db2.gz ZYSUEWXNESIPLX-UHFFFAOYSA-N 2 2 377.290 1.676 20 0 GDADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452695 656553588 /nfs/dbraw/zinc/55/35/88/656553588.db2.gz SXWYTZXXQXUGSV-GJZGRUSLSA-N 2 2 382.302 1.805 20 0 GDADLP C[NH+](C)CC1(O)CC[NH+](Cc2nnc(-c3ccc(Br)o3)o2)CC1 ZINC000931489053 657102946 /nfs/dbraw/zinc/10/29/46/657102946.db2.gz XUHYQWBJIHXMAQ-UHFFFAOYSA-N 2 2 385.262 1.981 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227841 657337606 /nfs/dbraw/zinc/33/76/06/657337606.db2.gz ZEURQKOBHSMRCM-XJKSGUPXSA-N 2 2 382.302 1.630 20 0 GDADLP [NH3+][C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1ccc(Br)cc1 ZINC000884338580 657348352 /nfs/dbraw/zinc/34/83/52/657348352.db2.gz MNRJROGJCZKTIH-JCYILVPMSA-N 2 2 395.345 1.782 20 0 GDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ncc(Br)cc2O)CC1 ZINC000891835154 658276716 /nfs/dbraw/zinc/27/67/16/658276716.db2.gz XGZNEZPACXULCG-UHFFFAOYSA-N 2 2 385.306 1.440 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000894139038 658511286 /nfs/dbraw/zinc/51/12/86/658511286.db2.gz QZFCORAFFXNCKV-UHFFFAOYSA-N 2 2 394.317 1.824 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000894183106 658518158 /nfs/dbraw/zinc/51/81/58/658518158.db2.gz JQCUHZRSKXFQEW-UHFFFAOYSA-N 2 2 380.294 1.014 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737173 659378341 /nfs/dbraw/zinc/37/83/41/659378341.db2.gz PRUXFFOYARWQLH-CQSZACIVSA-N 2 2 397.317 1.873 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(Br)cn1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903737173 659378346 /nfs/dbraw/zinc/37/83/46/659378346.db2.gz PRUXFFOYARWQLH-CQSZACIVSA-N 2 2 397.317 1.873 20 0 GDADLP S=C(NCCC[NH+]1CCOCC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000915124165 660161881 /nfs/dbraw/zinc/16/18/81/660161881.db2.gz LIBOAEFMOQWOHK-UHFFFAOYSA-N 2 2 386.631 1.534 20 0 GDADLP Cc1noc([C@@H]2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@H]3O2)n1 ZINC001164651898 719299530 /nfs/dbraw/zinc/29/95/30/719299530.db2.gz MQOGZVKJDKYKQH-YESZJQIVSA-N 2 2 384.484 1.881 20 0 GDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164683706 719734456 /nfs/dbraw/zinc/73/44/56/719734456.db2.gz CSPGNKHOFBYIAJ-WAYWQWQTSA-N 2 2 386.496 1.757 20 0 GDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1[nH+]cc(C)cc1/C=C\C(=O)OC)CC2 ZINC001164683706 719734465 /nfs/dbraw/zinc/73/44/65/719734465.db2.gz CSPGNKHOFBYIAJ-WAYWQWQTSA-N 2 2 386.496 1.757 20 0 GDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1cc3[nH]ccc3c[nH+]1)C2 ZINC001164822370 720434993 /nfs/dbraw/zinc/43/49/93/720434993.db2.gz DFNWFTZWZAYLHW-QGZVFWFLSA-N 2 2 396.495 1.749 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@H]2C1 ZINC001164857370 720864447 /nfs/dbraw/zinc/86/44/47/720864447.db2.gz QOAUYTJOWJTXIY-ZWKOTPCHSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@H]2C1 ZINC001164857370 720864449 /nfs/dbraw/zinc/86/44/49/720864449.db2.gz QOAUYTJOWJTXIY-ZWKOTPCHSA-N 2 2 375.517 1.640 20 0 GDADLP Cn1cc(C(=O)N2CC[C@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164768683 721037068 /nfs/dbraw/zinc/03/70/68/721037068.db2.gz VJGSBJUYLXGSOZ-ROUUACIJSA-N 2 2 395.511 1.060 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164768475 721225333 /nfs/dbraw/zinc/22/53/33/721225333.db2.gz LDTOBYJAUMVOBO-ZWKOTPCHSA-N 2 2 399.568 1.722 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164768475 721225341 /nfs/dbraw/zinc/22/53/41/721225341.db2.gz LDTOBYJAUMVOBO-ZWKOTPCHSA-N 2 2 399.568 1.722 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@H]43)[nH+]2)CC1 ZINC001164892692 721457755 /nfs/dbraw/zinc/45/77/55/721457755.db2.gz XFSDPCLOJNMXRN-FGTMMUONSA-N 2 2 385.512 1.096 20 0 GDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164945971 721971813 /nfs/dbraw/zinc/97/18/13/721971813.db2.gz VGTUDYINSGSEFD-UHFFFAOYSA-N 2 2 378.480 1.051 20 0 GDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c1C[NH2+]C3)CC2 ZINC001164945971 721971816 /nfs/dbraw/zinc/97/18/16/721971816.db2.gz VGTUDYINSGSEFD-UHFFFAOYSA-N 2 2 378.480 1.051 20 0 GDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164946448 721982128 /nfs/dbraw/zinc/98/21/28/721982128.db2.gz FYGOFFLUVGSUKZ-UHFFFAOYSA-N 2 2 392.507 1.134 20 0 GDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1cc(C3C[NH2+]C3)ncn1)CC2 ZINC001164946448 721982132 /nfs/dbraw/zinc/98/21/32/721982132.db2.gz FYGOFFLUVGSUKZ-UHFFFAOYSA-N 2 2 392.507 1.134 20 0 GDADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358978 945427968 /nfs/dbraw/zinc/42/79/68/945427968.db2.gz QRNBSFKPNIAPNZ-PBHICJAKSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1cccc(-c2nn[nH]n2)c1 ZINC000820358978 945427979 /nfs/dbraw/zinc/42/79/79/945427979.db2.gz QRNBSFKPNIAPNZ-PBHICJAKSA-N 2 2 398.515 1.395 20 0 GDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571280955 945795733 /nfs/dbraw/zinc/79/57/33/945795733.db2.gz ALWJMZPSEPVRPS-HNNXBMFYSA-N 2 2 387.463 1.182 20 0 GDADLP O=C(C[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001571280955 945795745 /nfs/dbraw/zinc/79/57/45/945795745.db2.gz ALWJMZPSEPVRPS-HNNXBMFYSA-N 2 2 387.463 1.182 20 0 GDADLP C[C@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CC[NH+](C)CC1 ZINC000824429056 946705790 /nfs/dbraw/zinc/70/57/90/946705790.db2.gz VRFDVFLZECFKTP-QGZVFWFLSA-N 3 2 398.559 1.057 20 0 GDADLP C[N@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825938922 947376917 /nfs/dbraw/zinc/37/69/17/947376917.db2.gz ZDYUGSUASMKRPJ-KRWDZBQOSA-N 2 2 380.456 1.581 20 0 GDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825938922 947376930 /nfs/dbraw/zinc/37/69/30/947376930.db2.gz ZDYUGSUASMKRPJ-KRWDZBQOSA-N 2 2 380.456 1.581 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@@H]2CCO[C@@]3(CCOC3)C2)CC1 ZINC000826513800 948439450 /nfs/dbraw/zinc/43/94/50/948439450.db2.gz WKFAOJAUUIVAIM-CTNGQTDRSA-N 2 2 398.511 1.759 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574725253 949895721 /nfs/dbraw/zinc/89/57/21/949895721.db2.gz QJHSCBFSOQTCII-GFCCVEGCSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575905730 950299391 /nfs/dbraw/zinc/29/93/91/950299391.db2.gz DTQRRNYXLYQTNM-BZNIZROVSA-N 2 2 384.419 1.051 20 0 GDADLP CC1CC[NH+](CC(=O)N(C)CCCN(C)c2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001576197427 950393717 /nfs/dbraw/zinc/39/37/17/950393717.db2.gz NLNKGFRRBNDFMJ-UHFFFAOYSA-N 2 2 386.504 1.278 20 0 GDADLP C[C@@H](CC(=O)NCC[N@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574509581 950515252 /nfs/dbraw/zinc/51/52/52/950515252.db2.gz SINAGJCYCVRBRX-ZDUSSCGKSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@@H](CC(=O)NCC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574509581 950515272 /nfs/dbraw/zinc/51/52/72/950515272.db2.gz SINAGJCYCVRBRX-ZDUSSCGKSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1cc[nH+]c1 ZINC001574513487 950607704 /nfs/dbraw/zinc/60/77/04/950607704.db2.gz QSBCASIMTPEFMN-RKVPGOIHSA-N 2 2 394.483 1.794 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1cc[nH+]c1 ZINC001574513487 950607724 /nfs/dbraw/zinc/60/77/24/950607724.db2.gz QSBCASIMTPEFMN-RKVPGOIHSA-N 2 2 394.483 1.794 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575104838 951887658 /nfs/dbraw/zinc/88/76/58/951887658.db2.gz FDDBRDLMOUUQTO-CQSZACIVSA-N 2 2 382.472 1.075 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119913 952497405 /nfs/dbraw/zinc/49/74/05/952497405.db2.gz GWNYDKFHXFZHCB-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119913 952497407 /nfs/dbraw/zinc/49/74/07/952497407.db2.gz GWNYDKFHXFZHCB-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119913 952497410 /nfs/dbraw/zinc/49/74/10/952497410.db2.gz GWNYDKFHXFZHCB-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119913 952497413 /nfs/dbraw/zinc/49/74/13/952497413.db2.gz GWNYDKFHXFZHCB-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP Cc1sc(NC(=O)C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001571120133 952498962 /nfs/dbraw/zinc/49/89/62/952498962.db2.gz HZDBTDYBLFRBPS-OLZOCXBDSA-N 2 2 375.502 1.367 20 0 GDADLP Cc1sc(NC(=O)C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001571120133 952498964 /nfs/dbraw/zinc/49/89/64/952498964.db2.gz HZDBTDYBLFRBPS-OLZOCXBDSA-N 2 2 375.502 1.367 20 0 GDADLP Cc1sc(NC(=O)C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001571120133 952498965 /nfs/dbraw/zinc/49/89/65/952498965.db2.gz HZDBTDYBLFRBPS-OLZOCXBDSA-N 2 2 375.502 1.367 20 0 GDADLP Cc1sc(NC(=O)C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)c(-c2nn[nH]n2)c1C ZINC001571120133 952498967 /nfs/dbraw/zinc/49/89/67/952498967.db2.gz HZDBTDYBLFRBPS-OLZOCXBDSA-N 2 2 375.502 1.367 20 0 GDADLP CC1(C)C[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001571167179 952771010 /nfs/dbraw/zinc/77/10/10/952771010.db2.gz XMGGWXPTRZKAAP-MRXNPFEDSA-N 2 2 380.456 1.090 20 0 GDADLP CC1(C)C[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C[C@H]1NC(=O)Cn1cc[nH+]c1 ZINC001571167179 952771014 /nfs/dbraw/zinc/77/10/14/952771014.db2.gz XMGGWXPTRZKAAP-MRXNPFEDSA-N 2 2 380.456 1.090 20 0 GDADLP Cc1ncsc1C[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000174404303 530647454 /nfs/dbraw/zinc/64/74/54/530647454.db2.gz PTLBEWVPRFHGMC-UHFFFAOYSA-N 2 2 380.539 1.677 20 0 GDADLP O[C@]1(C(F)(F)F)CC[NH+](CCOCC[N@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177279944 530700489 /nfs/dbraw/zinc/70/04/89/530700489.db2.gz PGSAJGDNPKSLGR-TXEJJXNPSA-N 2 2 380.329 1.001 20 0 GDADLP O[C@]1(C(F)(F)F)CC[NH+](CCOCC[N@@H+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177279944 530700494 /nfs/dbraw/zinc/70/04/94/530700494.db2.gz PGSAJGDNPKSLGR-TXEJJXNPSA-N 2 2 380.329 1.001 20 0 GDADLP O[C@]1(C(F)(F)F)CC[N@@H+](CCOCC[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177279944 530700499 /nfs/dbraw/zinc/70/04/99/530700499.db2.gz PGSAJGDNPKSLGR-TXEJJXNPSA-N 2 2 380.329 1.001 20 0 GDADLP O[C@]1(C(F)(F)F)CC[N@H+](CCOCC[NH+]2CC[C@@](O)(C(F)(F)F)C2)C1 ZINC000177279944 530700502 /nfs/dbraw/zinc/70/05/02/530700502.db2.gz PGSAJGDNPKSLGR-TXEJJXNPSA-N 2 2 380.329 1.001 20 0 GDADLP Cc1cc(F)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000181070552 530777359 /nfs/dbraw/zinc/77/73/59/530777359.db2.gz NSPAYFLPHRFXQF-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP Cc1cc(F)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1F ZINC000181070552 530777360 /nfs/dbraw/zinc/77/73/60/530777360.db2.gz NSPAYFLPHRFXQF-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261797589 531099070 /nfs/dbraw/zinc/09/90/70/531099070.db2.gz QRKZUXZEZCSPMT-IIYDPXPESA-N 2 2 384.318 1.537 20 0 GDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261797589 531099072 /nfs/dbraw/zinc/09/90/72/531099072.db2.gz QRKZUXZEZCSPMT-IIYDPXPESA-N 2 2 384.318 1.537 20 0 GDADLP O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261928372 531102904 /nfs/dbraw/zinc/10/29/04/531102904.db2.gz LFNIDIARMIFCTB-HNNXBMFYSA-N 2 2 396.329 1.972 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)NCc3n[nH]cc3Br)CC2)CC1 ZINC000523167244 531264752 /nfs/dbraw/zinc/26/47/52/531264752.db2.gz UYMDDHYSDHLVJU-UHFFFAOYSA-N 2 2 399.337 1.530 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cncc(Br)c1 ZINC000657884198 531497852 /nfs/dbraw/zinc/49/78/52/531497852.db2.gz MXKGLVQCHQFCJZ-PBHICJAKSA-N 2 2 383.334 1.901 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000638134295 531645296 /nfs/dbraw/zinc/64/52/96/531645296.db2.gz OEYFPZDVFPAXRL-OAHLLOKOSA-N 2 2 389.949 1.920 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000638134295 531645301 /nfs/dbraw/zinc/64/53/01/531645301.db2.gz OEYFPZDVFPAXRL-OAHLLOKOSA-N 2 2 389.949 1.920 20 0 GDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)[C@@H](C)CO1 ZINC000662634296 531692461 /nfs/dbraw/zinc/69/24/61/531692461.db2.gz QWDXYPOULVYWPC-OGHNNQOOSA-N 2 2 384.318 1.848 20 0 GDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)[C@@H](C)CO1 ZINC000662634296 531692469 /nfs/dbraw/zinc/69/24/69/531692469.db2.gz QWDXYPOULVYWPC-OGHNNQOOSA-N 2 2 384.318 1.848 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417217241 531761186 /nfs/dbraw/zinc/76/11/86/531761186.db2.gz KBJPCSZQPAKWHY-MRXNPFEDSA-N 2 2 378.274 1.992 20 0 GDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000595929692 531893954 /nfs/dbraw/zinc/89/39/54/531893954.db2.gz XKILSXPMXSZJSB-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP CN(C)C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000625983050 531921648 /nfs/dbraw/zinc/92/16/48/531921648.db2.gz CNUNLHCSIVSKMJ-CRAIPNDOSA-N 2 2 389.371 1.794 20 0 GDADLP CN1CC[NH+](C[C@H](O)CN[C@H](C[NH+](C)C)c2ccc(Cl)c(Cl)c2)CC1 ZINC000625983050 531921649 /nfs/dbraw/zinc/92/16/49/531921649.db2.gz CNUNLHCSIVSKMJ-CRAIPNDOSA-N 2 2 389.371 1.794 20 0 GDADLP CN(C)C(=O)CC[NH+]1CCN(Cc2c[nH+]c3ccc(Br)cn23)CC1 ZINC000271183499 531977045 /nfs/dbraw/zinc/97/70/45/531977045.db2.gz LDXVUUULNUPFAL-UHFFFAOYSA-N 2 2 394.317 1.693 20 0 GDADLP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000419985129 531993165 /nfs/dbraw/zinc/99/31/65/531993165.db2.gz YIJMMVDHFYSYCB-LBPRGKRZSA-N 2 2 396.289 1.203 20 0 GDADLP CS(=O)(=O)c1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1C(F)(F)F ZINC000629580382 531984220 /nfs/dbraw/zinc/98/42/20/531984220.db2.gz WHWMOIAWVGZUDT-ZDUSSCGKSA-N 2 2 380.432 1.655 20 0 GDADLP O=S(=O)(NCC[NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(Cl)c1Cl ZINC000629581332 531984275 /nfs/dbraw/zinc/98/42/75/531984275.db2.gz WJNALPXYIHMMHM-LBPRGKRZSA-N 2 2 396.340 1.318 20 0 GDADLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000422912332 532069240 /nfs/dbraw/zinc/06/92/40/532069240.db2.gz WBCJZZQKQRAHCL-UXIGCNINSA-N 2 2 390.265 1.619 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108734 532072603 /nfs/dbraw/zinc/07/26/03/532072603.db2.gz UGIYVLVDANNKDG-KBPBESRZSA-N 2 2 375.922 1.365 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2cscc2Br)CN1CC[NH+]1CCOCC1 ZINC000286545380 532158315 /nfs/dbraw/zinc/15/83/15/532158315.db2.gz OJTWUKXTPTUSGM-CYBMUJFWSA-N 2 2 388.331 1.533 20 0 GDADLP C[C@H](C[NH2+]Cc1ncc(I)s1)N1CC[NH+](C)CC1 ZINC000286763526 532174232 /nfs/dbraw/zinc/17/42/32/532174232.db2.gz ZJXXEMNQKFSQRA-SNVBAGLBSA-N 2 2 380.299 1.473 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428036004 532196510 /nfs/dbraw/zinc/19/65/10/532196510.db2.gz QMDKIQYCGMZUQB-RHSMWYFYSA-N 2 2 396.329 1.970 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428036004 532196512 /nfs/dbraw/zinc/19/65/12/532196512.db2.gz QMDKIQYCGMZUQB-RHSMWYFYSA-N 2 2 396.329 1.970 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)[nH+]c12 ZINC000333779232 532249894 /nfs/dbraw/zinc/24/98/94/532249894.db2.gz KPDAYAIKKCPJLA-BETUJISGSA-N 2 2 392.301 1.809 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289553277 532327688 /nfs/dbraw/zinc/32/76/88/532327688.db2.gz QJEXJWUCNYAPSV-AWEZNQCLSA-N 2 2 380.290 1.526 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000289553277 532327691 /nfs/dbraw/zinc/32/76/91/532327691.db2.gz QJEXJWUCNYAPSV-AWEZNQCLSA-N 2 2 380.290 1.526 20 0 GDADLP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238015438 570419560 /nfs/dbraw/zinc/41/95/60/570419560.db2.gz DYQJRNLUFOMUPR-RDTXWAMCSA-N 2 2 389.496 1.921 20 0 GDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[N@H+](C)C1CC1 ZINC000736017191 598270294 /nfs/dbraw/zinc/27/02/94/598270294.db2.gz JYIBNEXBPBPFEX-OAHLLOKOSA-N 2 2 398.515 1.177 20 0 GDADLP C[C@H](CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[N@@H+](C)C1CC1 ZINC000736017191 598270295 /nfs/dbraw/zinc/27/02/95/598270295.db2.gz JYIBNEXBPBPFEX-OAHLLOKOSA-N 2 2 398.515 1.177 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502931 598368145 /nfs/dbraw/zinc/36/81/45/598368145.db2.gz PFMRSCPOHMQFKD-ROUUACIJSA-N 2 2 392.467 1.814 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502931 598368147 /nfs/dbraw/zinc/36/81/47/598368147.db2.gz PFMRSCPOHMQFKD-ROUUACIJSA-N 2 2 392.467 1.814 20 0 GDADLP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738387179 598762720 /nfs/dbraw/zinc/76/27/20/598762720.db2.gz NSEZPVTZVYQLRH-WBVHZDCISA-N 2 2 395.467 1.435 20 0 GDADLP O[C@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738387179 598762721 /nfs/dbraw/zinc/76/27/21/598762721.db2.gz NSEZPVTZVYQLRH-WBVHZDCISA-N 2 2 395.467 1.435 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)CCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853656 598769318 /nfs/dbraw/zinc/76/93/18/598769318.db2.gz ZDKLRTBBGZHUOG-KRWDZBQOSA-N 2 2 383.500 1.084 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)CCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853656 598769320 /nfs/dbraw/zinc/76/93/20/598769320.db2.gz ZDKLRTBBGZHUOG-KRWDZBQOSA-N 2 2 383.500 1.084 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286119 599317119 /nfs/dbraw/zinc/31/71/19/599317119.db2.gz LYKKOQUSVMCXCA-GJYPPUQNSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CCN(C[C@@H]2C[NH+](C)CCO2)C[C@H]1C ZINC000736286119 599317121 /nfs/dbraw/zinc/31/71/21/599317121.db2.gz LYKKOQUSVMCXCA-GJYPPUQNSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@@H]2C[N@H+](C)CCO2)C[C@H]1C ZINC000736286119 599317123 /nfs/dbraw/zinc/31/71/23/599317123.db2.gz LYKKOQUSVMCXCA-GJYPPUQNSA-N 2 2 385.516 1.264 20 0 GDADLP C[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCN(C[C@@H]2C[N@@H+](C)CCO2)C[C@H]1C ZINC000736286119 599317124 /nfs/dbraw/zinc/31/71/24/599317124.db2.gz LYKKOQUSVMCXCA-GJYPPUQNSA-N 2 2 385.516 1.264 20 0 GDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cn2)CC1 ZINC000821276348 607473751 /nfs/dbraw/zinc/47/37/51/607473751.db2.gz JMJQQEZZXZHYGN-UHFFFAOYSA-N 2 2 396.474 1.833 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000821702563 606097431 /nfs/dbraw/zinc/09/74/31/606097431.db2.gz YCXNZNAXMRYSET-MRXNPFEDSA-N 2 2 386.500 1.918 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000821702563 606097436 /nfs/dbraw/zinc/09/74/36/606097436.db2.gz YCXNZNAXMRYSET-MRXNPFEDSA-N 2 2 386.500 1.918 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000821702563 606097440 /nfs/dbraw/zinc/09/74/40/606097440.db2.gz YCXNZNAXMRYSET-MRXNPFEDSA-N 2 2 386.500 1.918 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000821702563 606097444 /nfs/dbraw/zinc/09/74/44/606097444.db2.gz YCXNZNAXMRYSET-MRXNPFEDSA-N 2 2 386.500 1.918 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3F)CC2)CC1 ZINC000824295777 608407742 /nfs/dbraw/zinc/40/77/42/608407742.db2.gz ADZXDHYCOJMVMD-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826330705 608451706 /nfs/dbraw/zinc/45/17/06/608451706.db2.gz FARPSXYIXLTEJD-UHFFFAOYSA-N 2 2 397.487 1.839 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1cc[nH+]c1 ZINC000824957453 608453360 /nfs/dbraw/zinc/45/33/60/608453360.db2.gz XTVFCBMWQANXSU-RHSMWYFYSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1cc[nH+]c1 ZINC000824957453 608453361 /nfs/dbraw/zinc/45/33/61/608453361.db2.gz XTVFCBMWQANXSU-RHSMWYFYSA-N 2 2 380.456 1.263 20 0 GDADLP O=c1cc(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)nc2ccc(Br)cn12 ZINC000569863725 651014005 /nfs/dbraw/zinc/01/40/05/651014005.db2.gz PWBPXEKKEZWFGR-UHFFFAOYSA-N 2 2 389.257 1.502 20 0 GDADLP C[C@H]1C[NH+](CCC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000575690677 651598021 /nfs/dbraw/zinc/59/80/21/651598021.db2.gz KBFMJUFEUKSKBW-STQMWFEESA-N 2 2 375.922 1.576 20 0 GDADLP C(C[NH+]1CCO[C@]2(CCSC2)C1)OCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000583260430 652032603 /nfs/dbraw/zinc/03/26/03/652032603.db2.gz PIQJVBPLJFFCQI-HDICACEKSA-N 2 2 388.599 1.419 20 0 GDADLP C(C[NH+]1CCO[C@]2(CCSC2)C1)OCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000583260430 652032612 /nfs/dbraw/zinc/03/26/12/652032612.db2.gz PIQJVBPLJFFCQI-HDICACEKSA-N 2 2 388.599 1.419 20 0 GDADLP C(C[NH+]1CCO[C@@]2(CCSC2)C1)OCC[N@@H+]1CCO[C@]2(CCSC2)C1 ZINC000583260430 652032617 /nfs/dbraw/zinc/03/26/17/652032617.db2.gz PIQJVBPLJFFCQI-HDICACEKSA-N 2 2 388.599 1.419 20 0 GDADLP C(C[NH+]1CCO[C@@]2(CCSC2)C1)OCC[N@H+]1CCO[C@]2(CCSC2)C1 ZINC000583260430 652032623 /nfs/dbraw/zinc/03/26/23/652032623.db2.gz PIQJVBPLJFFCQI-HDICACEKSA-N 2 2 388.599 1.419 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000602205025 652624067 /nfs/dbraw/zinc/62/40/67/652624067.db2.gz OBNGJSINDVOKEC-LBPRGKRZSA-N 2 2 396.333 1.948 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3[nH]nc(C4CC4)c3Br)C2)CC1 ZINC000602205025 652624069 /nfs/dbraw/zinc/62/40/69/652624069.db2.gz OBNGJSINDVOKEC-LBPRGKRZSA-N 2 2 396.333 1.948 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cc(Br)cn1 ZINC000618401766 652982346 /nfs/dbraw/zinc/98/23/46/652982346.db2.gz PTJWWHXEXIVMCM-UHFFFAOYSA-N 2 2 386.338 1.520 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)CCn1cc(Br)cn1 ZINC000618401766 652982348 /nfs/dbraw/zinc/98/23/48/652982348.db2.gz PTJWWHXEXIVMCM-UHFFFAOYSA-N 2 2 386.338 1.520 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3cc(Br)c[nH]c3=O)c2)CC1 ZINC000634195241 653488303 /nfs/dbraw/zinc/48/83/03/653488303.db2.gz XIKYWALVLFUULI-UHFFFAOYSA-N 2 2 392.257 1.949 20 0 GDADLP O=C([C@@H]1C[NH2+]CCO1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557597 653610731 /nfs/dbraw/zinc/61/07/31/653610731.db2.gz NQRCBWDBWFZQHH-INIZCTEOSA-N 2 2 393.285 1.663 20 0 GDADLP C[NH+](C)CCN1CC[N@H+](CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000649686325 653671903 /nfs/dbraw/zinc/67/19/03/653671903.db2.gz CZAFYIBDJRUXEG-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[NH+](C)CCN1CC[N@@H+](CCC(=O)Nc2cccc(Br)c2)CC1=O ZINC000649686325 653671905 /nfs/dbraw/zinc/67/19/05/653671905.db2.gz CZAFYIBDJRUXEG-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP C[C@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)C[NH+]1CCOCC1 ZINC000662468507 654294764 /nfs/dbraw/zinc/29/47/64/654294764.db2.gz WNHNNQKGPYVWNU-SNVBAGLBSA-N 2 2 388.331 1.812 20 0 GDADLP C[NH2+][C@@H](C(=O)NCCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1Cl ZINC000662680343 654299428 /nfs/dbraw/zinc/29/94/28/654299428.db2.gz YRQOLQJVGOEFEH-MRXNPFEDSA-N 2 2 387.311 1.534 20 0 GDADLP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000685915142 654831742 /nfs/dbraw/zinc/83/17/42/654831742.db2.gz XQPPYYACDPXNSC-LLVKDONJSA-N 2 2 379.262 1.633 20 0 GDADLP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000685915142 654831744 /nfs/dbraw/zinc/83/17/44/654831744.db2.gz XQPPYYACDPXNSC-LLVKDONJSA-N 2 2 379.262 1.633 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000850596508 655560275 /nfs/dbraw/zinc/56/02/75/655560275.db2.gz RCUSMKOYOHQYHC-UHFFFAOYSA-N 2 2 381.424 1.100 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ncc(C(F)(F)F)s1 ZINC000850596508 655560277 /nfs/dbraw/zinc/56/02/77/655560277.db2.gz RCUSMKOYOHQYHC-UHFFFAOYSA-N 2 2 381.424 1.100 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(Br)ccc2F)C1 ZINC000866709822 655955732 /nfs/dbraw/zinc/95/57/32/655955732.db2.gz MEBMTTCCYCYJAJ-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(Br)ccc2F)C1 ZINC000866709822 655955733 /nfs/dbraw/zinc/95/57/33/655955733.db2.gz MEBMTTCCYCYJAJ-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000866714255 655956222 /nfs/dbraw/zinc/95/62/22/655956222.db2.gz JPGJVEVSASFXMV-DFBGVHRSSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2ccc(Br)c(F)c2)C1 ZINC000866714255 655956225 /nfs/dbraw/zinc/95/62/25/655956225.db2.gz JPGJVEVSASFXMV-DFBGVHRSSA-N 2 2 384.249 1.955 20 0 GDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870920350 656255659 /nfs/dbraw/zinc/25/56/59/656255659.db2.gz ACXNOVBJPPFOFR-QGZVFWFLSA-N 2 2 397.361 1.839 20 0 GDADLP FC(F)(F)C(F)(F)OCC[NH2+]C1CCN(CC[NH+]2CCOCC2)CC1 ZINC000872110761 656318382 /nfs/dbraw/zinc/31/83/82/656318382.db2.gz PHOCPBMFKCJRDT-UHFFFAOYSA-N 2 2 375.382 1.544 20 0 GDADLP FC(F)(F)C(F)(F)OCC[NH2+]C1CC[NH+](CCN2CCOCC2)CC1 ZINC000872110761 656318388 /nfs/dbraw/zinc/31/83/88/656318388.db2.gz PHOCPBMFKCJRDT-UHFFFAOYSA-N 2 2 375.382 1.544 20 0 GDADLP Cn1nnnc1CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000878602577 656736823 /nfs/dbraw/zinc/73/68/23/656736823.db2.gz YFBJTYCEYWRTEX-UHFFFAOYSA-N 2 2 380.250 1.507 20 0 GDADLP Cn1nnnc1CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000878602577 656736825 /nfs/dbraw/zinc/73/68/25/656736825.db2.gz YFBJTYCEYWRTEX-UHFFFAOYSA-N 2 2 380.250 1.507 20 0 GDADLP CN(C(=O)c1ncc(Br)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000932575649 657200442 /nfs/dbraw/zinc/20/04/42/657200442.db2.gz FHOXXFOKWYKCAR-CQSZACIVSA-N 2 2 382.306 1.480 20 0 GDADLP CN(C(=O)c1ncc(Br)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000932575649 657200450 /nfs/dbraw/zinc/20/04/50/657200450.db2.gz FHOXXFOKWYKCAR-CQSZACIVSA-N 2 2 382.306 1.480 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884179615 657333259 /nfs/dbraw/zinc/33/32/59/657333259.db2.gz VLMJEAVLXIYTAG-HZPDHXFCSA-N 2 2 382.302 1.772 20 0 GDADLP OC[C@]1(C(F)(F)F)CC[NH+](CCC[N@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808814 657698131 /nfs/dbraw/zinc/69/81/31/657698131.db2.gz PSMFOEGXIBMMLQ-STQMWFEESA-N 2 2 378.357 1.870 20 0 GDADLP OC[C@]1(C(F)(F)F)CC[NH+](CCC[N@@H+]2CC[C@](CO)(C(F)(F)F)C2)C1 ZINC000886808814 657698140 /nfs/dbraw/zinc/69/81/40/657698140.db2.gz PSMFOEGXIBMMLQ-STQMWFEESA-N 2 2 378.357 1.870 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)[nH+]c12 ZINC000891782286 658273447 /nfs/dbraw/zinc/27/34/47/658273447.db2.gz FNFVSGMRALTVEL-KBPBESRZSA-N 2 2 378.274 1.703 20 0 GDADLP C[NH+](C)Cc1ccc(C[NH2+]CCS(=O)(=O)C2CC2)c2c1OC(F)(F)O2 ZINC000894993558 658645854 /nfs/dbraw/zinc/64/58/54/658645854.db2.gz JZHOWBGDLPQNSC-UHFFFAOYSA-N 2 2 376.425 1.737 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C(=O)NCc3cscc3Cl)C2)CC1 ZINC000897720854 658882899 /nfs/dbraw/zinc/88/28/99/658882899.db2.gz DWKZHONXDKMBRY-CYBMUJFWSA-N 2 2 384.933 1.302 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C(=O)NCc3cscc3Cl)C2)CC1 ZINC000897720854 658882907 /nfs/dbraw/zinc/88/29/07/658882907.db2.gz DWKZHONXDKMBRY-CYBMUJFWSA-N 2 2 384.933 1.302 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cccc(F)c2Br)C1 ZINC000903476044 659316124 /nfs/dbraw/zinc/31/61/24/659316124.db2.gz LOFHUTWFJJPDSJ-YUTCNCBUSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cccc(F)c2Br)C1 ZINC000903476044 659316130 /nfs/dbraw/zinc/31/61/30/659316130.db2.gz LOFHUTWFJJPDSJ-YUTCNCBUSA-N 2 2 384.249 1.955 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912387397 660034677 /nfs/dbraw/zinc/03/46/77/660034677.db2.gz OZCNLZHWIDYJQF-UHFFFAOYSA-N 2 2 399.333 1.559 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cn(C2CC2)c1=O ZINC000912387397 660034680 /nfs/dbraw/zinc/03/46/80/660034680.db2.gz OZCNLZHWIDYJQF-UHFFFAOYSA-N 2 2 399.333 1.559 20 0 GDADLP COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809334 720078752 /nfs/dbraw/zinc/07/87/52/720078752.db2.gz JLKQJQQFTHYVGQ-NQIIRXRSSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809334 720078759 /nfs/dbraw/zinc/07/87/59/720078759.db2.gz JLKQJQQFTHYVGQ-NQIIRXRSSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807512 720139285 /nfs/dbraw/zinc/13/92/85/720139285.db2.gz CRKGQJSJMDQWFM-GHTZIAJQSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc[nH+]c(N3CCOCC3)n1)C2 ZINC001164807512 720139296 /nfs/dbraw/zinc/13/92/96/720139296.db2.gz CRKGQJSJMDQWFM-GHTZIAJQSA-N 2 2 387.528 1.498 20 0 GDADLP CCc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)cc(C)[nH+]1 ZINC001164717180 720198237 /nfs/dbraw/zinc/19/82/37/720198237.db2.gz UKEGVEMLYXLGMB-KRWDZBQOSA-N 2 2 385.516 1.692 20 0 GDADLP c1cc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745896 720755906 /nfs/dbraw/zinc/75/59/06/720755906.db2.gz WFZQVQBCIZMCFM-IRXDYDNUSA-N 2 2 381.484 1.599 20 0 GDADLP c1cc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745896 720755913 /nfs/dbraw/zinc/75/59/13/720755913.db2.gz WFZQVQBCIZMCFM-IRXDYDNUSA-N 2 2 381.484 1.599 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C\C(=O)OC)CC[C@@H]2C1 ZINC001164856089 720868651 /nfs/dbraw/zinc/86/86/51/720868651.db2.gz OTFPGLNYSLOEBD-XOIGSVRCSA-N 2 2 389.496 1.750 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C\C(=O)OC)CC[C@@H]2C1 ZINC001164856089 720868654 /nfs/dbraw/zinc/86/86/54/720868654.db2.gz OTFPGLNYSLOEBD-XOIGSVRCSA-N 2 2 389.496 1.750 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164865305 720884132 /nfs/dbraw/zinc/88/41/32/720884132.db2.gz ZXXGOZFGYRSWBC-SJORKVTESA-N 2 2 393.557 1.203 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164865305 720884135 /nfs/dbraw/zinc/88/41/35/720884135.db2.gz ZXXGOZFGYRSWBC-SJORKVTESA-N 2 2 393.557 1.203 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164773398 721167170 /nfs/dbraw/zinc/16/71/70/721167170.db2.gz WYVXOMORPNJNEQ-MSOLQXFVSA-N 3 2 396.543 1.096 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164773398 721167178 /nfs/dbraw/zinc/16/71/78/721167178.db2.gz WYVXOMORPNJNEQ-MSOLQXFVSA-N 3 2 396.543 1.096 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@@H](C(=O)NCC5CC5)C[C@@H]43)[nH+]2)CC1 ZINC001164892694 721458227 /nfs/dbraw/zinc/45/82/27/721458227.db2.gz XFSDPCLOJNMXRN-OKZBNKHCSA-N 2 2 385.512 1.096 20 0 GDADLP Cc1c[nH+]c(N2CCn3cc(CN4CC[NH+](C)CC4)nc3C2)nc1NC1CC1 ZINC001164797072 721508094 /nfs/dbraw/zinc/50/80/94/721508094.db2.gz YNXOJHBDZCNOHS-UHFFFAOYSA-N 2 2 382.516 1.323 20 0 GDADLP Cc1c[nH]c2nc[nH+]c(N3CCc4ncnc(N5CC[NH+](C)CC5)c4CC3)c12 ZINC001164996077 722229071 /nfs/dbraw/zinc/22/90/71/722229071.db2.gz CYRJJIGDQRWKHC-UHFFFAOYSA-N 2 2 378.484 1.413 20 0 GDADLP Cn1ccc2c1nc[nH+]c2N1CCc2ncnc(N3CC[NH+](C)CC3)c2CC1 ZINC001164996059 722230788 /nfs/dbraw/zinc/23/07/88/722230788.db2.gz BYRFVHSTCIGNHH-UHFFFAOYSA-N 2 2 378.484 1.115 20 0 GDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271373 945642908 /nfs/dbraw/zinc/64/29/08/945642908.db2.gz BATXJACGBRUVIY-VXGBXAGGSA-N 2 2 386.485 1.078 20 0 GDADLP CC(C)[NH+]1CCC([NH+]2CCN(c3nc4ccccn4c3-c3nn[nH]n3)CC2)CC1 ZINC000824296662 946646503 /nfs/dbraw/zinc/64/65/03/946646503.db2.gz JYFTXAABPMAVJA-UHFFFAOYSA-N 2 2 395.515 1.509 20 0 GDADLP CN(CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)CC(F)(F)F ZINC000825941340 947379492 /nfs/dbraw/zinc/37/94/92/947379492.db2.gz GJUBJSWILBLPOT-UHFFFAOYSA-N 2 2 397.449 1.915 20 0 GDADLP CS[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227275 947667223 /nfs/dbraw/zinc/66/72/23/947667223.db2.gz OQKFYYLRQSTAGH-DYVFJYSZSA-N 2 2 376.530 1.533 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918522 948848149 /nfs/dbraw/zinc/84/81/49/948848149.db2.gz MGJUPOBXUIIEAC-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918522 948848157 /nfs/dbraw/zinc/84/81/57/948848157.db2.gz MGJUPOBXUIIEAC-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1c[nH+]c[nH]1 ZINC001573764310 948885185 /nfs/dbraw/zinc/88/51/85/948885185.db2.gz MGPPHHGPJGDDNQ-OAHLLOKOSA-N 2 2 380.456 1.258 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574477937 949683114 /nfs/dbraw/zinc/68/31/14/949683114.db2.gz SWBDXSHUIXZDSJ-ZDUSSCGKSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574725954 949917577 /nfs/dbraw/zinc/91/75/77/949917577.db2.gz WDNUTMLBRBWTDD-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193369 950296733 /nfs/dbraw/zinc/29/67/33/950296733.db2.gz UBWUZPOQRNJAKB-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193369 950296749 /nfs/dbraw/zinc/29/67/49/950296749.db2.gz UBWUZPOQRNJAKB-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193369 950296765 /nfs/dbraw/zinc/29/67/65/950296765.db2.gz UBWUZPOQRNJAKB-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193369 950296780 /nfs/dbraw/zinc/29/67/80/950296780.db2.gz UBWUZPOQRNJAKB-ZIAGYGMSSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574502131 950358227 /nfs/dbraw/zinc/35/82/27/950358227.db2.gz JGINGHXYIXFSLR-UONOGXRCSA-N 2 2 381.444 1.052 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205069 950492228 /nfs/dbraw/zinc/49/22/28/950492228.db2.gz GNDKVAJRQSGWJV-GOSISDBHSA-N 2 2 383.500 1.289 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC001576205069 950492246 /nfs/dbraw/zinc/49/22/46/950492246.db2.gz GNDKVAJRQSGWJV-GOSISDBHSA-N 2 2 383.500 1.289 20 0 GDADLP C[C@@](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001575090110 951757543 /nfs/dbraw/zinc/75/75/43/951757543.db2.gz JOEJQDJCWHEYRC-KRWDZBQOSA-N 2 2 386.485 1.199 20 0 GDADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575114027 951950666 /nfs/dbraw/zinc/95/06/66/951950666.db2.gz KVRCIJJVMLBRFQ-UONOGXRCSA-N 2 2 382.472 1.311 20 0 GDADLP C[C@H](CNC(=O)c1cc2c[nH+]ccc2[nH]1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575115568 951966688 /nfs/dbraw/zinc/96/66/88/951966688.db2.gz YHHVHLLBHAKEIK-ZDUSSCGKSA-N 2 2 390.451 1.899 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571169814 952779576 /nfs/dbraw/zinc/77/95/76/952779576.db2.gz OFCOBLQHDOGBEH-UHFFFAOYSA-N 2 2 380.456 1.222 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001571170524 952787024 /nfs/dbraw/zinc/78/70/24/952787024.db2.gz VVUJGRQRUAPPQH-KRWDZBQOSA-N 2 2 380.456 1.186 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCN(C(=O)CCn2cc[nH+]c2)C1 ZINC001571170524 952787026 /nfs/dbraw/zinc/78/70/26/952787026.db2.gz VVUJGRQRUAPPQH-KRWDZBQOSA-N 2 2 380.456 1.186 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2cccc(Br)c2)CN1CC[NH+]1CCOCC1 ZINC000172698099 530616819 /nfs/dbraw/zinc/61/68/19/530616819.db2.gz IXIMCIQKBXHAJK-MRXNPFEDSA-N 2 2 382.302 1.472 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2ccc(Br)s2)CN1CC[NH+]1CCOCC1 ZINC000172697596 530617109 /nfs/dbraw/zinc/61/71/09/530617109.db2.gz UBIJWDIHLFSTPO-LBPRGKRZSA-N 2 2 388.331 1.533 20 0 GDADLP Brc1cncc(C[NH2+]CCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000186586604 530858260 /nfs/dbraw/zinc/85/82/60/530858260.db2.gz GUVQNBIKEZSDQF-UHFFFAOYSA-N 2 2 391.317 1.936 20 0 GDADLP CN(Cc1ccccc1Br)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261768739 531098371 /nfs/dbraw/zinc/09/83/71/531098371.db2.gz WQHAGODTBFOSIZ-INIZCTEOSA-N 2 2 395.345 1.387 20 0 GDADLP Cc1nn(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1Br ZINC000261768530 531098399 /nfs/dbraw/zinc/09/83/99/531098399.db2.gz DNGYPKDKVYHADE-CYBMUJFWSA-N 2 2 384.322 1.135 20 0 GDADLP Cc1nn(C)c(C[N@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1Br ZINC000261768530 531098401 /nfs/dbraw/zinc/09/84/01/531098401.db2.gz DNGYPKDKVYHADE-CYBMUJFWSA-N 2 2 384.322 1.135 20 0 GDADLP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357317 531244939 /nfs/dbraw/zinc/24/49/39/531244939.db2.gz OUUUXVFUDNELHE-SWLSCSKDSA-N 2 2 385.917 1.298 20 0 GDADLP C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357317 531244944 /nfs/dbraw/zinc/24/49/44/531244944.db2.gz OUUUXVFUDNELHE-SWLSCSKDSA-N 2 2 385.917 1.298 20 0 GDADLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439277227 531319908 /nfs/dbraw/zinc/31/99/08/531319908.db2.gz VPVQUPWLRCUTOX-AWEZNQCLSA-N 2 2 386.484 1.312 20 0 GDADLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439277227 531319911 /nfs/dbraw/zinc/31/99/11/531319911.db2.gz VPVQUPWLRCUTOX-AWEZNQCLSA-N 2 2 386.484 1.312 20 0 GDADLP [NH3+]C[C@H]1C[N@H+](CCCOc2cccc(I)c2)CCO1 ZINC000478265365 531340802 /nfs/dbraw/zinc/34/08/02/531340802.db2.gz NHECJXZTIORAKE-AWEZNQCLSA-N 2 2 376.238 1.720 20 0 GDADLP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc(I)c2)CCO1 ZINC000478265365 531340808 /nfs/dbraw/zinc/34/08/08/531340808.db2.gz NHECJXZTIORAKE-AWEZNQCLSA-N 2 2 376.238 1.720 20 0 GDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000414364437 531444473 /nfs/dbraw/zinc/44/44/73/531444473.db2.gz ZUMDPGYNQXRYCG-PWSUYJOCSA-N 2 2 376.320 1.669 20 0 GDADLP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000414364437 531444476 /nfs/dbraw/zinc/44/44/76/531444476.db2.gz ZUMDPGYNQXRYCG-PWSUYJOCSA-N 2 2 376.320 1.669 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@H](O)COc2ccccc2Br)n1C ZINC000414378680 531445482 /nfs/dbraw/zinc/44/54/82/531445482.db2.gz LBZKSPNRLSMLGX-ZDUSSCGKSA-N 2 2 383.290 1.778 20 0 GDADLP COc1ccc(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1Br ZINC000486051943 531445495 /nfs/dbraw/zinc/44/54/95/531445495.db2.gz IIBMWAWICGJUCL-AWEZNQCLSA-N 2 2 382.302 1.854 20 0 GDADLP COc1ccc(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1Br ZINC000486051943 531445501 /nfs/dbraw/zinc/44/55/01/531445501.db2.gz IIBMWAWICGJUCL-AWEZNQCLSA-N 2 2 382.302 1.854 20 0 GDADLP O=C(C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)NCCc1cccc(Cl)c1Cl ZINC000489930734 531514874 /nfs/dbraw/zinc/51/48/74/531514874.db2.gz DTIGPZDKHFOYTP-HNNXBMFYSA-N 2 2 385.339 1.632 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(I)cc1 ZINC000295186450 531535748 /nfs/dbraw/zinc/53/57/48/531535748.db2.gz NJXCPZQVCFNJSW-AWEZNQCLSA-N 2 2 387.265 1.721 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(I)cc1 ZINC000295186450 531535759 /nfs/dbraw/zinc/53/57/59/531535759.db2.gz NJXCPZQVCFNJSW-AWEZNQCLSA-N 2 2 387.265 1.721 20 0 GDADLP CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365504598 531657504 /nfs/dbraw/zinc/65/75/04/531657504.db2.gz XKURRCOYALOIOC-AWEZNQCLSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365504598 531657515 /nfs/dbraw/zinc/65/75/15/531657515.db2.gz XKURRCOYALOIOC-AWEZNQCLSA-N 2 2 397.317 1.790 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)s1 ZINC000638963534 531678374 /nfs/dbraw/zinc/67/83/74/531678374.db2.gz ZSWPUFLWQYEQAG-UHFFFAOYSA-N 2 2 387.571 1.720 20 0 GDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662545780 531687558 /nfs/dbraw/zinc/68/75/58/531687558.db2.gz SBICAOPMTJZMNL-HNNXBMFYSA-N 2 2 392.301 1.968 20 0 GDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662545782 531687988 /nfs/dbraw/zinc/68/79/88/531687988.db2.gz SBICAOPMTJZMNL-OAHLLOKOSA-N 2 2 392.301 1.968 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417227427 531763019 /nfs/dbraw/zinc/76/30/19/531763019.db2.gz VJGLMZJOMXQINZ-LLVKDONJSA-N 2 2 388.216 1.893 20 0 GDADLP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675782810 531912518 /nfs/dbraw/zinc/91/25/18/531912518.db2.gz YSDAIRNTTWNWBG-CYBMUJFWSA-N 2 2 397.317 1.530 20 0 GDADLP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000574914764 532002853 /nfs/dbraw/zinc/00/28/53/532002853.db2.gz JGADKRCVAXMTJJ-HNNXBMFYSA-N 2 2 388.295 1.964 20 0 GDADLP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420123374 532004233 /nfs/dbraw/zinc/00/42/33/532004233.db2.gz NKWYZFYJIJTAFG-LBPRGKRZSA-N 2 2 396.289 1.347 20 0 GDADLP O=S(=O)(NCC[NH2+]C1CC[NH+](CCC(F)(F)F)CC1)c1ccccc1 ZINC000463069512 532051226 /nfs/dbraw/zinc/05/12/26/532051226.db2.gz XMGKHAKXOFBEQC-UHFFFAOYSA-N 2 2 379.448 1.971 20 0 GDADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422879522 532068018 /nfs/dbraw/zinc/06/80/18/532068018.db2.gz MGUWZBXGNGLERN-SJORKVTESA-N 2 2 396.329 1.926 20 0 GDADLP Cc1nn(C)c(C[NH+]2CCC(C(=O)N3CC[NH+](C)CC3)CC2)c1Br ZINC000579776288 532068781 /nfs/dbraw/zinc/06/87/81/532068781.db2.gz GEOHGIUCBJBDRP-UHFFFAOYSA-N 2 2 398.349 1.477 20 0 GDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000423077740 532071105 /nfs/dbraw/zinc/07/11/05/532071105.db2.gz UHTLLIJRPJYXLE-WBAXXEDZSA-N 2 2 383.330 1.957 20 0 GDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000423077739 532071140 /nfs/dbraw/zinc/07/11/40/532071140.db2.gz UHTLLIJRPJYXLE-QGTPRVQTSA-N 2 2 383.330 1.957 20 0 GDADLP C[NH+](C)CCS(=O)(=O)c1ccccc1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000423750764 532081435 /nfs/dbraw/zinc/08/14/35/532081435.db2.gz VJCXSUFBBNOXFU-ZDUSSCGKSA-N 2 2 381.420 1.031 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[NH+](C)CC3)[nH+]c12 ZINC000273603952 532159090 /nfs/dbraw/zinc/15/90/90/532159090.db2.gz ZTOCUGZNKANDHR-UHFFFAOYSA-N 2 2 380.290 1.905 20 0 GDADLP COc1ccc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000377409508 532258709 /nfs/dbraw/zinc/25/87/09/532258709.db2.gz IGHFZSAXYSDXQZ-MRXNPFEDSA-N 2 2 398.345 1.954 20 0 GDADLP C[C@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133774 598885939 /nfs/dbraw/zinc/88/59/39/598885939.db2.gz SFYWJXFUOMGUKQ-GJZGRUSLSA-N 2 2 395.515 1.824 20 0 GDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112983 598972936 /nfs/dbraw/zinc/97/29/36/598972936.db2.gz LMKPLXBCCKHYEW-RHSMWYFYSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112983 598972938 /nfs/dbraw/zinc/97/29/38/598972938.db2.gz LMKPLXBCCKHYEW-RHSMWYFYSA-N 2 2 398.515 1.395 20 0 GDADLP CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851188 599010223 /nfs/dbraw/zinc/01/02/23/599010223.db2.gz GSAGHUASDUAFCL-KRWDZBQOSA-N 2 2 384.488 1.499 20 0 GDADLP CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851188 599010225 /nfs/dbraw/zinc/01/02/25/599010225.db2.gz GSAGHUASDUAFCL-KRWDZBQOSA-N 2 2 384.488 1.499 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705137 599075210 /nfs/dbraw/zinc/07/52/10/599075210.db2.gz FRKLUNDPXAEREO-WBVHZDCISA-N 2 2 380.456 1.489 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705137 599075214 /nfs/dbraw/zinc/07/52/14/599075214.db2.gz FRKLUNDPXAEREO-WBVHZDCISA-N 2 2 380.456 1.489 20 0 GDADLP C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736801839 598366500 /nfs/dbraw/zinc/36/65/00/598366500.db2.gz LXBSLRFKKHKQBK-UHFFFAOYSA-N 2 2 396.499 1.538 20 0 GDADLP C[N@@H+](CCOc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](CCn2cccn2)CC1 ZINC000736801839 598366502 /nfs/dbraw/zinc/36/65/02/598366502.db2.gz LXBSLRFKKHKQBK-UHFFFAOYSA-N 2 2 396.499 1.538 20 0 GDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810112 599404713 /nfs/dbraw/zinc/40/47/13/599404713.db2.gz WYBKHLUPKPSVQZ-GOSISDBHSA-N 2 2 394.479 1.384 20 0 GDADLP COc1ccc(C[NH2+]C[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1-c1nn[nH]n1 ZINC000821810112 599404716 /nfs/dbraw/zinc/40/47/16/599404716.db2.gz WYBKHLUPKPSVQZ-GOSISDBHSA-N 2 2 394.479 1.384 20 0 GDADLP c1nc2ccc(-c3nn[nH]n3)cn2c1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000738421623 599491772 /nfs/dbraw/zinc/49/17/72/599491772.db2.gz RXWSENWJHYUCDR-QGZVFWFLSA-N 2 2 382.472 1.247 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000825865775 607471313 /nfs/dbraw/zinc/47/13/13/607471313.db2.gz KJJMXWRBFZZLQD-QGZVFWFLSA-N 2 2 394.483 1.216 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)CC2)CC1 ZINC000824297555 607472253 /nfs/dbraw/zinc/47/22/53/607472253.db2.gz WQYHFFLRZOZCLQ-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP CC[N@H+]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000821243186 606678978 /nfs/dbraw/zinc/67/89/78/606678978.db2.gz ZVGNCFAFLRQMRA-YJBOKZPZSA-N 2 2 398.515 1.034 20 0 GDADLP CC[N@@H+]1C[C@H](NC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000821243186 606678979 /nfs/dbraw/zinc/67/89/79/606678979.db2.gz ZVGNCFAFLRQMRA-YJBOKZPZSA-N 2 2 398.515 1.034 20 0 GDADLP Cc1cccc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000826304762 608016231 /nfs/dbraw/zinc/01/62/31/608016231.db2.gz XAXZOODSEVHAEU-OAHLLOKOSA-N 2 2 379.468 1.810 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1cc[nH+]c1 ZINC000824957591 608453009 /nfs/dbraw/zinc/45/30/09/608453009.db2.gz XTVFCBMWQANXSU-WMLDXEAASA-N 2 2 380.456 1.263 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@H]1n1cc[nH+]c1 ZINC000824957591 608453010 /nfs/dbraw/zinc/45/30/10/608453010.db2.gz XTVFCBMWQANXSU-WMLDXEAASA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000824957451 608453494 /nfs/dbraw/zinc/45/34/94/608453494.db2.gz XTVFCBMWQANXSU-PBHICJAKSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000824957451 608453495 /nfs/dbraw/zinc/45/34/95/608453495.db2.gz XTVFCBMWQANXSU-PBHICJAKSA-N 2 2 380.456 1.263 20 0 GDADLP CS[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@H]1[NH+](C)C ZINC000539492631 650335804 /nfs/dbraw/zinc/33/58/04/650335804.db2.gz FVZDLBYVGDYWIW-HUUCEWRRSA-N 2 2 383.587 1.655 20 0 GDADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000245939708 645092989 /nfs/dbraw/zinc/09/29/89/645092989.db2.gz UROHWKTXECZHBV-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000245939708 645092995 /nfs/dbraw/zinc/09/29/95/645092995.db2.gz UROHWKTXECZHBV-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP C[NH+](CCS(=O)(=O)CC[N@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245939708 645092999 /nfs/dbraw/zinc/09/29/99/645092999.db2.gz UROHWKTXECZHBV-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP C[NH+](CCS(=O)(=O)CC[N@@H+](C)C[C@@H]1CCCOC1)C[C@H]1CCCOC1 ZINC000245939708 645093002 /nfs/dbraw/zinc/09/30/02/645093002.db2.gz UROHWKTXECZHBV-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP O[C@@H](COc1cc(F)cc(Br)c1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000578140008 651776208 /nfs/dbraw/zinc/77/62/08/651776208.db2.gz VWIPUCRTVFVBCO-CQSZACIVSA-N 2 2 399.264 1.873 20 0 GDADLP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000580181530 651902217 /nfs/dbraw/zinc/90/22/17/651902217.db2.gz KXVNQKOWHIFXEC-HIFRSBDPSA-N 2 2 375.922 1.667 20 0 GDADLP COc1ccc(Br)c(CC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000617766006 652976336 /nfs/dbraw/zinc/97/63/36/652976336.db2.gz YZNVRGLJYVLJNP-UHFFFAOYSA-N 2 2 386.334 2.000 20 0 GDADLP COc1ccc(Br)c(CC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617766006 652976337 /nfs/dbraw/zinc/97/63/37/652976337.db2.gz YZNVRGLJYVLJNP-UHFFFAOYSA-N 2 2 386.334 2.000 20 0 GDADLP O=C1Nc2ccc(Br)cc2CC[C@@H]1[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000629531760 653169184 /nfs/dbraw/zinc/16/91/84/653169184.db2.gz XFIIJJIWBIRNTQ-WBVHZDCISA-N 2 2 393.329 1.682 20 0 GDADLP C[C@@H](CNC(=O)c1sc2c(c1Br)C[NH2+]C2)N1CC[NH+](C)CC1 ZINC000662464775 654294776 /nfs/dbraw/zinc/29/47/76/654294776.db2.gz QVMJVPXDWDLCTL-JTQLQIEISA-N 2 2 387.347 1.480 20 0 GDADLP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817958065 655362874 /nfs/dbraw/zinc/36/28/74/655362874.db2.gz GVYHOACEXVJBAG-WFASDCNBSA-N 2 2 377.532 1.046 20 0 GDADLP O[C@@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000819077864 655384718 /nfs/dbraw/zinc/38/47/18/655384718.db2.gz PMJNGOCRGGIVPX-QAPCUYQASA-N 2 2 398.345 1.479 20 0 GDADLP Cc1[nH+]ccn1CC[NH+]1CCC(n2nncc2I)CC1 ZINC000852533079 655617685 /nfs/dbraw/zinc/61/76/85/655617685.db2.gz SZLDTIKRDWMMGX-UHFFFAOYSA-N 2 2 386.241 1.725 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000863570768 655875999 /nfs/dbraw/zinc/87/59/99/655875999.db2.gz KFVJMXQSAPZMDB-GJZGRUSLSA-N 2 2 388.281 1.551 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000863570768 655876000 /nfs/dbraw/zinc/87/60/00/655876000.db2.gz KFVJMXQSAPZMDB-GJZGRUSLSA-N 2 2 388.281 1.551 20 0 GDADLP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866714078 655956317 /nfs/dbraw/zinc/95/63/17/655956317.db2.gz FTDOLJFSXNVIQY-AXFHLTTASA-N 2 2 376.404 1.837 20 0 GDADLP Cc1nc(C(F)(F)F)c(C[N@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000866714078 655956319 /nfs/dbraw/zinc/95/63/19/655956319.db2.gz FTDOLJFSXNVIQY-AXFHLTTASA-N 2 2 376.404 1.837 20 0 GDADLP CN([C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010198 655986854 /nfs/dbraw/zinc/98/68/54/655986854.db2.gz MKSGCZQHFVJHEK-HZPDHXFCSA-N 2 2 394.607 1.228 20 0 GDADLP CN([C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010198 655986856 /nfs/dbraw/zinc/98/68/56/655986856.db2.gz MKSGCZQHFVJHEK-HZPDHXFCSA-N 2 2 394.607 1.228 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000867964103 656135974 /nfs/dbraw/zinc/13/59/74/656135974.db2.gz ZUFVOYPNWUYXPS-HOTGVXAUSA-N 2 2 384.318 1.922 20 0 GDADLP CCn1ncc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874462189 656472225 /nfs/dbraw/zinc/47/22/25/656472225.db2.gz HAGJTHSDDOGBFG-GFCCVEGCSA-N 2 2 384.322 1.564 20 0 GDADLP CCn1ncc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874462189 656472230 /nfs/dbraw/zinc/47/22/30/656472230.db2.gz HAGJTHSDDOGBFG-GFCCVEGCSA-N 2 2 384.322 1.564 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000925080042 656693825 /nfs/dbraw/zinc/69/38/25/656693825.db2.gz KDGPZPJZKRAUNH-CABCVRRESA-N 2 2 383.334 1.901 20 0 GDADLP C[NH+](C)C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931079874 657069545 /nfs/dbraw/zinc/06/95/45/657069545.db2.gz DOOYLQAGNIYHRY-DOMZBBRYSA-N 2 2 387.311 1.533 20 0 GDADLP C[NH+](C)C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931079874 657069550 /nfs/dbraw/zinc/06/95/50/657069550.db2.gz DOOYLQAGNIYHRY-DOMZBBRYSA-N 2 2 387.311 1.533 20 0 GDADLP C[N@@H+]1C[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@]2(C)C1 ZINC000933738943 657312366 /nfs/dbraw/zinc/31/23/66/657312366.db2.gz PYCBCTMXKOIKNY-PXAZEXFGSA-N 2 2 377.286 1.841 20 0 GDADLP C[N@H+]1C[C@@H]2C[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@]2(C)C1 ZINC000933738943 657312374 /nfs/dbraw/zinc/31/23/74/657312374.db2.gz PYCBCTMXKOIKNY-PXAZEXFGSA-N 2 2 377.286 1.841 20 0 GDADLP C[NH+]1C[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@]2(C)C1 ZINC000933738943 657312379 /nfs/dbraw/zinc/31/23/79/657312379.db2.gz PYCBCTMXKOIKNY-PXAZEXFGSA-N 2 2 377.286 1.841 20 0 GDADLP C[NH+]1C[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C[C@]2(C)C1 ZINC000933738943 657312381 /nfs/dbraw/zinc/31/23/81/657312381.db2.gz PYCBCTMXKOIKNY-PXAZEXFGSA-N 2 2 377.286 1.841 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000884179613 657333008 /nfs/dbraw/zinc/33/30/08/657333008.db2.gz VLMJEAVLXIYTAG-CVEARBPZSA-N 2 2 382.302 1.772 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000884183622 657333806 /nfs/dbraw/zinc/33/38/06/657333806.db2.gz RXDMRPNDLMUJSR-JKSUJKDBSA-N 2 2 384.318 1.922 20 0 GDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235032 657339053 /nfs/dbraw/zinc/33/90/53/657339053.db2.gz LENROMHSOMMMDD-YOEHRIQHSA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235032 657339059 /nfs/dbraw/zinc/33/90/59/657339059.db2.gz LENROMHSOMMMDD-YOEHRIQHSA-N 2 2 397.361 1.839 20 0 GDADLP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH+](Cc3cccs3)CC1)C2 ZINC000892885712 658358042 /nfs/dbraw/zinc/35/80/42/658358042.db2.gz YYYGBQNNFRFAMH-UHFFFAOYSA-N 2 2 377.539 1.959 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cscc1Cl ZINC000898588988 658941430 /nfs/dbraw/zinc/94/14/30/658941430.db2.gz LQPPVLGJEOJSBF-UHFFFAOYSA-N 2 2 386.949 1.502 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C(=O)NCc1cscc1Cl ZINC000898588988 658941431 /nfs/dbraw/zinc/94/14/31/658941431.db2.gz LQPPVLGJEOJSBF-UHFFFAOYSA-N 2 2 386.949 1.502 20 0 GDADLP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000907637069 659798006 /nfs/dbraw/zinc/79/80/06/659798006.db2.gz WGDJTBHFKHXYEM-UHFFFAOYSA-N 2 2 383.334 1.943 20 0 GDADLP CN1CC[N@@H+](C)CC(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C1 ZINC000907637069 659798016 /nfs/dbraw/zinc/79/80/16/659798016.db2.gz WGDJTBHFKHXYEM-UHFFFAOYSA-N 2 2 383.334 1.943 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@H]4OCC[C@H]43)[nH+]2)CC1 ZINC001164679024 719541287 /nfs/dbraw/zinc/54/12/87/719541287.db2.gz QIKRKCKMSPDIEW-GUDVDZBRSA-N 2 2 399.539 1.440 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164852832 720874009 /nfs/dbraw/zinc/87/40/09/720874009.db2.gz AAXDYQRBJWYNNE-QZTJIDSGSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164852832 720874014 /nfs/dbraw/zinc/87/40/14/720874014.db2.gz AAXDYQRBJWYNNE-QZTJIDSGSA-N 2 2 375.517 1.640 20 0 GDADLP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164910311 721543141 /nfs/dbraw/zinc/54/31/41/721543141.db2.gz UCRNAZRLQSHNGY-PKOBYXMFSA-N 2 2 399.470 1.794 20 0 GDADLP Fc1cccc(O[C@@H]2C[C@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164910311 721543146 /nfs/dbraw/zinc/54/31/46/721543146.db2.gz UCRNAZRLQSHNGY-PKOBYXMFSA-N 2 2 399.470 1.794 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821189383 945649524 /nfs/dbraw/zinc/64/95/24/945649524.db2.gz LDJQVYQSXONMGW-ZDUSSCGKSA-N 2 2 393.517 1.299 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC(=O)Nc2sccc2-c2nn[nH]n2)C1 ZINC000821189383 945649529 /nfs/dbraw/zinc/64/95/29/945649529.db2.gz LDJQVYQSXONMGW-ZDUSSCGKSA-N 2 2 393.517 1.299 20 0 GDADLP CC(C)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824158379 946602670 /nfs/dbraw/zinc/60/26/70/946602670.db2.gz VCNUHKSBHNIXOK-UHFFFAOYSA-N 2 2 399.543 1.532 20 0 GDADLP CC[C@@H](C)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825068435 947064473 /nfs/dbraw/zinc/06/44/73/947064473.db2.gz RQERORZNXUUAMW-OAHLLOKOSA-N 2 2 385.516 1.726 20 0 GDADLP Cn1cc(CCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826360258 948117162 /nfs/dbraw/zinc/11/71/62/948117162.db2.gz CZWKDQATFMAWCX-UHFFFAOYSA-N 2 2 380.500 1.787 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264361 949424945 /nfs/dbraw/zinc/42/49/45/949424945.db2.gz NVYRJWKQPAFHIA-DOMZBBRYSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264361 949424957 /nfs/dbraw/zinc/42/49/57/949424957.db2.gz NVYRJWKQPAFHIA-DOMZBBRYSA-N 2 2 389.529 1.349 20 0 GDADLP CC(C)C[C@@H](C(=O)NC[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574124430 949571029 /nfs/dbraw/zinc/57/10/29/949571029.db2.gz HTLFYIMGYMSVKH-CJNGLKHVSA-N 2 2 383.460 1.084 20 0 GDADLP CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574153258 950135300 /nfs/dbraw/zinc/13/53/00/950135300.db2.gz QMVQKUGODWQKRG-KRWDZBQOSA-N 2 2 382.472 1.384 20 0 GDADLP CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574153309 950140841 /nfs/dbraw/zinc/14/08/41/950140841.db2.gz RGJPUROOTWBVNZ-MRXNPFEDSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196906 950370953 /nfs/dbraw/zinc/37/09/53/950370953.db2.gz ITBBLPJCIIBITJ-GJZGRUSLSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196906 950370961 /nfs/dbraw/zinc/37/09/61/950370961.db2.gz ITBBLPJCIIBITJ-GJZGRUSLSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574504050 950422607 /nfs/dbraw/zinc/42/26/07/950422607.db2.gz ZSAFFVNDLQFNSY-ZIAGYGMSSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205004 950487688 /nfs/dbraw/zinc/48/76/88/950487688.db2.gz FOCASKUGNJYUIJ-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205004 950487709 /nfs/dbraw/zinc/48/77/09/950487709.db2.gz FOCASKUGNJYUIJ-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205004 950487728 /nfs/dbraw/zinc/48/77/28/950487728.db2.gz FOCASKUGNJYUIJ-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001576205004 950487742 /nfs/dbraw/zinc/48/77/42/950487742.db2.gz FOCASKUGNJYUIJ-ZFWWWQNUSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574509806 950532574 /nfs/dbraw/zinc/53/25/74/950532574.db2.gz YANNCWFINLDVML-STQMWFEESA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574524481 950862287 /nfs/dbraw/zinc/86/22/87/950862287.db2.gz XABQLUAZMCQNRQ-KGLIPLIRSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cc1c[nH+]cn1C ZINC001574524499 950863289 /nfs/dbraw/zinc/86/32/89/950863289.db2.gz XKGJURKMUSVXKU-VXGBXAGGSA-N 2 2 388.501 1.277 20 0 GDADLP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)Nc1cc[nH+]cc1-c1nn[nH]n1 ZINC001575068845 951638752 /nfs/dbraw/zinc/63/87/52/951638752.db2.gz CZTZDODZBXFUDS-NSHDSACASA-N 2 2 386.485 1.037 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001575088693 951741178 /nfs/dbraw/zinc/74/11/78/951741178.db2.gz AVEPEDMNDAHDRR-CYBMUJFWSA-N 2 2 386.435 1.135 20 0 GDADLP C[C@H](CNC(=O)[C@@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090120 951757189 /nfs/dbraw/zinc/75/71/89/951757189.db2.gz JKIQCCXHEWPZBA-KBPBESRZSA-N 2 2 382.472 1.311 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001575098164 951820746 /nfs/dbraw/zinc/82/07/46/951820746.db2.gz BSFHSKRNFFBLRD-CHWSQXEVSA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C[C@H](C)n1cc[nH+]c1 ZINC001575109754 951933229 /nfs/dbraw/zinc/93/32/29/951933229.db2.gz UWEHQLZXSDEFCJ-LSDHHAIUSA-N 2 2 382.472 1.651 20 0 GDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571120433 952503609 /nfs/dbraw/zinc/50/36/09/952503609.db2.gz LKEKPVJNXWDQDC-OBJOEFQTSA-N 2 2 375.502 1.054 20 0 GDADLP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)s1)[NH+](C)C ZINC001571120433 952503613 /nfs/dbraw/zinc/50/36/13/952503613.db2.gz LKEKPVJNXWDQDC-OBJOEFQTSA-N 2 2 375.502 1.054 20 0 GDADLP C[C@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167073 952769181 /nfs/dbraw/zinc/76/91/81/952769181.db2.gz UYOJEZLSXRZGGC-YOEHRIQHSA-N 2 2 380.456 1.090 20 0 GDADLP O=C(NC1C[NH+](Cc2ccccc2-c2nn[nH]n2)C1)C12CCC[NH+](CCC1)C2 ZINC001571191682 952946556 /nfs/dbraw/zinc/94/65/56/952946556.db2.gz QOGOYNJHPDOCCX-UHFFFAOYSA-N 2 2 381.484 1.043 20 0 GDADLP C[N@@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C[NH3+])C1 ZINC000162300670 530567418 /nfs/dbraw/zinc/56/74/18/530567418.db2.gz HMOWANZZJPRXSH-HNNXBMFYSA-N 2 2 378.274 1.350 20 0 GDADLP C[N@H+]1CCN(C(=O)c2ccc(-n3cc(Br)cn3)cc2)[C@@H](C[NH3+])C1 ZINC000162300670 530567419 /nfs/dbraw/zinc/56/74/19/530567419.db2.gz HMOWANZZJPRXSH-HNNXBMFYSA-N 2 2 378.274 1.350 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167068855 530583548 /nfs/dbraw/zinc/58/35/48/530583548.db2.gz BDEQFEIQOZYTPA-MSOLQXFVSA-N 2 2 375.579 1.622 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167068855 530583552 /nfs/dbraw/zinc/58/35/52/530583552.db2.gz BDEQFEIQOZYTPA-MSOLQXFVSA-N 2 2 375.579 1.622 20 0 GDADLP CC[N@H+](CCO)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188762825 530900775 /nfs/dbraw/zinc/90/07/75/530900775.db2.gz YRSJPPXNQSIDGP-UHFFFAOYSA-N 2 2 386.334 1.690 20 0 GDADLP CC[N@@H+](CCO)CC[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188762825 530900777 /nfs/dbraw/zinc/90/07/77/530900777.db2.gz YRSJPPXNQSIDGP-UHFFFAOYSA-N 2 2 386.334 1.690 20 0 GDADLP O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)N[C@H]1CC[NH2+]C1 ZINC000126338073 531017891 /nfs/dbraw/zinc/01/78/91/531017891.db2.gz OWZQDSDAOCPBCS-HNNXBMFYSA-N 2 2 399.308 1.184 20 0 GDADLP Cc1nn(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1Br ZINC000261791575 531099300 /nfs/dbraw/zinc/09/93/00/531099300.db2.gz YYXCZGTXFZYCSY-UONOGXRCSA-N 2 2 398.349 1.571 20 0 GDADLP Cc1nn(C)c(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1Br ZINC000261791575 531099303 /nfs/dbraw/zinc/09/93/03/531099303.db2.gz YYXCZGTXFZYCSY-UONOGXRCSA-N 2 2 398.349 1.571 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000436061592 531274753 /nfs/dbraw/zinc/27/47/53/531274753.db2.gz UILNTJLBVUQBIE-OAHLLOKOSA-N 2 2 397.317 1.707 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cc1 ZINC000436061592 531274757 /nfs/dbraw/zinc/27/47/57/531274757.db2.gz UILNTJLBVUQBIE-OAHLLOKOSA-N 2 2 397.317 1.707 20 0 GDADLP O=C(C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000486454365 531452385 /nfs/dbraw/zinc/45/23/85/531452385.db2.gz IOSBDJPNEGJXLU-CYBMUJFWSA-N 2 2 385.295 1.828 20 0 GDADLP O=C(C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1)Nc1ccc(Cl)c(Cl)c1 ZINC000486454365 531452387 /nfs/dbraw/zinc/45/23/87/531452387.db2.gz IOSBDJPNEGJXLU-CYBMUJFWSA-N 2 2 385.295 1.828 20 0 GDADLP Cc1cc(Br)ccc1C(=O)N1CCC([NH2+]C[C@@H]2C[NH2+]CCO2)CC1 ZINC000415092929 531465348 /nfs/dbraw/zinc/46/53/48/531465348.db2.gz HEBXOQZSRUEBCZ-INIZCTEOSA-N 2 2 396.329 1.940 20 0 GDADLP COc1cc(C[NH2+]C[C@H]2C[NH2+]CCO2)cc(I)c1OC ZINC000415098079 531465371 /nfs/dbraw/zinc/46/53/71/531465371.db2.gz UVHSQAYXNDINJL-LLVKDONJSA-N 2 2 392.237 1.386 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2ccc(F)cc2I)CC1 ZINC000591355608 531720336 /nfs/dbraw/zinc/72/03/36/531720336.db2.gz LJCKTDSLVDNWSN-UHFFFAOYSA-N 2 2 391.228 1.294 20 0 GDADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000562311615 531745585 /nfs/dbraw/zinc/74/55/85/531745585.db2.gz UODSGPUGZICOLR-HIFRSBDPSA-N 2 2 397.317 1.428 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[NH2+][C@@H](C)C3)[nH+]c12 ZINC000417995476 531796157 /nfs/dbraw/zinc/79/61/57/531796157.db2.gz AZRFWEOOZPFNPH-LBPRGKRZSA-N 2 2 380.290 1.951 20 0 GDADLP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC(=O)N1CC[NH+](C)CC1 ZINC000675781960 531911963 /nfs/dbraw/zinc/91/19/63/531911963.db2.gz IRRUPGMPRVITCG-CYBMUJFWSA-N 2 2 397.317 1.530 20 0 GDADLP C[C@H](C[NH2+]C[C@H](O)COc1ccc(Br)cc1)C[NH+]1CCOCC1 ZINC000567605778 531900165 /nfs/dbraw/zinc/90/01/65/531900165.db2.gz DWMYEDYNBHBXBS-ZBFHGGJFSA-N 2 2 387.318 1.747 20 0 GDADLP CC(C)[N@H+](C)CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456604116 531924951 /nfs/dbraw/zinc/92/49/51/531924951.db2.gz ZINIBSBPNIGGLQ-UHFFFAOYSA-N 2 2 384.322 1.875 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000456604116 531924957 /nfs/dbraw/zinc/92/49/57/531924957.db2.gz ZINIBSBPNIGGLQ-UHFFFAOYSA-N 2 2 384.322 1.875 20 0 GDADLP COc1ccc(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1Cl ZINC000657071759 531997157 /nfs/dbraw/zinc/99/71/57/531997157.db2.gz ULVMVTXJWBEEOI-ZDUSSCGKSA-N 2 2 377.938 1.899 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631064448 531997184 /nfs/dbraw/zinc/99/71/84/531997184.db2.gz SCBKZMNTYMXBPJ-UHFFFAOYSA-N 2 2 375.698 1.751 20 0 GDADLP COc1ccc(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1Cl ZINC000657071759 531997163 /nfs/dbraw/zinc/99/71/63/531997163.db2.gz ULVMVTXJWBEEOI-ZDUSSCGKSA-N 2 2 377.938 1.899 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000430618201 532253161 /nfs/dbraw/zinc/25/31/61/532253161.db2.gz RTBHQMJEHOJRSZ-UHFFFAOYSA-N 2 2 388.921 1.214 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC[NH2+]CC2)c1 ZINC000430618201 532253165 /nfs/dbraw/zinc/25/31/65/532253165.db2.gz RTBHQMJEHOJRSZ-UHFFFAOYSA-N 2 2 388.921 1.214 20 0 GDADLP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736759195 598899051 /nfs/dbraw/zinc/89/90/51/598899051.db2.gz PNQFOJLRLYXBCW-GFCCVEGCSA-N 2 2 389.529 1.629 20 0 GDADLP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736759195 598899053 /nfs/dbraw/zinc/89/90/53/598899053.db2.gz PNQFOJLRLYXBCW-GFCCVEGCSA-N 2 2 389.529 1.629 20 0 GDADLP CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851189 599010076 /nfs/dbraw/zinc/01/00/76/599010076.db2.gz GSAGHUASDUAFCL-QGZVFWFLSA-N 2 2 384.488 1.499 20 0 GDADLP CN(C(=O)Nc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851189 599010078 /nfs/dbraw/zinc/01/00/78/599010078.db2.gz GSAGHUASDUAFCL-QGZVFWFLSA-N 2 2 384.488 1.499 20 0 GDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438113 599072805 /nfs/dbraw/zinc/07/28/05/599072805.db2.gz YQAGUOMYEJKMBU-KBXCAEBGSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438113 599072809 /nfs/dbraw/zinc/07/28/09/599072809.db2.gz YQAGUOMYEJKMBU-KBXCAEBGSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438120 599073179 /nfs/dbraw/zinc/07/31/79/599073179.db2.gz YQAGUOMYEJKMBU-RDTXWAMCSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438120 599073180 /nfs/dbraw/zinc/07/31/80/599073180.db2.gz YQAGUOMYEJKMBU-RDTXWAMCSA-N 2 2 392.467 1.531 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705134 599074903 /nfs/dbraw/zinc/07/49/03/599074903.db2.gz FRKLUNDPXAEREO-RDJZCZTQSA-N 2 2 380.456 1.489 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705134 599074905 /nfs/dbraw/zinc/07/49/05/599074905.db2.gz FRKLUNDPXAEREO-RDJZCZTQSA-N 2 2 380.456 1.489 20 0 GDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568321 598813976 /nfs/dbraw/zinc/81/39/76/598813976.db2.gz AIOLEAFQSDTQPI-GOSISDBHSA-N 2 2 383.500 1.385 20 0 GDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568321 598813977 /nfs/dbraw/zinc/81/39/77/598813977.db2.gz AIOLEAFQSDTQPI-GOSISDBHSA-N 2 2 383.500 1.385 20 0 GDADLP Cn1cc(C[N@@H+]2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cn1 ZINC000822680345 599538280 /nfs/dbraw/zinc/53/82/80/599538280.db2.gz MBWWDJQHSPNBJT-UHFFFAOYSA-N 2 2 389.467 1.861 20 0 GDADLP Cn1cc(C[N@H+]2CCCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)cn1 ZINC000822680345 599538283 /nfs/dbraw/zinc/53/82/83/599538283.db2.gz MBWWDJQHSPNBJT-UHFFFAOYSA-N 2 2 389.467 1.861 20 0 GDADLP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821628240 607476812 /nfs/dbraw/zinc/47/68/12/607476812.db2.gz CZKICQCLJKTLBT-UHFFFAOYSA-N 2 2 382.447 1.442 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330959 607639062 /nfs/dbraw/zinc/63/90/62/607639062.db2.gz OLOFCTFFJJNUEX-GUYCJALGSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330959 607639064 /nfs/dbraw/zinc/63/90/64/607639064.db2.gz OLOFCTFFJJNUEX-GUYCJALGSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478493 606617547 /nfs/dbraw/zinc/61/75/47/606617547.db2.gz SMEMJYYJCAJMEJ-HIFRSBDPSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478493 606617549 /nfs/dbraw/zinc/61/75/49/606617549.db2.gz SMEMJYYJCAJMEJ-HIFRSBDPSA-N 2 2 380.456 1.863 20 0 GDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000530240208 649968122 /nfs/dbraw/zinc/96/81/22/649968122.db2.gz BFLHMNTUQHZCEG-GFCCVEGCSA-N 2 2 378.261 1.425 20 0 GDADLP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194099 608171077 /nfs/dbraw/zinc/17/10/77/608171077.db2.gz AKRICSRMJVINHV-YJBOKZPZSA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1-c1nn[nH]n1 ZINC000826194099 608171079 /nfs/dbraw/zinc/17/10/79/608171079.db2.gz AKRICSRMJVINHV-YJBOKZPZSA-N 2 2 385.516 1.333 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423095184 646112303 /nfs/dbraw/zinc/11/23/03/646112303.db2.gz DNHLCBLMVPLRSH-WCQYABFASA-N 2 2 379.885 1.114 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c[nH+]c12 ZINC000573816563 651496777 /nfs/dbraw/zinc/49/67/77/651496777.db2.gz HCEOVWQXNXJFFR-OCCSQVGLSA-N 2 2 378.274 1.149 20 0 GDADLP O=C([C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)N1CC[NH2+]CC1 ZINC000580773885 651938359 /nfs/dbraw/zinc/93/83/59/651938359.db2.gz LXHUVHJOBGSLPA-CQSZACIVSA-N 2 2 382.302 1.799 20 0 GDADLP O=C([C@@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1)N1CC[NH2+]CC1 ZINC000580773885 651938360 /nfs/dbraw/zinc/93/83/60/651938360.db2.gz LXHUVHJOBGSLPA-CQSZACIVSA-N 2 2 382.302 1.799 20 0 GDADLP Brc1cnc2c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cnn2c1 ZINC000639326749 653550100 /nfs/dbraw/zinc/55/01/00/653550100.db2.gz FETBFSGOFVDBQX-OAHLLOKOSA-N 2 2 380.290 1.835 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000801088094 654908220 /nfs/dbraw/zinc/90/82/20/654908220.db2.gz DQSVGFGWSJIZGW-UHFFFAOYSA-N 2 2 386.338 1.589 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000801088094 654908223 /nfs/dbraw/zinc/90/82/23/654908223.db2.gz DQSVGFGWSJIZGW-UHFFFAOYSA-N 2 2 386.338 1.589 20 0 GDADLP COC[C@]1(C)CC[N@H+](CCS(=O)(=O)CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000830530098 654948383 /nfs/dbraw/zinc/94/83/83/654948383.db2.gz VROPUUWHHRHPTN-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@]1(C)CC[N@@H+](CCS(=O)(=O)CC[NH+]2CC[C@](C)(COC)C2)C1 ZINC000830530098 654948385 /nfs/dbraw/zinc/94/83/85/654948385.db2.gz VROPUUWHHRHPTN-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@]1(C)CC[NH+](CCS(=O)(=O)CC[N@@H+]2CC[C@](C)(COC)C2)C1 ZINC000830530098 654948388 /nfs/dbraw/zinc/94/83/88/654948388.db2.gz VROPUUWHHRHPTN-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@]1(C)CC[NH+](CCS(=O)(=O)CC[N@H+]2CC[C@](C)(COC)C2)C1 ZINC000830530098 654948390 /nfs/dbraw/zinc/94/83/90/654948390.db2.gz VROPUUWHHRHPTN-HDICACEKSA-N 2 2 376.563 1.118 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)C2)CC1 ZINC000762589435 655171012 /nfs/dbraw/zinc/17/10/12/655171012.db2.gz SSYLLHFRBLEBAV-PQEBFOHHSA-N 2 2 384.615 1.834 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@H]34)C2)CC1 ZINC000762589435 655171014 /nfs/dbraw/zinc/17/10/14/655171014.db2.gz SSYLLHFRBLEBAV-PQEBFOHHSA-N 2 2 384.615 1.834 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)C2)CC1 ZINC000762589442 655171020 /nfs/dbraw/zinc/17/10/20/655171020.db2.gz SSYLLHFRBLEBAV-RKTXRCNFSA-N 2 2 384.615 1.834 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H]4SCCS[C@H]34)C2)CC1 ZINC000762589442 655171022 /nfs/dbraw/zinc/17/10/22/655171022.db2.gz SSYLLHFRBLEBAV-RKTXRCNFSA-N 2 2 384.615 1.834 20 0 GDADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786852 655176902 /nfs/dbraw/zinc/17/69/02/655176902.db2.gz LHPSIVIMOKCZKJ-BDJLRTHQSA-N 2 2 378.441 1.409 20 0 GDADLP COc1cc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786852 655176903 /nfs/dbraw/zinc/17/69/03/655176903.db2.gz LHPSIVIMOKCZKJ-BDJLRTHQSA-N 2 2 378.441 1.409 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1Cl ZINC000840898996 655302889 /nfs/dbraw/zinc/30/28/89/655302889.db2.gz MBKMTEUTYOTZLR-HNNXBMFYSA-N 2 2 387.933 1.720 20 0 GDADLP COc1cc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)ccc1S(=O)(=O)C(F)F ZINC000817979859 655363217 /nfs/dbraw/zinc/36/32/17/655363217.db2.gz FKXBPVYVMBCSDQ-DGCLKSJQSA-N 2 2 378.441 1.721 20 0 GDADLP C[NH+]1CCC(CNC(=S)NCc2cc[nH+]c(N3CCSCC3)c2)CC1 ZINC000865254696 655915517 /nfs/dbraw/zinc/91/55/17/655915517.db2.gz DEQKEHFVIVKCKG-UHFFFAOYSA-N 2 2 379.599 1.941 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000867964105 656136018 /nfs/dbraw/zinc/13/60/18/656136018.db2.gz ZUFVOYPNWUYXPS-JKSUJKDBSA-N 2 2 384.318 1.922 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872026983 656318158 /nfs/dbraw/zinc/31/81/58/656318158.db2.gz AGIMWEXKZLKELU-CRAIPNDOSA-N 2 2 396.329 1.890 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CC[N@H+]3C)[nH+]c12 ZINC000921939875 656430097 /nfs/dbraw/zinc/43/00/97/656430097.db2.gz YEIHTCGIJLHMBJ-AWEZNQCLSA-N 2 2 380.290 1.951 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CC[N@@H+]3C)[nH+]c12 ZINC000921939875 656430101 /nfs/dbraw/zinc/43/01/01/656430101.db2.gz YEIHTCGIJLHMBJ-AWEZNQCLSA-N 2 2 380.290 1.951 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(N)nc(Br)c3)C2)CC1 ZINC000874462740 656472288 /nfs/dbraw/zinc/47/22/88/656472288.db2.gz YPDLVWZDSRFMOS-LBPRGKRZSA-N 2 2 382.306 1.325 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(N)nc(Br)c3)C2)CC1 ZINC000874462740 656472291 /nfs/dbraw/zinc/47/22/91/656472291.db2.gz YPDLVWZDSRFMOS-LBPRGKRZSA-N 2 2 382.306 1.325 20 0 GDADLP C[N@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1(C[NH3+])CCCCC1 ZINC000923423028 656551725 /nfs/dbraw/zinc/55/17/25/656551725.db2.gz PNHQRBKBXNENPD-OAHLLOKOSA-N 2 2 375.579 1.581 20 0 GDADLP C[N@@H+](C[C@@H](O)C1(S(=O)(=O)NC(C)(C)C)CCC1)C1(C[NH3+])CCCCC1 ZINC000923423028 656551728 /nfs/dbraw/zinc/55/17/28/656551728.db2.gz PNHQRBKBXNENPD-OAHLLOKOSA-N 2 2 375.579 1.581 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1CN(C[C@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000923420658 656551812 /nfs/dbraw/zinc/55/18/12/656551812.db2.gz PDDRRDSPYAWNMY-GZBFAFLISA-N 2 2 385.295 1.893 20 0 GDADLP C[NH+](C)C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931080018 657069475 /nfs/dbraw/zinc/06/94/75/657069475.db2.gz DOOYLQAGNIYHRY-IUODEOHRSA-N 2 2 387.311 1.533 20 0 GDADLP C[NH+](C)C[C@@H](NC(=O)C(=O)NC[C@H]1CC[N@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931080018 657069482 /nfs/dbraw/zinc/06/94/82/657069482.db2.gz DOOYLQAGNIYHRY-IUODEOHRSA-N 2 2 387.311 1.533 20 0 GDADLP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000897976942 658906788 /nfs/dbraw/zinc/90/67/88/658906788.db2.gz AYTDDYOPILSHNS-AWEZNQCLSA-N 2 2 397.317 1.532 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000903493226 659318069 /nfs/dbraw/zinc/31/80/69/659318069.db2.gz PSGJIQCFWHDLOU-SYEQVDHESA-N 2 2 396.285 1.188 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000903493226 659318073 /nfs/dbraw/zinc/31/80/73/659318073.db2.gz PSGJIQCFWHDLOU-SYEQVDHESA-N 2 2 396.285 1.188 20 0 GDADLP c1ccc(C[N@@H+]2CCc3ncnc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c3C2)cc1 ZINC001164404845 718861852 /nfs/dbraw/zinc/86/18/52/718861852.db2.gz QOZLUPATUJQYHQ-GHTZIAJQSA-N 2 2 379.508 1.850 20 0 GDADLP c1ccc(C[N@H+]2CCc3ncnc(N4CCO[C@@H]5C[NH2+]CC[C@H]5C4)c3C2)cc1 ZINC001164404845 718861853 /nfs/dbraw/zinc/86/18/53/718861853.db2.gz QOZLUPATUJQYHQ-GHTZIAJQSA-N 2 2 379.508 1.850 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](N4CCCC4=O)[C@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164655203 719304288 /nfs/dbraw/zinc/30/42/88/719304288.db2.gz SIYPXIPBTRNSBS-SVMVAKDDSA-N 2 2 399.539 1.440 20 0 GDADLP C[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@@H]21 ZINC001164668549 719465647 /nfs/dbraw/zinc/46/56/47/719465647.db2.gz QNYOTXDQFRDYKR-RBUKOAKNSA-N 2 2 380.496 1.322 20 0 GDADLP C[N@H+]1CCO[C@@H]2CN(c3cc(N4CCN(c5ccccc5)CC4)[nH+]cn3)C[C@@H]21 ZINC001164668549 719465659 /nfs/dbraw/zinc/46/56/59/719465659.db2.gz QNYOTXDQFRDYKR-RBUKOAKNSA-N 2 2 380.496 1.322 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3cc4cc(OC)ccc4c[nH+]3)C2)C1 ZINC001164724227 720269798 /nfs/dbraw/zinc/26/97/98/720269798.db2.gz ZVFHUTOVEHOMRT-QFIPXVFZSA-N 2 2 398.507 1.908 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3cc4cc(OC)ccc4c[nH+]3)C2)C1 ZINC001164724227 720269808 /nfs/dbraw/zinc/26/98/08/720269808.db2.gz ZVFHUTOVEHOMRT-QFIPXVFZSA-N 2 2 398.507 1.908 20 0 GDADLP Cc1c[nH+]c(N2Cc3ncn(C)c3[C@@H](COCC[NH+]3CCOCC3)C2)cc1C ZINC001164831159 720474892 /nfs/dbraw/zinc/47/48/92/720474892.db2.gz NALMJBLJSDDKCM-GOSISDBHSA-N 2 2 385.512 1.885 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)[nH+]1 ZINC001164746357 720601419 /nfs/dbraw/zinc/60/14/19/720601419.db2.gz XYQRWPUFCPTNIM-SJORKVTESA-N 2 2 381.484 1.517 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@@H]3C2)[nH+]1 ZINC001164746357 720601431 /nfs/dbraw/zinc/60/14/31/720601431.db2.gz XYQRWPUFCPTNIM-SJORKVTESA-N 2 2 381.484 1.517 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2C1 ZINC001164854096 720864198 /nfs/dbraw/zinc/86/41/98/720864198.db2.gz JDDWOHVFCZUMNK-RBUKOAKNSA-N 3 2 389.544 1.007 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)CC[C@H]2C1 ZINC001164854096 720864199 /nfs/dbraw/zinc/86/41/99/720864199.db2.gz JDDWOHVFCZUMNK-RBUKOAKNSA-N 3 2 389.544 1.007 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164857368 720864246 /nfs/dbraw/zinc/86/42/46/720864246.db2.gz QOAUYTJOWJTXIY-QZTJIDSGSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCCC4)cc[nH+]3)CC[C@@H]2C1 ZINC001164857368 720864248 /nfs/dbraw/zinc/86/42/48/720864248.db2.gz QOAUYTJOWJTXIY-QZTJIDSGSA-N 2 2 375.517 1.640 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164768472 721224678 /nfs/dbraw/zinc/22/46/78/721224678.db2.gz LDTOBYJAUMVOBO-ROUUACIJSA-N 2 2 399.568 1.722 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCSCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164768472 721224683 /nfs/dbraw/zinc/22/46/83/721224683.db2.gz LDTOBYJAUMVOBO-ROUUACIJSA-N 2 2 399.568 1.722 20 0 GDADLP C[N@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821595470 945733915 /nfs/dbraw/zinc/73/39/15/945733915.db2.gz YCRRPUHTHQZBJB-IBGZPJMESA-N 2 2 396.499 1.193 20 0 GDADLP C[N@@H+](C[C@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821595470 945733921 /nfs/dbraw/zinc/73/39/21/945733921.db2.gz YCRRPUHTHQZBJB-IBGZPJMESA-N 2 2 396.499 1.193 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000822505589 946107558 /nfs/dbraw/zinc/10/75/58/946107558.db2.gz NVGQYRIFYVNNJX-UHFFFAOYSA-N 2 2 378.444 1.610 20 0 GDADLP Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)n1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000822505589 946107571 /nfs/dbraw/zinc/10/75/71/946107571.db2.gz NVGQYRIFYVNNJX-UHFFFAOYSA-N 2 2 378.444 1.610 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571316418 946576709 /nfs/dbraw/zinc/57/67/09/946576709.db2.gz CEBRHRHXLQEVDX-SJORKVTESA-N 2 2 392.467 1.113 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1C[C@@H]2C[N@H+](Cc3cccc(-c4nn[nH]n4)c3)CC[C@@H]2C1 ZINC001571316418 946576715 /nfs/dbraw/zinc/57/67/15/946576715.db2.gz CEBRHRHXLQEVDX-SJORKVTESA-N 2 2 392.467 1.113 20 0 GDADLP NC(=O)c1ccc(C[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826393445 948200014 /nfs/dbraw/zinc/20/00/14/948200014.db2.gz SFLDDWMEGLFZHG-UHFFFAOYSA-N 2 2 392.467 1.115 20 0 GDADLP c1[nH]nc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)C2 ZINC000826513450 948437638 /nfs/dbraw/zinc/43/76/38/948437638.db2.gz LVPGBEJDCXBCAA-SFHVURJKSA-N 2 2 378.484 1.701 20 0 GDADLP c1cnc(NCC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cn1 ZINC000826525737 948464796 /nfs/dbraw/zinc/46/47/96/948464796.db2.gz XDPPLFPMOMVGOX-UHFFFAOYSA-N 2 2 379.472 1.323 20 0 GDADLP C[C@H](CN(C)C(=O)[C@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698072 949174022 /nfs/dbraw/zinc/17/40/22/949174022.db2.gz FSOJDYALAHYXDE-ZIAGYGMSSA-N 2 2 382.472 1.405 20 0 GDADLP C[C@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574718178 949767331 /nfs/dbraw/zinc/76/73/31/949767331.db2.gz ZCXYVYZFNDHDSE-CABCVRRESA-N 2 2 382.472 1.651 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491180 950022014 /nfs/dbraw/zinc/02/20/14/950022014.db2.gz ANRPWNIVJLLMFF-ZBFHGGJFSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491180 950022037 /nfs/dbraw/zinc/02/20/37/950022037.db2.gz ANRPWNIVJLLMFF-ZBFHGGJFSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492068 950061908 /nfs/dbraw/zinc/06/19/08/950061908.db2.gz ITUNPAGCOUJUCF-QWHCGFSZSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492068 950061927 /nfs/dbraw/zinc/06/19/27/950061927.db2.gz ITUNPAGCOUJUCF-QWHCGFSZSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575905731 950299636 /nfs/dbraw/zinc/29/96/36/950299636.db2.gz DTQRRNYXLYQTNM-MEDUHNTESA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196905 950372255 /nfs/dbraw/zinc/37/22/55/950372255.db2.gz ITBBLPJCIIBITJ-CABCVRRESA-N 2 2 384.488 1.031 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196905 950372276 /nfs/dbraw/zinc/37/22/76/950372276.db2.gz ITBBLPJCIIBITJ-CABCVRRESA-N 2 2 384.488 1.031 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575910578 950422105 /nfs/dbraw/zinc/42/21/05/950422105.db2.gz LWMQJDWYGUNNCJ-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574522811 950796541 /nfs/dbraw/zinc/79/65/41/950796541.db2.gz LCXYSUIBANLAMK-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001575090998 951766011 /nfs/dbraw/zinc/76/60/11/951766011.db2.gz MQWREYHQOVTLAH-LJQANCHMSA-N 2 2 380.456 1.207 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202268 952511295 /nfs/dbraw/zinc/51/12/95/952511295.db2.gz UZXQCGVENKTPCB-WQVCFCJDSA-N 2 2 380.456 1.205 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170509 952787431 /nfs/dbraw/zinc/78/74/31/952787431.db2.gz VQIAFHSWHJQBAC-OAHLLOKOSA-N 2 2 380.456 1.222 20 0 GDADLP O=C(Cc1c[nH]c[nH+]1)N[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171772 952797068 /nfs/dbraw/zinc/79/70/68/952797068.db2.gz GHBYWRLPSCWMAG-RDJZCZTQSA-N 2 2 380.456 1.207 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001571172218 952803893 /nfs/dbraw/zinc/80/38/93/952803893.db2.gz PMOXKXLTFJACJD-WKILWMFISA-N 2 2 380.456 1.350 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235170 953209458 /nfs/dbraw/zinc/20/94/58/953209458.db2.gz VVTMBTDGUQQJBY-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235170 953209461 /nfs/dbraw/zinc/20/94/61/953209461.db2.gz VVTMBTDGUQQJBY-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235170 953209464 /nfs/dbraw/zinc/20/94/64/953209464.db2.gz VVTMBTDGUQQJBY-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001571235170 953209467 /nfs/dbraw/zinc/20/94/67/953209467.db2.gz VVTMBTDGUQQJBY-ROUUACIJSA-N 2 2 383.500 1.432 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001571252616 953331189 /nfs/dbraw/zinc/33/11/89/953331189.db2.gz RMVHSPPDHFZMRR-KRWDZBQOSA-N 2 2 384.488 1.173 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001571252616 953331191 /nfs/dbraw/zinc/33/11/91/953331191.db2.gz RMVHSPPDHFZMRR-KRWDZBQOSA-N 2 2 384.488 1.173 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]C(C)(C)COc2ncccc2Br)CC1 ZINC000181514929 530784869 /nfs/dbraw/zinc/78/48/69/530784869.db2.gz KWKJKICEXJBSHQ-UHFFFAOYSA-N 2 2 385.306 1.365 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000245458784 531057234 /nfs/dbraw/zinc/05/72/34/531057234.db2.gz DBYXFPPONBALPF-ROUUACIJSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000245458784 531057237 /nfs/dbraw/zinc/05/72/37/531057237.db2.gz DBYXFPPONBALPF-ROUUACIJSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000245458784 531057239 /nfs/dbraw/zinc/05/72/39/531057239.db2.gz DBYXFPPONBALPF-ROUUACIJSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000245458784 531057241 /nfs/dbraw/zinc/05/72/41/531057241.db2.gz DBYXFPPONBALPF-ROUUACIJSA-N 2 2 375.579 1.529 20 0 GDADLP Brc1cc2c(cc1C[NH+]1CCN([C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000261978344 531104453 /nfs/dbraw/zinc/10/44/53/531104453.db2.gz ZWGYBXXGBGSYCZ-AWEZNQCLSA-N 2 2 382.302 1.700 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000261856982 531100539 /nfs/dbraw/zinc/10/05/39/531100539.db2.gz WLDHDVQTDPZCOR-FDQGKXFDSA-N 2 2 398.345 1.927 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[N@H+]1C[C@H](C)O ZINC000261856982 531100541 /nfs/dbraw/zinc/10/05/41/531100541.db2.gz WLDHDVQTDPZCOR-FDQGKXFDSA-N 2 2 398.345 1.927 20 0 GDADLP CC[NH+](CCCCC[N@@H+](CC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246840804 531070646 /nfs/dbraw/zinc/07/06/46/531070646.db2.gz CMANGEFWLLFSDW-IRXDYDNUSA-N 2 2 394.603 1.175 20 0 GDADLP CC[NH+](CCCCC[N@H+](CC)[C@H]1CCS(=O)(=O)C1)[C@H]1CCS(=O)(=O)C1 ZINC000246840804 531070649 /nfs/dbraw/zinc/07/06/49/531070649.db2.gz CMANGEFWLLFSDW-IRXDYDNUSA-N 2 2 394.603 1.175 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143799 531146788 /nfs/dbraw/zinc/14/67/88/531146788.db2.gz HWOTWRUSAFTBDU-YCPHGPKFSA-N 2 2 387.571 1.587 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143799 531146791 /nfs/dbraw/zinc/14/67/91/531146791.db2.gz HWOTWRUSAFTBDU-YCPHGPKFSA-N 2 2 387.571 1.587 20 0 GDADLP COc1ccc(Br)cc1C[N@@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486035541 531444498 /nfs/dbraw/zinc/44/44/98/531444498.db2.gz CDJKQTQANMESSH-HNNXBMFYSA-N 2 2 382.302 1.854 20 0 GDADLP COc1ccc(Br)cc1C[N@H+]1CCC[C@H](N2CC[NH2+]CC2=O)C1 ZINC000486035541 531444502 /nfs/dbraw/zinc/44/45/02/531444502.db2.gz CDJKQTQANMESSH-HNNXBMFYSA-N 2 2 382.302 1.854 20 0 GDADLP COc1c(Br)cc(Br)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415052737 531465565 /nfs/dbraw/zinc/46/55/65/531465565.db2.gz IVFWVAGNMQMYOA-JTQLQIEISA-N 2 2 382.096 1.972 20 0 GDADLP COc1c(Br)cc(Br)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415052737 531465566 /nfs/dbraw/zinc/46/55/66/531465566.db2.gz IVFWVAGNMQMYOA-JTQLQIEISA-N 2 2 382.096 1.972 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1Br ZINC000658429379 531510930 /nfs/dbraw/zinc/51/09/30/531510930.db2.gz RFKOSDOUBUWLNP-UHFFFAOYSA-N 2 2 385.306 1.387 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccccc1Br ZINC000658429379 531510935 /nfs/dbraw/zinc/51/09/35/531510935.db2.gz RFKOSDOUBUWLNP-UHFFFAOYSA-N 2 2 385.306 1.387 20 0 GDADLP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000295111466 531524063 /nfs/dbraw/zinc/52/40/63/531524063.db2.gz VDOBTWOQQJWIGH-GFCCVEGCSA-N 2 2 389.319 1.823 20 0 GDADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)NCc2[nH]cc[nH+]2)CC1 ZINC000583424600 531576585 /nfs/dbraw/zinc/57/65/85/531576585.db2.gz LJUHYQPNIUEFOC-UHFFFAOYSA-N 2 2 394.277 1.641 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000556104802 531588612 /nfs/dbraw/zinc/58/86/12/531588612.db2.gz LGFALKZOJNUFQA-MRXNPFEDSA-N 2 2 386.949 1.199 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(Cl)cc(S(N)(=O)=O)c3)C2)CC1 ZINC000556104802 531588616 /nfs/dbraw/zinc/58/86/16/531588616.db2.gz LGFALKZOJNUFQA-MRXNPFEDSA-N 2 2 386.949 1.199 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CCN2C1=O ZINC000583883645 531601397 /nfs/dbraw/zinc/60/13/97/531601397.db2.gz XDYGXBZZMVZDPF-UONOGXRCSA-N 2 2 391.269 1.848 20 0 GDADLP Cn1cc(Br)c(NC(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000640313459 531738294 /nfs/dbraw/zinc/73/82/94/531738294.db2.gz LSKPXUKRYZBCJS-UHFFFAOYSA-N 2 2 399.337 1.863 20 0 GDADLP O=C(N[C@@H]1CC[NH2+]C1)N(CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000418347294 531821284 /nfs/dbraw/zinc/82/12/84/531821284.db2.gz CZAAIMUOVDSHAO-GFCCVEGCSA-N 2 2 382.262 1.812 20 0 GDADLP Brc1cncc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)c1 ZINC000641788783 531853596 /nfs/dbraw/zinc/85/35/96/531853596.db2.gz ULRRGGOROJEACS-QGZVFWFLSA-N 2 2 383.334 1.730 20 0 GDADLP C[C@@H]1CC[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C[NH2+]1 ZINC000625893069 531919526 /nfs/dbraw/zinc/91/95/26/531919526.db2.gz JEIMAKGSLQXGMP-VXGBXAGGSA-N 2 2 398.305 1.943 20 0 GDADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@H](C[NH3+])C1 ZINC000570543380 531940866 /nfs/dbraw/zinc/94/08/66/531940866.db2.gz YNILWGUTYZJBEK-CQSZACIVSA-N 2 2 383.949 2.000 20 0 GDADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@H](C[NH3+])C1 ZINC000570543380 531940872 /nfs/dbraw/zinc/94/08/72/531940872.db2.gz YNILWGUTYZJBEK-CQSZACIVSA-N 2 2 383.949 2.000 20 0 GDADLP Cc1ccc(S(=O)(=O)NCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655735396 531975805 /nfs/dbraw/zinc/97/58/05/531975805.db2.gz UQVDJJAAGYPUFP-INIZCTEOSA-N 2 2 387.571 1.568 20 0 GDADLP C[N@@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154499 532013861 /nfs/dbraw/zinc/01/38/61/532013861.db2.gz HIWAPCQSZRFFNO-BBWFWOEESA-N 2 2 387.933 1.335 20 0 GDADLP C[N@H+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154499 532013867 /nfs/dbraw/zinc/01/38/67/532013867.db2.gz HIWAPCQSZRFFNO-BBWFWOEESA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154499 532013871 /nfs/dbraw/zinc/01/38/71/532013871.db2.gz HIWAPCQSZRFFNO-BBWFWOEESA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@@H]1c1ccc(Cl)cc1 ZINC000632154499 532013873 /nfs/dbraw/zinc/01/38/73/532013873.db2.gz HIWAPCQSZRFFNO-BBWFWOEESA-N 2 2 387.933 1.335 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600726430 532052569 /nfs/dbraw/zinc/05/25/69/532052569.db2.gz LGNMSUSEEYHSCO-HRDYMLBCSA-N 2 2 378.317 1.222 20 0 GDADLP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600726430 532052575 /nfs/dbraw/zinc/05/25/75/532052575.db2.gz LGNMSUSEEYHSCO-HRDYMLBCSA-N 2 2 378.317 1.222 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882575 532069246 /nfs/dbraw/zinc/06/92/46/532069246.db2.gz SQFSFWBQSBJGBB-CJNGLKHVSA-N 2 2 384.318 1.926 20 0 GDADLP CN(CC[NH3+])C(=O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000423511534 532076913 /nfs/dbraw/zinc/07/69/13/532076913.db2.gz UATNWVVYMYKSGZ-UHFFFAOYSA-N 2 2 387.311 1.097 20 0 GDADLP C[NH2+]C[C@H]1CC[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430970990 532258444 /nfs/dbraw/zinc/25/84/44/532258444.db2.gz LXYSGEOVVGAHLZ-CQSZACIVSA-N 2 2 384.318 1.828 20 0 GDADLP C[NH2+]C[C@H]1CC[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)C1 ZINC000430970990 532258446 /nfs/dbraw/zinc/25/84/46/532258446.db2.gz LXYSGEOVVGAHLZ-CQSZACIVSA-N 2 2 384.318 1.828 20 0 GDADLP CCC[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC[NH2+]CC1 ZINC000431099285 532261018 /nfs/dbraw/zinc/26/10/18/532261018.db2.gz IVVOOVIJUHFUFC-UHFFFAOYSA-N 2 2 388.921 1.390 20 0 GDADLP CCC[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C1CC[NH2+]CC1 ZINC000431099285 532261023 /nfs/dbraw/zinc/26/10/23/532261023.db2.gz IVVOOVIJUHFUFC-UHFFFAOYSA-N 2 2 388.921 1.390 20 0 GDADLP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289441369 532324511 /nfs/dbraw/zinc/32/45/11/532324511.db2.gz FWVITXZPKDEDKG-CQSZACIVSA-N 2 2 393.333 1.755 20 0 GDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527484 532326939 /nfs/dbraw/zinc/32/69/39/532326939.db2.gz AAGCHIJSBCDUBD-DZGCQCFKSA-N 2 2 397.317 1.428 20 0 GDADLP C[C@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112984 598972684 /nfs/dbraw/zinc/97/26/84/598972684.db2.gz LMKPLXBCCKHYEW-WMLDXEAASA-N 2 2 398.515 1.395 20 0 GDADLP C[C@H](NC(=O)N[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112984 598972687 /nfs/dbraw/zinc/97/26/87/598972687.db2.gz LMKPLXBCCKHYEW-WMLDXEAASA-N 2 2 398.515 1.395 20 0 GDADLP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399533 599072928 /nfs/dbraw/zinc/07/29/28/599072928.db2.gz LDNSAKKFGOMXBH-RDTXWAMCSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cccc(NC[C@H]2CC[N@H+]([C@@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399533 599072931 /nfs/dbraw/zinc/07/29/31/599072931.db2.gz LDNSAKKFGOMXBH-RDTXWAMCSA-N 2 2 392.467 1.531 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC000736851469 598811763 /nfs/dbraw/zinc/81/17/63/598811763.db2.gz IPTBXUZCSGJVLX-FPLPWBNLSA-N 2 2 383.500 1.364 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C=Cc1cccc(-c2nn[nH]n2)c1 ZINC000736851469 598811765 /nfs/dbraw/zinc/81/17/65/598811765.db2.gz IPTBXUZCSGJVLX-FPLPWBNLSA-N 2 2 383.500 1.364 20 0 GDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883443 599315978 /nfs/dbraw/zinc/31/59/78/599315978.db2.gz YDVSCWPAJVRPFK-YLJYHZDGSA-N 2 2 399.543 1.655 20 0 GDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+]([C@H](C)c3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735883443 599315981 /nfs/dbraw/zinc/31/59/81/599315981.db2.gz YDVSCWPAJVRPFK-YLJYHZDGSA-N 2 2 399.543 1.655 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](CC(C)(C)O)CC3)c2c1 ZINC000822195650 599518985 /nfs/dbraw/zinc/51/89/85/599518985.db2.gz ZGDXCTBOGBPXFM-UHFFFAOYSA-N 2 2 381.484 1.925 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826331032 607529695 /nfs/dbraw/zinc/52/96/95/607529695.db2.gz QJTWRGGBXXYXLA-UHFFFAOYSA-N 2 2 389.485 1.167 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)CCS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1 ZINC000826331032 607529697 /nfs/dbraw/zinc/52/96/97/607529697.db2.gz QJTWRGGBXXYXLA-UHFFFAOYSA-N 2 2 389.485 1.167 20 0 GDADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)[C@@H]1CCn2c[nH+]cc2C1 ZINC000825865445 607571157 /nfs/dbraw/zinc/57/11/57/607571157.db2.gz FMMYUUJSBDXCED-QGZVFWFLSA-N 2 2 394.483 1.216 20 0 GDADLP Cc1c[nH+]cn1CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000529465072 649946254 /nfs/dbraw/zinc/94/62/54/649946254.db2.gz UNJYEFIIXJPWSQ-UHFFFAOYSA-N 2 2 393.289 1.740 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+](CCCCO)CC3)c2c1 ZINC000822195560 606126754 /nfs/dbraw/zinc/12/67/54/606126754.db2.gz WGFIZUCMANBQJF-UHFFFAOYSA-N 2 2 381.484 1.926 20 0 GDADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503082 606323734 /nfs/dbraw/zinc/32/37/34/606323734.db2.gz AWZCCSGXWJQIRB-AWEZNQCLSA-N 2 2 384.469 1.567 20 0 GDADLP CCc1nnc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821527384 606935099 /nfs/dbraw/zinc/93/50/99/606935099.db2.gz DNXDSFNOEBQJAY-ZDUSSCGKSA-N 2 2 385.520 1.362 20 0 GDADLP CCc1nnc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c(-c2nn[nH]n2)c1CC ZINC000821527384 606935100 /nfs/dbraw/zinc/93/51/00/606935100.db2.gz DNXDSFNOEBQJAY-ZDUSSCGKSA-N 2 2 385.520 1.362 20 0 GDADLP C[NH+]1CCN(CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000565040604 650777719 /nfs/dbraw/zinc/77/77/19/650777719.db2.gz VELYTIOMBUVFBV-KRWDZBQOSA-N 2 2 383.334 1.377 20 0 GDADLP CN1CC[NH+](CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000565040604 650777745 /nfs/dbraw/zinc/77/77/45/650777745.db2.gz VELYTIOMBUVFBV-KRWDZBQOSA-N 2 2 383.334 1.377 20 0 GDADLP CN(C)c1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(=S)s1 ZINC000124734747 644709493 /nfs/dbraw/zinc/70/94/93/644709493.db2.gz VMHAACNJRKNNHL-YIONKMFJSA-N 2 2 382.603 1.940 20 0 GDADLP CN(C)c1nn(CN2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(=S)s1 ZINC000124734747 644709500 /nfs/dbraw/zinc/70/95/00/644709500.db2.gz VMHAACNJRKNNHL-YIONKMFJSA-N 2 2 382.603 1.940 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755591 645254028 /nfs/dbraw/zinc/25/40/28/645254028.db2.gz IVKZSDHFWFHIAE-BFYDXBDKSA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755591 645254033 /nfs/dbraw/zinc/25/40/33/645254033.db2.gz IVKZSDHFWFHIAE-BFYDXBDKSA-N 2 2 385.302 1.642 20 0 GDADLP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773163 647163766 /nfs/dbraw/zinc/16/37/66/647163766.db2.gz WSAQWJDORRGKPY-NWDGAFQWSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000442773163 647163773 /nfs/dbraw/zinc/16/37/73/647163773.db2.gz WSAQWJDORRGKPY-NWDGAFQWSA-N 2 2 388.921 1.198 20 0 GDADLP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850978 647567161 /nfs/dbraw/zinc/56/71/61/647567161.db2.gz ZEVFGGDFWSQOPO-MSOLQXFVSA-N 2 2 375.579 1.529 20 0 GDADLP [NH3+]C[C@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000572241835 651092894 /nfs/dbraw/zinc/09/28/94/651092894.db2.gz JVCYVROWIXMKQV-HOTGVXAUSA-N 2 2 382.302 1.772 20 0 GDADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000629569719 653173147 /nfs/dbraw/zinc/17/31/47/653173147.db2.gz RDTODIVMDYBRKM-UHFFFAOYSA-N 2 2 380.233 1.834 20 0 GDADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC000629569719 653173148 /nfs/dbraw/zinc/17/31/48/653173148.db2.gz RDTODIVMDYBRKM-UHFFFAOYSA-N 2 2 380.233 1.834 20 0 GDADLP [NH3+]CC[C@@H](NC(=O)NCc1cc[nH+]c(N2CCSCC2)c1)C(F)(F)F ZINC000632953190 653416324 /nfs/dbraw/zinc/41/63/24/653416324.db2.gz PNGOBGONRHTDRP-GFCCVEGCSA-N 2 2 377.436 1.714 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662260374 654291186 /nfs/dbraw/zinc/29/11/86/654291186.db2.gz KPXTXOHOCZCLGW-TZMCWYRMSA-N 2 2 383.290 1.483 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@H]2C[NH2+]CCO2)C1 ZINC000662260374 654291188 /nfs/dbraw/zinc/29/11/88/654291188.db2.gz KPXTXOHOCZCLGW-TZMCWYRMSA-N 2 2 383.290 1.483 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000810218598 655153773 /nfs/dbraw/zinc/15/37/73/655153773.db2.gz JSQRNXZOANQIQP-GDBMZVCRSA-N 2 2 383.334 1.901 20 0 GDADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786857 655176879 /nfs/dbraw/zinc/17/68/79/655176879.db2.gz LHPSIVIMOKCZKJ-MEDUHNTESA-N 2 2 378.441 1.409 20 0 GDADLP COc1cc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)ccc1S(=O)(=O)C(F)F ZINC000762786857 655176880 /nfs/dbraw/zinc/17/68/80/655176880.db2.gz LHPSIVIMOKCZKJ-MEDUHNTESA-N 2 2 378.441 1.409 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000855414762 655693713 /nfs/dbraw/zinc/69/37/13/655693713.db2.gz LAFSBUYBDQYSDX-INIZCTEOSA-N 2 2 384.318 1.752 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@H]1Cc2cc(Br)ccc2O1 ZINC000855414762 655693714 /nfs/dbraw/zinc/69/37/14/655693714.db2.gz LAFSBUYBDQYSDX-INIZCTEOSA-N 2 2 384.318 1.752 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCn1cc(COc2ccc(Br)nc2)nn1 ZINC000864646319 655903608 /nfs/dbraw/zinc/90/36/08/655903608.db2.gz ZSXUSMFWGXWIDC-UHFFFAOYSA-N 2 2 397.321 1.898 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc(COc2ccc(Br)nc2)nn1 ZINC000864646319 655903610 /nfs/dbraw/zinc/90/36/10/655903610.db2.gz ZSXUSMFWGXWIDC-UHFFFAOYSA-N 2 2 397.321 1.898 20 0 GDADLP Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658905 655952743 /nfs/dbraw/zinc/95/27/43/655952743.db2.gz ADCRWIQAYZQQKA-OCCSQVGLSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658905 655952745 /nfs/dbraw/zinc/95/27/45/655952745.db2.gz ADCRWIQAYZQQKA-OCCSQVGLSA-N 2 2 384.322 1.263 20 0 GDADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710153 655955871 /nfs/dbraw/zinc/95/58/71/655955871.db2.gz WKHFBCPXTSJDGC-LZWOXQAQSA-N 2 2 396.285 1.825 20 0 GDADLP COc1ccc(Br)cc1C[N@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710153 655955872 /nfs/dbraw/zinc/95/58/72/655955872.db2.gz WKHFBCPXTSJDGC-LZWOXQAQSA-N 2 2 396.285 1.825 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccc(Br)c2)[C@@H]2CCOC2)CC1 ZINC000872026985 656318232 /nfs/dbraw/zinc/31/82/32/656318232.db2.gz AGIMWEXKZLKELU-QAPCUYQASA-N 2 2 396.329 1.890 20 0 GDADLP NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452694 656553665 /nfs/dbraw/zinc/55/36/65/656553665.db2.gz SXWYTZXXQXUGSV-CABCVRRESA-N 2 2 382.302 1.805 20 0 GDADLP COC[C@@]1(C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)C[NH2+]CCO1 ZINC000876890273 656637151 /nfs/dbraw/zinc/63/71/51/656637151.db2.gz ZSPBWOGJJITUHY-MRXNPFEDSA-N 2 2 386.290 1.454 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000884225334 657336835 /nfs/dbraw/zinc/33/68/35/657336835.db2.gz OXQCPTMIHVPRRD-MRXNPFEDSA-N 2 2 382.302 1.772 20 0 GDADLP Cn1cc(C(=O)NCC2([NH+]3CCCCC3)CC[NH+](C)CC2)c(Br)n1 ZINC000889247604 657986226 /nfs/dbraw/zinc/98/62/26/657986226.db2.gz QKRQADTZXHIJOA-UHFFFAOYSA-N 2 2 398.349 1.863 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000896325761 658768441 /nfs/dbraw/zinc/76/84/41/658768441.db2.gz SIBRCBWZZUYRPB-LBPRGKRZSA-N 2 2 396.333 1.490 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nn4c(c3Br)CCC4)C2)CC1 ZINC000896325761 658768444 /nfs/dbraw/zinc/76/84/44/658768444.db2.gz SIBRCBWZZUYRPB-LBPRGKRZSA-N 2 2 396.333 1.490 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc4cc(OC)ccc4c[nH+]3)C2)C1 ZINC001164724226 720270903 /nfs/dbraw/zinc/27/09/03/720270903.db2.gz ZVFHUTOVEHOMRT-JOCHJYFZSA-N 2 2 398.507 1.908 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc4cc(OC)ccc4c[nH+]3)C2)C1 ZINC001164724226 720270910 /nfs/dbraw/zinc/27/09/10/720270910.db2.gz ZVFHUTOVEHOMRT-JOCHJYFZSA-N 2 2 398.507 1.908 20 0 GDADLP Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(c1[nH+]ccc3[nH]ccc31)C2 ZINC001164827652 720431909 /nfs/dbraw/zinc/43/19/09/720431909.db2.gz UWBCWPWOXPPYMR-MRXNPFEDSA-N 2 2 396.495 1.749 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746094 720808554 /nfs/dbraw/zinc/80/85/54/720808554.db2.gz LTUIBCJXGXODTD-IPMKNSEASA-N 2 2 396.543 1.904 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@@H](C[C@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746094 720808555 /nfs/dbraw/zinc/80/85/55/720808555.db2.gz LTUIBCJXGXODTD-IPMKNSEASA-N 2 2 396.543 1.904 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC[C@H]2C1 ZINC001164858646 720883176 /nfs/dbraw/zinc/88/31/76/720883176.db2.gz LOFKBIDUBPGEHS-GBESFXJTSA-N 2 2 389.544 1.886 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3cc(N4CCC[C@H](C)C4)[nH+]cn3)CC[C@H]2C1 ZINC001164858646 720883177 /nfs/dbraw/zinc/88/31/77/720883177.db2.gz LOFKBIDUBPGEHS-GBESFXJTSA-N 2 2 389.544 1.886 20 0 GDADLP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)[nH]1 ZINC001164868963 721268685 /nfs/dbraw/zinc/26/86/85/721268685.db2.gz HHEXCTIHDAUUAZ-UHFFFAOYSA-N 2 2 386.500 1.273 20 0 GDADLP Cc1cc2c(nc[nH+]c2N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)[nH]1 ZINC001164868963 721268690 /nfs/dbraw/zinc/26/86/90/721268690.db2.gz HHEXCTIHDAUUAZ-UHFFFAOYSA-N 2 2 386.500 1.273 20 0 GDADLP Cc1ccc(N2CCO[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]32)nn1 ZINC001164775193 721311559 /nfs/dbraw/zinc/31/15/59/721311559.db2.gz AVKSXRWEDCQYEA-ZWKOTPCHSA-N 2 2 395.511 1.026 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(c5cccnc5)C(=O)[C@@H]4C3)[nH+]2)CC1 ZINC001165019208 721791210 /nfs/dbraw/zinc/79/12/10/721791210.db2.gz JVPYIOVNCSCMJA-SJLPKXTDSA-N 2 2 378.480 1.328 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C[C@@H](C(=O)NC5CCC5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164972052 722085197 /nfs/dbraw/zinc/08/51/97/722085197.db2.gz KOHKIVQISQCNFR-BCDXTJNWSA-N 2 2 383.540 1.965 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281224 945800917 /nfs/dbraw/zinc/80/09/17/945800917.db2.gz FVQTVLIBJNBANM-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281224 945800932 /nfs/dbraw/zinc/80/09/32/945800932.db2.gz FVQTVLIBJNBANM-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281224 945800941 /nfs/dbraw/zinc/80/09/41/945800941.db2.gz FVQTVLIBJNBANM-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281224 945800951 /nfs/dbraw/zinc/80/09/51/945800951.db2.gz FVQTVLIBJNBANM-OAUYIBNBSA-N 2 2 387.463 1.179 20 0 GDADLP CC(C)(C)NC(=O)CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824093712 946584732 /nfs/dbraw/zinc/58/47/32/946584732.db2.gz KXTNSXKNCQKYJX-UHFFFAOYSA-N 2 2 385.516 1.726 20 0 GDADLP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001571317680 946619698 /nfs/dbraw/zinc/61/96/98/946619698.db2.gz QSTUXCYPSRMSKW-HRCADAONSA-N 2 2 392.467 1.063 20 0 GDADLP CC(=O)NCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)cc1 ZINC001573533581 946717464 /nfs/dbraw/zinc/71/74/64/946717464.db2.gz UBTBEHBBULTEAD-UHFFFAOYSA-N 2 2 392.467 1.220 20 0 GDADLP CNC(=O)C1CCC([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000826050804 947419854 /nfs/dbraw/zinc/41/98/54/947419854.db2.gz DVKQNUTUUKPERR-UHFFFAOYSA-N 2 2 397.527 1.726 20 0 GDADLP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826333325 947968379 /nfs/dbraw/zinc/96/83/79/947968379.db2.gz CRGMMPOKXSRWSO-UHFFFAOYSA-N 2 2 380.500 1.971 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)N(C)CCN(C)c1cc[nH+]cc1-c1nn[nH]n1 ZINC001574427686 948910631 /nfs/dbraw/zinc/91/06/31/948910631.db2.gz KVWJJPXUWIWWJG-UHFFFAOYSA-N 2 2 383.460 1.176 20 0 GDADLP C[C@@H]1[C@H](NC(=O)CCn2cc[nH+]c2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575880564 949704084 /nfs/dbraw/zinc/70/40/84/949704084.db2.gz ULHQMQZTXQVJGX-UKRRQHHQSA-N 2 2 381.444 1.022 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285213 949938744 /nfs/dbraw/zinc/93/87/44/949938744.db2.gz LUWXLQCPKRETDB-GJZGRUSLSA-N 2 2 386.504 1.323 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285213 949938764 /nfs/dbraw/zinc/93/87/64/949938764.db2.gz LUWXLQCPKRETDB-GJZGRUSLSA-N 2 2 386.504 1.323 20 0 GDADLP CC(C)C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574151302 950071486 /nfs/dbraw/zinc/07/14/86/950071486.db2.gz OZHWZMVLXPSPKJ-INIZCTEOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575900139 950191523 /nfs/dbraw/zinc/19/15/23/950191523.db2.gz COZVMALXYIDPNS-BDJLRTHQSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575904684 950284063 /nfs/dbraw/zinc/28/40/63/950284063.db2.gz AHFRRWQMILMRGP-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574504047 950421607 /nfs/dbraw/zinc/42/16/07/950421607.db2.gz ZSAFFVNDLQFNSY-KGLIPLIRSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@@H](CC(=O)NC[C@H]1CCCN1c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574504048 950424635 /nfs/dbraw/zinc/42/46/35/950424635.db2.gz ZSAFFVNDLQFNSY-UONOGXRCSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574515146 950622666 /nfs/dbraw/zinc/62/26/66/950622666.db2.gz AHFCVIGSDGFQCT-XYPHTWIQSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cc[nH+]c1 ZINC001574517773 950645926 /nfs/dbraw/zinc/64/59/26/950645926.db2.gz LYFCRVKWLJDJIN-WKCGWZECSA-N 2 2 392.467 1.261 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21)n1cc[nH+]c1 ZINC001574517773 950645941 /nfs/dbraw/zinc/64/59/41/950645941.db2.gz LYFCRVKWLJDJIN-WKCGWZECSA-N 2 2 392.467 1.261 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574521763 950782288 /nfs/dbraw/zinc/78/22/88/950782288.db2.gz HMBNKLHDXVIHFH-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001574772129 950958751 /nfs/dbraw/zinc/95/87/51/950958751.db2.gz PSMHHEJQSAZCNZ-SUMWQHHRSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001574772129 950958772 /nfs/dbraw/zinc/95/87/72/950958772.db2.gz PSMHHEJQSAZCNZ-SUMWQHHRSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574772129 950958789 /nfs/dbraw/zinc/95/87/89/950958789.db2.gz PSMHHEJQSAZCNZ-SUMWQHHRSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574772129 950958804 /nfs/dbraw/zinc/95/88/04/950958804.db2.gz PSMHHEJQSAZCNZ-SUMWQHHRSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165664 952753593 /nfs/dbraw/zinc/75/35/93/952753593.db2.gz HKJIGMRTBNZHFX-BBRMVZONSA-N 2 2 380.456 1.017 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166009 952757404 /nfs/dbraw/zinc/75/74/04/952757404.db2.gz JZPSUQNBIYDOMV-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166009 952757408 /nfs/dbraw/zinc/75/74/08/952757408.db2.gz JZPSUQNBIYDOMV-YOEHRIQHSA-N 2 2 380.456 1.233 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2ccc(Br)cc2)CN1CC[NH+]1CCOCC1 ZINC000172697402 530617123 /nfs/dbraw/zinc/61/71/23/530617123.db2.gz RREDPPRFENTDQF-INIZCTEOSA-N 2 2 382.302 1.472 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCSC[C@@H]2c2nccs2)CC1 ZINC000185606435 530844109 /nfs/dbraw/zinc/84/41/09/530844109.db2.gz ANUMCFIQQJIHAK-OAHLLOKOSA-N 2 2 383.587 1.969 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000188834410 530901964 /nfs/dbraw/zinc/90/19/64/530901964.db2.gz IKQSNYYVAIZDHT-UHFFFAOYSA-N 2 2 388.281 1.673 20 0 GDADLP C[C@@]1(C[NH3+])CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000261875579 531101240 /nfs/dbraw/zinc/10/12/40/531101240.db2.gz UCIXVNSNGBQLHJ-INIZCTEOSA-N 2 2 383.290 1.175 20 0 GDADLP C[C@@]1(C[NH3+])CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000261875579 531101242 /nfs/dbraw/zinc/10/12/42/531101242.db2.gz UCIXVNSNGBQLHJ-INIZCTEOSA-N 2 2 383.290 1.175 20 0 GDADLP Cn1ncc(Br)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000278299360 531351150 /nfs/dbraw/zinc/35/11/50/531351150.db2.gz CLNISOFOVKCUFZ-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP CC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC1 ZINC000414270813 531437268 /nfs/dbraw/zinc/43/72/68/531437268.db2.gz WMIUHBPYEWYORA-UHFFFAOYSA-N 2 2 376.320 1.670 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000545302679 531490502 /nfs/dbraw/zinc/49/05/02/531490502.db2.gz GFMNMSRLGISZIW-OCCSQVGLSA-N 2 2 395.305 1.548 20 0 GDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489886729 531512274 /nfs/dbraw/zinc/51/22/74/531512274.db2.gz UCEDYEXOFHVWEK-CZUORRHYSA-N 2 2 381.318 1.756 20 0 GDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657889984 531497266 /nfs/dbraw/zinc/49/72/66/531497266.db2.gz UCOQPWHSJYPPRS-QGZVFWFLSA-N 2 2 383.583 1.998 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000658428796 531510354 /nfs/dbraw/zinc/51/03/54/531510354.db2.gz NXLPTDNCNAZMJN-UHFFFAOYSA-N 2 2 381.424 1.100 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1nc(C(F)(F)F)cs1 ZINC000658428796 531510361 /nfs/dbraw/zinc/51/03/61/531510361.db2.gz NXLPTDNCNAZMJN-UHFFFAOYSA-N 2 2 381.424 1.100 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000558487733 531563451 /nfs/dbraw/zinc/56/34/51/531563451.db2.gz GPNLEJXPFWGITQ-SFHVURJKSA-N 2 2 385.599 1.865 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000558487733 531563458 /nfs/dbraw/zinc/56/34/58/531563458.db2.gz GPNLEJXPFWGITQ-SFHVURJKSA-N 2 2 385.599 1.865 20 0 GDADLP O=C(NCC[C@@H]1CC[NH2+]C1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000583800493 531596006 /nfs/dbraw/zinc/59/60/06/531596006.db2.gz FNNCBDZWQVJCBC-LBPRGKRZSA-N 2 2 398.305 1.802 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662155848 531669245 /nfs/dbraw/zinc/66/92/45/531669245.db2.gz HDNILFLOWGWDPW-SJORKVTESA-N 2 2 399.329 1.720 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662155848 531669247 /nfs/dbraw/zinc/66/92/47/531669247.db2.gz HDNILFLOWGWDPW-SJORKVTESA-N 2 2 399.329 1.720 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[NH2+][C@H](C)C3)[nH+]c12 ZINC000417995469 531794927 /nfs/dbraw/zinc/79/49/27/531794927.db2.gz AZRFWEOOZPFNPH-GFCCVEGCSA-N 2 2 380.290 1.951 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3CCC[NH2+]C3)[nH+]c12 ZINC000418027032 531800334 /nfs/dbraw/zinc/80/03/34/531800334.db2.gz WXSNKORISJEJIX-CYBMUJFWSA-N 2 2 380.290 1.999 20 0 GDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@H](O)COc1ccc(Cl)cc1Br ZINC000563143234 531813282 /nfs/dbraw/zinc/81/32/82/531813282.db2.gz PCULIQSTVJNWHW-RYUDHWBXSA-N 2 2 381.698 1.354 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000669574351 531816371 /nfs/dbraw/zinc/81/63/71/531816371.db2.gz NCKOQTCJPBKWHE-SLEUVZQESA-N 2 2 385.281 1.728 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccc(Br)c(F)c2)[C@@H](C[NH3+])C1 ZINC000669574351 531816380 /nfs/dbraw/zinc/81/63/80/531816380.db2.gz NCKOQTCJPBKWHE-SLEUVZQESA-N 2 2 385.281 1.728 20 0 GDADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000563588054 531853764 /nfs/dbraw/zinc/85/37/64/531853764.db2.gz REVWQGSXAUIYAM-WQVCFCJDSA-N 2 2 399.333 1.809 20 0 GDADLP CO[C@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563588041 531854184 /nfs/dbraw/zinc/85/41/84/531854184.db2.gz REVWQGSXAUIYAM-KCXAZCMYSA-N 2 2 399.333 1.809 20 0 GDADLP C[NH2+]CCCN(C)C(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000419038582 531886117 /nfs/dbraw/zinc/88/61/17/531886117.db2.gz FQDHVYSEUJZYGK-UHFFFAOYSA-N 2 2 396.289 1.089 20 0 GDADLP COc1nc(N2CC[NH+](CCn3cc[nH+]c3C)CC2)ncc1Br ZINC000270820388 531926769 /nfs/dbraw/zinc/92/67/69/531926769.db2.gz AZGIDGQUVPEKCD-UHFFFAOYSA-N 2 2 381.278 1.575 20 0 GDADLP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1OC(F)F ZINC000657071760 531997653 /nfs/dbraw/zinc/99/76/53/531997653.db2.gz UMNIERXSHBUKSC-ZDUSSCGKSA-N 2 2 379.473 1.838 20 0 GDADLP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NS(=O)(=O)c1ccccc1OC(F)F ZINC000657071760 531997662 /nfs/dbraw/zinc/99/76/62/531997662.db2.gz UMNIERXSHBUKSC-ZDUSSCGKSA-N 2 2 379.473 1.838 20 0 GDADLP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420109933 532003178 /nfs/dbraw/zinc/00/31/78/532003178.db2.gz ZHGDGXBJBILJTA-UHFFFAOYSA-N 2 2 396.289 1.347 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422859836 532068201 /nfs/dbraw/zinc/06/82/01/532068201.db2.gz KYLVNPXRIATVNW-BBRMVZONSA-N 2 2 384.318 1.926 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422859837 532068365 /nfs/dbraw/zinc/06/83/65/532068365.db2.gz KYLVNPXRIATVNW-CJNGLKHVSA-N 2 2 384.318 1.926 20 0 GDADLP COc1cc2[nH+]ccc(N3CC[NH+](CC(N)=O)CC3)c2cc1Br ZINC000425206319 532128666 /nfs/dbraw/zinc/12/86/66/532128666.db2.gz JNRDAPZMLCHFRE-UHFFFAOYSA-N 2 2 379.258 1.613 20 0 GDADLP [NH3+]CC1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000333241842 532227424 /nfs/dbraw/zinc/22/74/24/532227424.db2.gz BFKQUFIUNZMGER-UHFFFAOYSA-N 2 2 398.305 1.883 20 0 GDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000275334706 532287808 /nfs/dbraw/zinc/28/78/08/532287808.db2.gz WMNPITBFRHJWFG-MRXNPFEDSA-N 2 2 397.317 1.071 20 0 GDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000275334706 532287810 /nfs/dbraw/zinc/28/78/10/532287810.db2.gz WMNPITBFRHJWFG-MRXNPFEDSA-N 2 2 397.317 1.071 20 0 GDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395628 599011344 /nfs/dbraw/zinc/01/13/44/599011344.db2.gz XQPGLRUBZKMINK-PMACEKPBSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395628 599011346 /nfs/dbraw/zinc/01/13/46/599011346.db2.gz XQPGLRUBZKMINK-PMACEKPBSA-N 2 2 378.480 1.839 20 0 GDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438118 599073219 /nfs/dbraw/zinc/07/32/19/599073219.db2.gz YQAGUOMYEJKMBU-KSSFIOAISA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000737438118 599073222 /nfs/dbraw/zinc/07/32/22/599073222.db2.gz YQAGUOMYEJKMBU-KSSFIOAISA-N 2 2 392.467 1.531 20 0 GDADLP Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000822217863 599272833 /nfs/dbraw/zinc/27/28/33/599272833.db2.gz PVELRQKUJYARRT-UHFFFAOYSA-N 2 2 386.504 1.665 20 0 GDADLP Cc1ccc(-c2nn[nH]n2)cc1NC(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000822217863 599272834 /nfs/dbraw/zinc/27/28/34/599272834.db2.gz PVELRQKUJYARRT-UHFFFAOYSA-N 2 2 386.504 1.665 20 0 GDADLP O=C1[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292192 598342474 /nfs/dbraw/zinc/34/24/74/598342474.db2.gz YEEAJBQSPIHHEM-IAGOWNOFSA-N 2 2 378.440 1.506 20 0 GDADLP O=C1[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292192 598342476 /nfs/dbraw/zinc/34/24/76/598342476.db2.gz YEEAJBQSPIHHEM-IAGOWNOFSA-N 2 2 378.440 1.506 20 0 GDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3cccc(-c4nn[nH]n4)c3)cc2)CC1 ZINC000736858418 598493339 /nfs/dbraw/zinc/49/33/39/598493339.db2.gz ZZUKEYUCUSPVES-UHFFFAOYSA-N 2 2 391.479 1.544 20 0 GDADLP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738387175 598762790 /nfs/dbraw/zinc/76/27/90/598762790.db2.gz NSEZPVTZVYQLRH-DOTOQJQBSA-N 2 2 395.467 1.435 20 0 GDADLP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000738387175 598762791 /nfs/dbraw/zinc/76/27/91/598762791.db2.gz NSEZPVTZVYQLRH-DOTOQJQBSA-N 2 2 395.467 1.435 20 0 GDADLP CC[NH+](CC)CC(=O)N1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736534570 598766259 /nfs/dbraw/zinc/76/62/59/598766259.db2.gz QUUMGDNOSFUIHX-UHFFFAOYSA-N 2 2 396.499 1.105 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N[C@H](C)[C@@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195335 599528966 /nfs/dbraw/zinc/52/89/66/599528966.db2.gz PBIQCWHAPWGJJG-HUUCEWRRSA-N 2 2 381.484 1.975 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000822192797 606450782 /nfs/dbraw/zinc/45/07/82/606450782.db2.gz BAJNQUGIQZHMLI-KRWDZBQOSA-N 2 2 379.468 1.710 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000822192797 606450784 /nfs/dbraw/zinc/45/07/84/606450784.db2.gz BAJNQUGIQZHMLI-KRWDZBQOSA-N 2 2 379.468 1.710 20 0 GDADLP C[C@@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992557 608151086 /nfs/dbraw/zinc/15/10/86/608151086.db2.gz MPPNUEXNRNDAKL-DNVCBOLYSA-N 2 2 392.511 1.877 20 0 GDADLP C[C@H]1C[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985163 608171113 /nfs/dbraw/zinc/17/11/13/608171113.db2.gz SGNKTABYOOIHHY-FUHWJXTLSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985163 608171115 /nfs/dbraw/zinc/17/11/15/608171115.db2.gz SGNKTABYOOIHHY-FUHWJXTLSA-N 2 2 385.516 1.203 20 0 GDADLP [NH3+][C@H]1C[C@@H]2CN(c3cc[nH+]c4c(Br)ccc(F)c34)CCN2C1=O ZINC000566489774 650852328 /nfs/dbraw/zinc/85/23/28/650852328.db2.gz ZDGBVTKWALJCCZ-SKDRFNHKSA-N 2 2 379.233 1.885 20 0 GDADLP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1F ZINC000423100953 646113820 /nfs/dbraw/zinc/11/38/20/646113820.db2.gz NDBNQHSUHBJNRG-GOEBONIOSA-N 2 2 391.896 1.114 20 0 GDADLP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1F ZINC000423100955 646113927 /nfs/dbraw/zinc/11/39/27/646113927.db2.gz NDBNQHSUHBJNRG-ZBFHGGJFSA-N 2 2 391.896 1.114 20 0 GDADLP Cc1cc(Br)cn2c(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000470007756 647719705 /nfs/dbraw/zinc/71/97/05/647719705.db2.gz CZEGEHMXJFYVPL-ZDUSSCGKSA-N 2 2 394.317 1.692 20 0 GDADLP Cc1cc(Br)cn2c(C[N@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cnc12 ZINC000470007756 647719714 /nfs/dbraw/zinc/71/97/14/647719714.db2.gz CZEGEHMXJFYVPL-ZDUSSCGKSA-N 2 2 394.317 1.692 20 0 GDADLP C[NH+](C)[C@@]1(CNS(=O)(=O)c2ccccc2Cn2cc[nH+]c2)CCSC1 ZINC000574713971 651562815 /nfs/dbraw/zinc/56/28/15/651562815.db2.gz NGLCVUPJDBFZRH-QGZVFWFLSA-N 2 2 380.539 1.647 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000617765446 652976363 /nfs/dbraw/zinc/97/63/63/652976363.db2.gz ASTRLQYUHJFKKI-HNNXBMFYSA-N 2 2 384.318 1.925 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@H]1COc2ccc(Br)cc21 ZINC000617765446 652976365 /nfs/dbraw/zinc/97/63/65/652976365.db2.gz ASTRLQYUHJFKKI-HNNXBMFYSA-N 2 2 384.318 1.925 20 0 GDADLP C[NH+](C)[C@H]1CCN(c2ccc(NCc3ccc(S(N)(=O)=O)s3)[nH+]c2)C1 ZINC000638790198 653543744 /nfs/dbraw/zinc/54/37/44/653543744.db2.gz WHZZBSFUYFAUQL-ZDUSSCGKSA-N 2 2 381.527 1.543 20 0 GDADLP CC1([NH3+])CC[NH+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000649416022 653667206 /nfs/dbraw/zinc/66/72/06/653667206.db2.gz IKPOCULWBCPILB-UHFFFAOYSA-N 2 2 386.327 1.850 20 0 GDADLP O=S(=O)(CC[NH2+][C@H]1CCCSCC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000657841777 654166957 /nfs/dbraw/zinc/16/69/57/654166957.db2.gz GEVCTNPKCHUNCZ-INIZCTEOSA-N 2 2 384.571 1.409 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662470668 654295096 /nfs/dbraw/zinc/29/50/96/654295096.db2.gz IANQBGHDMZYDAW-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])c1ccccc1Br ZINC000662470668 654295106 /nfs/dbraw/zinc/29/51/06/654295106.db2.gz IANQBGHDMZYDAW-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662494070 654297040 /nfs/dbraw/zinc/29/70/40/654297040.db2.gz VQXRIECLHLZYGQ-WMLDXEAASA-N 2 2 397.361 1.839 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662630977 654298925 /nfs/dbraw/zinc/29/89/25/654298925.db2.gz JLGLVGMMQYZEFQ-KRWDZBQOSA-N 3 2 385.350 1.623 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000662630977 654298931 /nfs/dbraw/zinc/29/89/31/654298931.db2.gz JLGLVGMMQYZEFQ-KRWDZBQOSA-N 3 2 385.350 1.623 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000742718272 654709170 /nfs/dbraw/zinc/70/91/70/654709170.db2.gz NMJSKMXLMZTGTN-TZMCWYRMSA-N 2 2 385.921 1.827 20 0 GDADLP Cc1nn(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1Br ZINC000684142633 654792842 /nfs/dbraw/zinc/79/28/42/654792842.db2.gz BYLXHGWPKQAESG-UHFFFAOYSA-N 2 2 386.338 1.381 20 0 GDADLP CC(C)c1ncc(Br)c(C(=O)NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000824958240 655482778 /nfs/dbraw/zinc/48/27/78/655482778.db2.gz SZJHHUMTRCPJKJ-UHFFFAOYSA-N 2 2 386.338 1.976 20 0 GDADLP CC(C)c1ncc(Br)c(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000824958240 655482780 /nfs/dbraw/zinc/48/27/80/655482780.db2.gz SZJHHUMTRCPJKJ-UHFFFAOYSA-N 2 2 386.338 1.976 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867958176 656135667 /nfs/dbraw/zinc/13/56/67/656135667.db2.gz KWSLMAYUASIPGU-MRXNPFEDSA-N 2 2 382.302 1.772 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000870900795 656254476 /nfs/dbraw/zinc/25/44/76/656254476.db2.gz WTLFRXGSKBFTQM-BBRMVZONSA-N 2 2 382.302 1.630 20 0 GDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870931795 656256263 /nfs/dbraw/zinc/25/62/63/656256263.db2.gz NGXWSCLSBIUJGJ-OAHLLOKOSA-N 2 2 392.301 1.968 20 0 GDADLP CN(C(=O)Cc1c(Br)cnn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000879167459 656778498 /nfs/dbraw/zinc/77/84/98/656778498.db2.gz JEIHOAHAPFMHFY-CQSZACIVSA-N 2 2 398.349 1.352 20 0 GDADLP CN(C(=O)Cc1c(Br)cnn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000879167459 656778502 /nfs/dbraw/zinc/77/85/02/656778502.db2.gz JEIHOAHAPFMHFY-CQSZACIVSA-N 2 2 398.349 1.352 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870841 659385903 /nfs/dbraw/zinc/38/59/03/659385903.db2.gz LKQNWAVNWVAJFR-APIJFGDWSA-N 2 2 382.448 1.197 20 0 GDADLP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]21 ZINC000903870841 659385910 /nfs/dbraw/zinc/38/59/10/659385910.db2.gz LKQNWAVNWVAJFR-APIJFGDWSA-N 2 2 382.448 1.197 20 0 GDADLP O=C(c1nc(Br)cs1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905294847 659441721 /nfs/dbraw/zinc/44/17/21/659441721.db2.gz KRBGEPKUFTXVHP-TXEJJXNPSA-N 2 2 385.331 1.946 20 0 GDADLP O=C(c1nc(Br)cs1)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000905294847 659441723 /nfs/dbraw/zinc/44/17/23/659441723.db2.gz KRBGEPKUFTXVHP-TXEJJXNPSA-N 2 2 385.331 1.946 20 0 GDADLP [NH3+][C@@H]1[C@H]2CN(c3ncccc3C(=O)N3CC[NH+](Cc4ccccc4)CC3)C[C@H]21 ZINC001164441047 718985132 /nfs/dbraw/zinc/98/51/32/718985132.db2.gz UWYXLCZUYZJODW-PMOLBWCYSA-N 2 2 377.492 1.433 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)n1 ZINC001164746086 720807997 /nfs/dbraw/zinc/80/79/97/720807997.db2.gz LTUIBCJXGXODTD-CEXWTWQISA-N 2 2 396.543 1.904 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CC[C@@H]3[C@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)n1 ZINC001164746086 720807998 /nfs/dbraw/zinc/80/79/98/720807998.db2.gz LTUIBCJXGXODTD-CEXWTWQISA-N 2 2 396.543 1.904 20 0 GDADLP Cn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)CCC[C@@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886702 721391753 /nfs/dbraw/zinc/39/17/53/721391753.db2.gz FMXUZFIABQLNPG-UWJYYQICSA-N 2 2 384.528 1.734 20 0 GDADLP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)n2)CC1 ZINC001164782086 721432226 /nfs/dbraw/zinc/43/22/26/721432226.db2.gz FXPMSOMKMDSUAN-HOTGVXAUSA-N 2 2 385.541 1.253 20 0 GDADLP C[NH+](C)Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915633 721797601 /nfs/dbraw/zinc/79/76/01/721797601.db2.gz XCLVTQFGNKYFOL-QFIPXVFZSA-N 2 2 397.523 1.646 20 0 GDADLP C[NH+](C)Cc1ccnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915633 721797602 /nfs/dbraw/zinc/79/76/02/721797602.db2.gz XCLVTQFGNKYFOL-QFIPXVFZSA-N 2 2 397.523 1.646 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282965 945869462 /nfs/dbraw/zinc/86/94/62/945869462.db2.gz WSFNOFHYBASKET-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282965 945869471 /nfs/dbraw/zinc/86/94/71/945869471.db2.gz WSFNOFHYBASKET-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282965 945869482 /nfs/dbraw/zinc/86/94/82/945869482.db2.gz WSFNOFHYBASKET-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282965 945869502 /nfs/dbraw/zinc/86/95/02/945869502.db2.gz WSFNOFHYBASKET-CZUORRHYSA-N 2 2 387.463 1.038 20 0 GDADLP CC(C)COC[C@H](O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824272086 946641145 /nfs/dbraw/zinc/64/11/45/946641145.db2.gz TXHSJHTWZGLBMZ-LJQANCHMSA-N 2 2 388.516 1.454 20 0 GDADLP C[C@H]1CN(CC[NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CCO1 ZINC000824984669 947021817 /nfs/dbraw/zinc/02/18/17/947021817.db2.gz LZDUYOSXSPTKJM-INIZCTEOSA-N 2 2 385.516 1.141 20 0 GDADLP CSC[C@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228674 947670286 /nfs/dbraw/zinc/67/02/86/947670286.db2.gz XBNAQDKSZUIKOI-KRWDZBQOSA-N 2 2 376.530 1.535 20 0 GDADLP NC(=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826390162 948198622 /nfs/dbraw/zinc/19/86/22/948198622.db2.gz RJCJTWUUZCOPBX-AEFFLSMTSA-N 2 2 383.500 1.465 20 0 GDADLP C[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926440 949004283 /nfs/dbraw/zinc/00/42/83/949004283.db2.gz QIZSWIISDHKIQD-CYBMUJFWSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](CNC(=O)C[N@@H+](C)C1CCC1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926440 949004295 /nfs/dbraw/zinc/00/42/95/949004295.db2.gz QIZSWIISDHKIQD-CYBMUJFWSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926440 949004308 /nfs/dbraw/zinc/00/43/08/949004308.db2.gz QIZSWIISDHKIQD-CYBMUJFWSA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](CNC(=O)C[NH+](C)C1CCC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574926440 949004318 /nfs/dbraw/zinc/00/43/18/949004318.db2.gz QIZSWIISDHKIQD-CYBMUJFWSA-N 2 2 389.479 1.427 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001573812253 949619169 /nfs/dbraw/zinc/61/91/69/949619169.db2.gz RCGWEVJSCFPFBR-INIZCTEOSA-N 2 2 382.472 1.384 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001573813500 949633099 /nfs/dbraw/zinc/63/30/99/949633099.db2.gz YZZMUUQAQZJOOF-OAHLLOKOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491178 950025621 /nfs/dbraw/zinc/02/56/21/950025621.db2.gz ANRPWNIVJLLMFF-GOEBONIOSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574491178 950025638 /nfs/dbraw/zinc/02/56/38/950025638.db2.gz ANRPWNIVJLLMFF-GOEBONIOSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574493891 950143011 /nfs/dbraw/zinc/14/30/11/950143011.db2.gz VDZHMQUXHPNERI-ACJLOTCBSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574502130 950359355 /nfs/dbraw/zinc/35/93/55/950359355.db2.gz JGINGHXYIXFSLR-KGLIPLIRSA-N 2 2 381.444 1.052 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202543 950431076 /nfs/dbraw/zinc/43/10/76/950431076.db2.gz ARANINPFCKVHDI-AWEZNQCLSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC2(C)CCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202543 950431102 /nfs/dbraw/zinc/43/11/02/950431102.db2.gz ARANINPFCKVHDI-AWEZNQCLSA-N 2 2 384.488 1.079 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205569 950522217 /nfs/dbraw/zinc/52/22/17/950522217.db2.gz KANGEBJFXRLJTN-QGZVFWFLSA-N 2 2 383.500 1.289 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205569 950522234 /nfs/dbraw/zinc/52/22/34/950522234.db2.gz KANGEBJFXRLJTN-QGZVFWFLSA-N 2 2 383.500 1.289 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575200848 952499405 /nfs/dbraw/zinc/49/94/05/952499405.db2.gz LXWDRZKCLWMOEP-RCBQFDQVSA-N 2 2 380.456 1.205 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167255 952772459 /nfs/dbraw/zinc/77/24/59/952772459.db2.gz ZWDIFGOXTREFPU-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167255 952772463 /nfs/dbraw/zinc/77/24/63/952772463.db2.gz ZWDIFGOXTREFPU-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001571169850 952779225 /nfs/dbraw/zinc/77/92/25/952779225.db2.gz PEEWPEDENQSWTM-KRWDZBQOSA-N 2 2 380.456 1.255 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001571169850 952779230 /nfs/dbraw/zinc/77/92/30/952779230.db2.gz PEEWPEDENQSWTM-KRWDZBQOSA-N 2 2 380.456 1.255 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001571169851 952779393 /nfs/dbraw/zinc/77/93/93/952779393.db2.gz PEEWPEDENQSWTM-QGZVFWFLSA-N 2 2 380.456 1.255 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)[C@@H]1CCCN(C(=O)Cc2c[nH+]c[nH]2)C1 ZINC001571169851 952779397 /nfs/dbraw/zinc/77/93/97/952779397.db2.gz PEEWPEDENQSWTM-QGZVFWFLSA-N 2 2 380.456 1.255 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000175233689 530661156 /nfs/dbraw/zinc/66/11/56/530661156.db2.gz DBYXFPPONBALPF-ZWKOTPCHSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000175233689 530661158 /nfs/dbraw/zinc/66/11/58/530661158.db2.gz DBYXFPPONBALPF-ZWKOTPCHSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000175233689 530661163 /nfs/dbraw/zinc/66/11/63/530661163.db2.gz DBYXFPPONBALPF-ZWKOTPCHSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000175233689 530661164 /nfs/dbraw/zinc/66/11/64/530661164.db2.gz DBYXFPPONBALPF-ZWKOTPCHSA-N 2 2 375.579 1.529 20 0 GDADLP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237755841 531049158 /nfs/dbraw/zinc/04/91/58/531049158.db2.gz CVOPHCLSUUYWCJ-INIZCTEOSA-N 2 2 383.945 1.958 20 0 GDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@H]12 ZINC000261719403 531097051 /nfs/dbraw/zinc/09/70/51/531097051.db2.gz KAGJXZSNLBGCDL-LEWSCRJBSA-N 2 2 385.249 1.899 20 0 GDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@H]12 ZINC000261719403 531097054 /nfs/dbraw/zinc/09/70/54/531097054.db2.gz KAGJXZSNLBGCDL-LEWSCRJBSA-N 2 2 385.249 1.899 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cccc(I)c1 ZINC000261773927 531098530 /nfs/dbraw/zinc/09/85/30/531098530.db2.gz OWBCRIISAASYDN-NEPJUHHUSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cccc(I)c1 ZINC000261773927 531098535 /nfs/dbraw/zinc/09/85/35/531098535.db2.gz OWBCRIISAASYDN-NEPJUHHUSA-N 2 2 385.249 1.771 20 0 GDADLP CC(C)(C(N)=O)[NH+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261823900 531099772 /nfs/dbraw/zinc/09/97/72/531099772.db2.gz SWVQGBHYBUDORD-QGZVFWFLSA-N 2 2 397.317 1.031 20 0 GDADLP CS[C@H]1CN(S(=O)(=O)c2ccccc2Cn2cc[nH+]c2)C[C@@H]1[NH+](C)C ZINC000443053657 531384186 /nfs/dbraw/zinc/38/41/86/531384186.db2.gz VHWNRLZUWSPFCD-HOTGVXAUSA-N 2 2 380.539 1.598 20 0 GDADLP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[C@@H](C)C[NH2+]1 ZINC000415576567 531496506 /nfs/dbraw/zinc/49/65/06/531496506.db2.gz YHRHRQUKWQFFKW-RYUDHWBXSA-N 2 2 397.317 1.658 20 0 GDADLP O=C(NCC12CC(C1)C[NH2+]2)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000659016662 531536887 /nfs/dbraw/zinc/53/68/87/531536887.db2.gz KSZRTMYIXADENS-UHFFFAOYSA-N 2 2 396.289 1.554 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@]3(C)CC[NH2+]C3)[nH+]c12 ZINC000612903109 531560734 /nfs/dbraw/zinc/56/07/34/531560734.db2.gz IWCKVLHWXHPQQM-INIZCTEOSA-N 2 2 380.290 1.999 20 0 GDADLP Cn1cc(C[NH+]2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)cn1 ZINC000662447875 531680608 /nfs/dbraw/zinc/68/06/08/531680608.db2.gz BRAKJMCCJAGNRT-MRXNPFEDSA-N 2 2 392.301 1.527 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418021248 531799144 /nfs/dbraw/zinc/79/91/44/531799144.db2.gz PDBFVCDOIIEASV-LBPRGKRZSA-N 2 2 380.290 1.938 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000563606737 531856186 /nfs/dbraw/zinc/85/61/86/531856186.db2.gz TXSPHQULPQLYRY-CYBMUJFWSA-N 2 2 389.725 1.929 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000563592606 531856539 /nfs/dbraw/zinc/85/65/39/531856539.db2.gz BWEMNPONARMSEA-WCQYABFASA-N 2 2 385.331 1.880 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CSc3ccc(Br)cc32)[C@@H](C[NH3+])C1 ZINC000563592606 531856544 /nfs/dbraw/zinc/85/65/44/531856544.db2.gz BWEMNPONARMSEA-WCQYABFASA-N 2 2 385.331 1.880 20 0 GDADLP CN(C)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)[nH+]cc1Br ZINC000456572141 531920941 /nfs/dbraw/zinc/92/09/41/531920941.db2.gz ADHIXVRFYUNAKO-LLVKDONJSA-N 2 2 398.305 1.259 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573132718 531976412 /nfs/dbraw/zinc/97/64/12/531976412.db2.gz HENWQRTYSVCOTC-AWEZNQCLSA-N 2 2 381.274 1.734 20 0 GDADLP Cc1nn(C)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C(F)F ZINC000657072241 531996766 /nfs/dbraw/zinc/99/67/66/531996766.db2.gz YIBNRRNVZXDCTP-NSHDSACASA-N 2 2 381.493 1.216 20 0 GDADLP Cc1nn(C)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C(F)F ZINC000657072241 531996772 /nfs/dbraw/zinc/99/67/72/531996772.db2.gz YIBNRRNVZXDCTP-NSHDSACASA-N 2 2 381.493 1.216 20 0 GDADLP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000420123372 532004375 /nfs/dbraw/zinc/00/43/75/532004375.db2.gz NKWYZFYJIJTAFG-GFCCVEGCSA-N 2 2 396.289 1.347 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000316358003 532061608 /nfs/dbraw/zinc/06/16/08/532061608.db2.gz GAIGDBGYDTTYEW-UHFFFAOYSA-N 2 2 389.725 1.878 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(Br)cc1Cl ZINC000316358003 532061614 /nfs/dbraw/zinc/06/16/14/532061614.db2.gz GAIGDBGYDTTYEW-UHFFFAOYSA-N 2 2 389.725 1.878 20 0 GDADLP C[C@H]1C[C@@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333243213 532227035 /nfs/dbraw/zinc/22/70/35/532227035.db2.gz BISIHCNYNILITH-RYUDHWBXSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[C@@H]1[NH3+] ZINC000333390190 532232015 /nfs/dbraw/zinc/23/20/15/532232015.db2.gz XILXDMAIGNKGAA-YPMHNXCESA-N 2 2 398.305 1.882 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[NH+]1CCC([NH3+])CC1 ZINC000429733045 532232901 /nfs/dbraw/zinc/23/29/01/532232901.db2.gz ATSUXTBBBOOGKM-UHFFFAOYSA-N 2 2 397.317 1.578 20 0 GDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632363 532252880 /nfs/dbraw/zinc/25/28/80/532252880.db2.gz XDECQKJXKPOOLP-GFCCVEGCSA-N 2 2 383.290 1.140 20 0 GDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430632363 532252886 /nfs/dbraw/zinc/25/28/86/532252886.db2.gz XDECQKJXKPOOLP-GFCCVEGCSA-N 2 2 383.290 1.140 20 0 GDADLP CN(c1ncc(-c2nn[nH]n2)cc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853301 598942362 /nfs/dbraw/zinc/94/23/62/598942362.db2.gz VJQMPSJMUYXUQS-CQSZACIVSA-N 2 2 376.896 1.520 20 0 GDADLP CN(c1ncc(-c2nn[nH]n2)cc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853301 598942363 /nfs/dbraw/zinc/94/23/63/598942363.db2.gz VJQMPSJMUYXUQS-CQSZACIVSA-N 2 2 376.896 1.520 20 0 GDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395636 599011219 /nfs/dbraw/zinc/01/12/19/599011219.db2.gz XQPGLRUBZKMINK-WOJBJXKFSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738395636 599011220 /nfs/dbraw/zinc/01/12/20/599011220.db2.gz XQPGLRUBZKMINK-WOJBJXKFSA-N 2 2 378.480 1.839 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000822333078 599051421 /nfs/dbraw/zinc/05/14/21/599051421.db2.gz VVBRIHFNMQQMQN-HNNXBMFYSA-N 2 2 379.468 1.882 20 0 GDADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000735559613 598523145 /nfs/dbraw/zinc/52/31/45/598523145.db2.gz MILXCWUKJJIBID-OAHLLOKOSA-N 2 2 399.499 1.238 20 0 GDADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289092 598620344 /nfs/dbraw/zinc/62/03/44/598620344.db2.gz GJRRJUROYCPBQM-KRWDZBQOSA-N 2 2 378.440 1.506 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330799 607639141 /nfs/dbraw/zinc/63/91/41/607639141.db2.gz IPWVPWVWNPBVTM-HIFRSBDPSA-N 2 2 398.496 1.703 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330799 607639143 /nfs/dbraw/zinc/63/91/43/607639143.db2.gz IPWVPWVWNPBVTM-HIFRSBDPSA-N 2 2 398.496 1.703 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826341662 607639386 /nfs/dbraw/zinc/63/93/86/607639386.db2.gz MZKOTMHUPKFTGQ-CQSZACIVSA-N 2 2 384.444 1.685 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826341662 607639387 /nfs/dbraw/zinc/63/93/87/607639387.db2.gz MZKOTMHUPKFTGQ-CQSZACIVSA-N 2 2 384.444 1.685 20 0 GDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000824909856 608654245 /nfs/dbraw/zinc/65/42/45/608654245.db2.gz VKQGODRSHZGOCN-HUUCEWRRSA-N 2 2 375.546 1.919 20 0 GDADLP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@@H](C)C1 ZINC000329190914 645301900 /nfs/dbraw/zinc/30/19/00/645301900.db2.gz RZPMAIHGIYKXRW-GOEBONIOSA-N 2 2 387.571 1.589 20 0 GDADLP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@@H](C)C1 ZINC000329190914 645301907 /nfs/dbraw/zinc/30/19/07/645301907.db2.gz RZPMAIHGIYKXRW-GOEBONIOSA-N 2 2 387.571 1.589 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000422014802 646032894 /nfs/dbraw/zinc/03/28/94/646032894.db2.gz ZUQPWJAWCACFNB-UHFFFAOYSA-N 2 2 398.349 1.664 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)Cn3cc(Br)cn3)CC2)CC1 ZINC000422014802 646032900 /nfs/dbraw/zinc/03/29/00/646032900.db2.gz ZUQPWJAWCACFNB-UHFFFAOYSA-N 2 2 398.349 1.664 20 0 GDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000574513545 651548229 /nfs/dbraw/zinc/54/82/29/651548229.db2.gz TZEXKBZJMSLVFD-ABAIWWIYSA-N 2 2 388.281 1.220 20 0 GDADLP Cc1ncc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000576615657 651676765 /nfs/dbraw/zinc/67/67/65/651676765.db2.gz YJUYPLYHLZLTEG-UHFFFAOYSA-N 2 2 380.539 1.723 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577228496 651717421 /nfs/dbraw/zinc/71/74/21/651717421.db2.gz VJBHQGOMMRZYPU-PWSUYJOCSA-N 2 2 399.314 1.959 20 0 GDADLP O=C([C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1)N1CC[NH2+]CC1 ZINC000580773884 651938281 /nfs/dbraw/zinc/93/82/81/651938281.db2.gz LXHUVHJOBGSLPA-AWEZNQCLSA-N 2 2 382.302 1.799 20 0 GDADLP O=C([C@H]1CCC[N@H+](Cc2cccc(O)c2Br)C1)N1CC[NH2+]CC1 ZINC000580773884 651938283 /nfs/dbraw/zinc/93/82/83/651938283.db2.gz LXHUVHJOBGSLPA-AWEZNQCLSA-N 2 2 382.302 1.799 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000602466773 652638082 /nfs/dbraw/zinc/63/80/82/652638082.db2.gz WVRWRBYINIFKIB-MRXNPFEDSA-N 2 2 393.333 1.704 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000602466773 652638085 /nfs/dbraw/zinc/63/80/85/652638085.db2.gz WVRWRBYINIFKIB-MRXNPFEDSA-N 2 2 393.333 1.704 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Br)cn1 ZINC000631276801 653233438 /nfs/dbraw/zinc/23/34/38/653233438.db2.gz SPGVYMSBSFXZBI-UHFFFAOYSA-N 2 2 399.333 1.707 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)COc1ccc(Br)cn1 ZINC000631276801 653233442 /nfs/dbraw/zinc/23/34/42/653233442.db2.gz SPGVYMSBSFXZBI-UHFFFAOYSA-N 2 2 399.333 1.707 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)CCn3cc(Br)cn3)c2)CC1 ZINC000634194197 653488181 /nfs/dbraw/zinc/48/81/81/653488181.db2.gz GSNUZMDYIGJPPX-UHFFFAOYSA-N 2 2 393.289 1.821 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634722398 653497488 /nfs/dbraw/zinc/49/74/88/653497488.db2.gz OJAJXSNEBGOQOM-ZBFHGGJFSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000634722398 653497491 /nfs/dbraw/zinc/49/74/91/653497491.db2.gz OJAJXSNEBGOQOM-ZBFHGGJFSA-N 2 2 390.311 1.663 20 0 GDADLP COc1cc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788216269 654986843 /nfs/dbraw/zinc/98/68/43/654986843.db2.gz QAJUCNRYUJBDNQ-CYBMUJFWSA-N 2 2 397.317 1.751 20 0 GDADLP COc1cc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cnc1Br ZINC000788216269 654986846 /nfs/dbraw/zinc/98/68/46/654986846.db2.gz QAJUCNRYUJBDNQ-CYBMUJFWSA-N 2 2 397.317 1.751 20 0 GDADLP CN(C(=O)c1cnn(C)c1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000760371527 655110308 /nfs/dbraw/zinc/11/03/08/655110308.db2.gz ABHAYDSAEJNCMX-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cnn(C)c1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000760371527 655110310 /nfs/dbraw/zinc/11/03/10/655110310.db2.gz ABHAYDSAEJNCMX-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP O[C@H](C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000819076478 655384685 /nfs/dbraw/zinc/38/46/85/655384685.db2.gz CWEPDTPDFVXECJ-QZTJIDSGSA-N 2 2 398.345 1.479 20 0 GDADLP C[NH+](C)Cc1cnc(C[NH2+]CCNC(=O)c2ccc(Br)cn2)s1 ZINC000850351496 655552688 /nfs/dbraw/zinc/55/26/88/655552688.db2.gz OIYYIKLLIWKSMT-UHFFFAOYSA-N 2 2 398.330 1.882 20 0 GDADLP Ic1cnnn1C1CC[NH+](CCCn2cc[nH+]c2)CC1 ZINC000852532129 655617179 /nfs/dbraw/zinc/61/71/79/655617179.db2.gz DFGIXAUCQYTIAB-UHFFFAOYSA-N 2 2 386.241 1.806 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cn2ccnc12 ZINC000869244692 656188205 /nfs/dbraw/zinc/18/82/05/656188205.db2.gz ZBNVOIREMNJAPC-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cn2ccnc12 ZINC000869244692 656188208 /nfs/dbraw/zinc/18/82/08/656188208.db2.gz ZBNVOIREMNJAPC-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)N1CC[NH+](C)CC1 ZINC000870896081 656253952 /nfs/dbraw/zinc/25/39/52/656253952.db2.gz FYDRRUSUDIMFEP-IRXDYDNUSA-N 2 2 397.361 1.837 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H]1C ZINC000923421555 656551833 /nfs/dbraw/zinc/55/18/33/656551833.db2.gz CSSQUNRABMSQDZ-QXSJWSMHSA-N 2 2 375.579 1.436 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H]1C ZINC000923421555 656551835 /nfs/dbraw/zinc/55/18/35/656551835.db2.gz CSSQUNRABMSQDZ-QXSJWSMHSA-N 2 2 375.579 1.436 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)N=[S@](C)(=O)C1CCCCC1 ZINC000881860072 656974501 /nfs/dbraw/zinc/97/45/01/656974501.db2.gz MCCTUQLCVPRHBF-HSZRJFAPSA-N 2 2 382.596 1.087 20 0 GDADLP Cn1c(Cl)nc(Cl)c1C[NH2+][C@@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372298 657284077 /nfs/dbraw/zinc/28/40/77/657284077.db2.gz VSFQBKGXAVIPRW-CYBMUJFWSA-N 2 2 376.332 1.613 20 0 GDADLP CN(C(=O)c1cn(C)nc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000896990070 658816976 /nfs/dbraw/zinc/81/69/76/658816976.db2.gz ZEHXKPDNAQTGFD-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cn(C)nc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000896990070 658816987 /nfs/dbraw/zinc/81/69/87/658816987.db2.gz ZEHXKPDNAQTGFD-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cc(OC)ccc43)C2)C1 ZINC001164720143 720226510 /nfs/dbraw/zinc/22/65/10/720226510.db2.gz WJUDROQCEORFKH-QFIPXVFZSA-N 2 2 398.507 1.908 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(c3[nH+]ccc4cc(OC)ccc43)C2)C1 ZINC001164720143 720226519 /nfs/dbraw/zinc/22/65/19/720226519.db2.gz WJUDROQCEORFKH-QFIPXVFZSA-N 2 2 398.507 1.908 20 0 GDADLP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164910307 721543305 /nfs/dbraw/zinc/54/33/05/721543305.db2.gz UCRNAZRLQSHNGY-IEBWSBKVSA-N 2 2 399.470 1.794 20 0 GDADLP Fc1cccc(O[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164910307 721543309 /nfs/dbraw/zinc/54/33/09/721543309.db2.gz UCRNAZRLQSHNGY-IEBWSBKVSA-N 2 2 399.470 1.794 20 0 GDADLP Cc1cnc(N2CCO[C@@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C[NH3+])c1 ZINC001164916752 721791015 /nfs/dbraw/zinc/79/10/15/721791015.db2.gz TVYZBLKMTSATQK-NRFANRHFSA-N 2 2 383.496 1.352 20 0 GDADLP Cc1cnc(N2CCO[C@@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C[NH3+])c1 ZINC001164916752 721791017 /nfs/dbraw/zinc/79/10/17/721791017.db2.gz TVYZBLKMTSATQK-NRFANRHFSA-N 2 2 383.496 1.352 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000822335882 946058746 /nfs/dbraw/zinc/05/87/46/946058746.db2.gz NBSPVRAVTUWUMH-INIZCTEOSA-N 2 2 392.511 1.940 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000822335882 946058764 /nfs/dbraw/zinc/05/87/64/946058764.db2.gz NBSPVRAVTUWUMH-INIZCTEOSA-N 2 2 392.511 1.940 20 0 GDADLP CC[C@@H](C(=O)N1CCC[N@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571294167 946128490 /nfs/dbraw/zinc/12/84/90/946128490.db2.gz BXTPMOJSUYAGNR-KRWDZBQOSA-N 2 2 389.479 1.380 20 0 GDADLP CC[C@@H](C(=O)N1CCC[N@@H+](Cc2cc(-c3nn[nH]n3)ccc2F)CC1)[NH+](C)C ZINC001571294167 946128492 /nfs/dbraw/zinc/12/84/92/946128492.db2.gz BXTPMOJSUYAGNR-KRWDZBQOSA-N 2 2 389.479 1.380 20 0 GDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295058 946152100 /nfs/dbraw/zinc/15/21/00/946152100.db2.gz OGEXBMQMTDYDBA-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295058 946152112 /nfs/dbraw/zinc/15/21/12/946152112.db2.gz OGEXBMQMTDYDBA-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295058 946152120 /nfs/dbraw/zinc/15/21/20/946152120.db2.gz OGEXBMQMTDYDBA-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295058 946152127 /nfs/dbraw/zinc/15/21/27/946152127.db2.gz OGEXBMQMTDYDBA-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000823972417 946530107 /nfs/dbraw/zinc/53/01/07/946530107.db2.gz ANPZAUHZQPGBPD-MGPUTAFESA-N 2 2 397.527 1.678 20 0 GDADLP CCNC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825470362 947197937 /nfs/dbraw/zinc/19/79/37/947197937.db2.gz CABHKYNEFAOKEX-SFHVURJKSA-N 2 2 398.515 1.225 20 0 GDADLP C[N@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825938925 947377830 /nfs/dbraw/zinc/37/78/30/947377830.db2.gz ZDYUGSUASMKRPJ-QGZVFWFLSA-N 2 2 380.456 1.581 20 0 GDADLP C[N@@H+](CCCn1cc[nH+]c1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000825938925 947377841 /nfs/dbraw/zinc/37/78/41/947377841.db2.gz ZDYUGSUASMKRPJ-QGZVFWFLSA-N 2 2 380.456 1.581 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033352 947408530 /nfs/dbraw/zinc/40/85/30/947408530.db2.gz ATRSNGOFCHCIDU-NEWSRXKRSA-N 2 2 395.511 1.778 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033352 947408539 /nfs/dbraw/zinc/40/85/39/947408539.db2.gz ATRSNGOFCHCIDU-NEWSRXKRSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033352 947408550 /nfs/dbraw/zinc/40/85/50/947408550.db2.gz ATRSNGOFCHCIDU-NEWSRXKRSA-N 2 2 395.511 1.778 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@@H]21 ZINC000826033352 947408559 /nfs/dbraw/zinc/40/85/59/947408559.db2.gz ATRSNGOFCHCIDU-NEWSRXKRSA-N 2 2 395.511 1.778 20 0 GDADLP O=C(CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCCCC1 ZINC000826407477 948239409 /nfs/dbraw/zinc/23/94/09/948239409.db2.gz ODLQFONJTWJQLE-UHFFFAOYSA-N 2 2 397.527 1.823 20 0 GDADLP C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001573755407 948762809 /nfs/dbraw/zinc/76/28/09/948762809.db2.gz DGLRCNZRJWRFJQ-UPJWGTAASA-N 2 2 389.891 1.731 20 0 GDADLP C[C@H](C(=O)Nc1ccc(-c2nn[nH]n2)c(Cl)c1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001573755407 948762814 /nfs/dbraw/zinc/76/28/14/948762814.db2.gz DGLRCNZRJWRFJQ-UPJWGTAASA-N 2 2 389.891 1.731 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918521 948850221 /nfs/dbraw/zinc/85/02/21/948850221.db2.gz MGJUPOBXUIIEAC-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574918521 948850248 /nfs/dbraw/zinc/85/02/48/948850248.db2.gz MGJUPOBXUIIEAC-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920043 948880671 /nfs/dbraw/zinc/88/06/71/948880671.db2.gz AULDTIHAIAPAEM-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920043 948880689 /nfs/dbraw/zinc/88/06/89/948880689.db2.gz AULDTIHAIAPAEM-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921497 948926439 /nfs/dbraw/zinc/92/64/39/948926439.db2.gz YWYLPRRMZHMVEV-GFCCVEGCSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001574921497 948926448 /nfs/dbraw/zinc/92/64/48/948926448.db2.gz YWYLPRRMZHMVEV-GFCCVEGCSA-N 2 2 388.501 1.231 20 0 GDADLP C[C@H](CC(=O)N(C)CC[N@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574475792 949578810 /nfs/dbraw/zinc/57/88/10/949578810.db2.gz BYAYRMVHRUDZQF-OAHLLOKOSA-N 2 2 382.472 1.605 20 0 GDADLP C[C@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574475792 949578819 /nfs/dbraw/zinc/57/88/19/949578819.db2.gz BYAYRMVHRUDZQF-OAHLLOKOSA-N 2 2 382.472 1.605 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001573813214 949631433 /nfs/dbraw/zinc/63/14/33/949631433.db2.gz XCTHNQPLMYMNNV-MRXNPFEDSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575286050 949970753 /nfs/dbraw/zinc/97/07/53/949970753.db2.gz SQFLMBWEMWYFPU-LBPRGKRZSA-N 2 2 386.485 1.152 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193365 950294770 /nfs/dbraw/zinc/29/47/70/950294770.db2.gz UBWUZPOQRNJAKB-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193365 950294792 /nfs/dbraw/zinc/29/47/92/950294792.db2.gz UBWUZPOQRNJAKB-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193365 950294806 /nfs/dbraw/zinc/29/48/06/950294806.db2.gz UBWUZPOQRNJAKB-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193365 950294821 /nfs/dbraw/zinc/29/48/21/950294821.db2.gz UBWUZPOQRNJAKB-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502221 950362586 /nfs/dbraw/zinc/36/25/86/950362586.db2.gz KOWNYIFIDOIZHG-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502221 950362608 /nfs/dbraw/zinc/36/26/08/950362608.db2.gz KOWNYIFIDOIZHG-PBHICJAKSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202577 950430888 /nfs/dbraw/zinc/43/08/88/950430888.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202577 950430912 /nfs/dbraw/zinc/43/09/12/950430912.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202577 950430924 /nfs/dbraw/zinc/43/09/24/950430924.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576202577 950430939 /nfs/dbraw/zinc/43/09/39/950430939.db2.gz BIKLLGZBRWFYCQ-RDBSUJKOSA-N 2 2 387.513 1.055 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001575915856 950526340 /nfs/dbraw/zinc/52/63/40/950526340.db2.gz XQGATNBKLSXDPV-DYVFJYSZSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206630 950576083 /nfs/dbraw/zinc/57/60/83/950576083.db2.gz YLONIRSNWWTGCU-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206630 950576095 /nfs/dbraw/zinc/57/60/95/950576095.db2.gz YLONIRSNWWTGCU-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206630 950576113 /nfs/dbraw/zinc/57/61/13/950576113.db2.gz YLONIRSNWWTGCU-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206630 950576130 /nfs/dbraw/zinc/57/61/30/950576130.db2.gz YLONIRSNWWTGCU-KBPBESRZSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)CCn1cc[nH+]c1 ZINC001574520961 950763035 /nfs/dbraw/zinc/76/30/35/950763035.db2.gz BRFYSXCUWMFEOW-GJZGRUSLSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574524133 950843826 /nfs/dbraw/zinc/84/38/26/950843826.db2.gz UCKZVPIZIBWWKF-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](CC(=O)NC[C@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001575098102 951818987 /nfs/dbraw/zinc/81/89/87/951818987.db2.gz ARIYCMRKTCZFNR-CHWSQXEVSA-N 2 2 388.501 1.618 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202265 952511706 /nfs/dbraw/zinc/51/17/06/952511706.db2.gz UZXQCGVENKTPCB-VBNZEHGJSA-N 2 2 380.456 1.205 20 0 GDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169869 952779627 /nfs/dbraw/zinc/77/96/27/952779627.db2.gz PNXOBGLUHXDNAH-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1c[nH+]cn1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571169869 952779630 /nfs/dbraw/zinc/77/96/30/952779630.db2.gz PNXOBGLUHXDNAH-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000175141307 530659397 /nfs/dbraw/zinc/65/93/97/530659397.db2.gz ZAXWRAMZVOVXRB-GOSISDBHSA-N 2 2 375.579 1.386 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000175141307 530659399 /nfs/dbraw/zinc/65/93/99/530659399.db2.gz ZAXWRAMZVOVXRB-GOSISDBHSA-N 2 2 375.579 1.386 20 0 GDADLP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1)c1cncs1 ZINC000127778153 531034215 /nfs/dbraw/zinc/03/42/15/531034215.db2.gz ZEIOKMZBGQRFKR-AWEZNQCLSA-N 2 2 380.539 1.930 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000261884249 531101164 /nfs/dbraw/zinc/10/11/64/531101164.db2.gz UMGPQAASOYKXFJ-KDOFPFPSSA-N 2 2 396.329 1.804 20 0 GDADLP CCC[NH+]1CCC([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000152134962 531146995 /nfs/dbraw/zinc/14/69/95/531146995.db2.gz KQRNSWNUSPKBDQ-UHFFFAOYSA-N 2 2 387.571 1.733 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000521319578 531243087 /nfs/dbraw/zinc/24/30/87/531243087.db2.gz BNPDYHKHFXQAED-INIZCTEOSA-N 2 2 388.603 1.298 20 0 GDADLP CC[NH+](CC)CCS(=O)(=O)NC[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000521319579 531243336 /nfs/dbraw/zinc/24/33/36/531243336.db2.gz BNPDYHKHFXQAED-MRXNPFEDSA-N 2 2 388.603 1.298 20 0 GDADLP CNC(=O)NC(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411720763 531335769 /nfs/dbraw/zinc/33/57/69/531335769.db2.gz NSPNPGTXNQFUKF-UHFFFAOYSA-N 2 2 398.261 1.587 20 0 GDADLP CNC(=O)NC(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000411720763 531335773 /nfs/dbraw/zinc/33/57/73/531335773.db2.gz NSPNPGTXNQFUKF-UHFFFAOYSA-N 2 2 398.261 1.587 20 0 GDADLP COC(=O)C[C@@H]1CSCC[NH+]1CCC[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000489289800 531496545 /nfs/dbraw/zinc/49/65/45/531496545.db2.gz KFYPJCCXGYOMHM-GASCZTMLSA-N 2 2 390.571 1.338 20 0 GDADLP COC(=O)C[C@@H]1CSCC[NH+]1CCC[N@@H+]1CCSC[C@@H]1CC(=O)OC ZINC000489289800 531496549 /nfs/dbraw/zinc/49/65/49/531496549.db2.gz KFYPJCCXGYOMHM-GASCZTMLSA-N 2 2 390.571 1.338 20 0 GDADLP COC(=O)C[C@@H]1CSCC[N@H+]1CCC[NH+]1CCSC[C@@H]1CC(=O)OC ZINC000489289800 531496553 /nfs/dbraw/zinc/49/65/53/531496553.db2.gz KFYPJCCXGYOMHM-GASCZTMLSA-N 2 2 390.571 1.338 20 0 GDADLP COC(=O)C[C@@H]1CSCC[N@@H+]1CCC[NH+]1CCSC[C@@H]1CC(=O)OC ZINC000489289800 531496558 /nfs/dbraw/zinc/49/65/58/531496558.db2.gz KFYPJCCXGYOMHM-GASCZTMLSA-N 2 2 390.571 1.338 20 0 GDADLP C[C@H]([NH2+]C[C@H]1CCC[N@@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435149 531497733 /nfs/dbraw/zinc/49/77/33/531497733.db2.gz BOKKWVBNZPFUTO-CMPLNLGQSA-N 2 2 376.320 1.841 20 0 GDADLP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000280435149 531497741 /nfs/dbraw/zinc/49/77/41/531497741.db2.gz BOKKWVBNZPFUTO-CMPLNLGQSA-N 2 2 376.320 1.841 20 0 GDADLP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(Br)s2)CC1 ZINC000294914956 531507839 /nfs/dbraw/zinc/50/78/39/531507839.db2.gz JHQIPTMMHJLMHH-UHFFFAOYSA-N 2 2 375.336 1.795 20 0 GDADLP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280773891 531538495 /nfs/dbraw/zinc/53/84/95/531538495.db2.gz GIVVETRKLIEBJU-HOCLYGCPSA-N 2 2 389.949 1.746 20 0 GDADLP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867995 531551787 /nfs/dbraw/zinc/55/17/87/531551787.db2.gz NMIVQDLWFQGYEL-ZBFHGGJFSA-N 2 2 388.965 1.535 20 0 GDADLP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)CCN1C)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000280867995 531551795 /nfs/dbraw/zinc/55/17/95/531551795.db2.gz NMIVQDLWFQGYEL-ZBFHGGJFSA-N 2 2 388.965 1.535 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662351034 531673740 /nfs/dbraw/zinc/67/37/40/531673740.db2.gz HTUNZBUZXABYSY-XJKSGUPXSA-N 2 2 384.318 1.922 20 0 GDADLP CC(C)C[N@H+]1CCO[C@@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662351034 531673746 /nfs/dbraw/zinc/67/37/46/531673746.db2.gz HTUNZBUZXABYSY-XJKSGUPXSA-N 2 2 384.318 1.922 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000561159724 531683375 /nfs/dbraw/zinc/68/33/75/531683375.db2.gz YNMAUTDJODKMAG-KBPBESRZSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000561159724 531683379 /nfs/dbraw/zinc/68/33/79/531683379.db2.gz YNMAUTDJODKMAG-KBPBESRZSA-N 2 2 396.333 1.312 20 0 GDADLP OC[C@H]1CSCC[NH+]1CC(C[N@H+]1CCSC[C@@H]1CO)c1ccccc1 ZINC000639554657 531694427 /nfs/dbraw/zinc/69/44/27/531694427.db2.gz CSFGDHZUPUFXTP-OALUTQOASA-N 2 2 382.595 1.590 20 0 GDADLP OC[C@H]1CSCC[NH+]1CC(C[N@@H+]1CCSC[C@@H]1CO)c1ccccc1 ZINC000639554657 531694433 /nfs/dbraw/zinc/69/44/33/531694433.db2.gz CSFGDHZUPUFXTP-OALUTQOASA-N 2 2 382.595 1.590 20 0 GDADLP O=C(NCC[NH2+]C1CC1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000667671755 531783265 /nfs/dbraw/zinc/78/32/65/531783265.db2.gz FBQOSKZZWUFEAL-UHFFFAOYSA-N 2 2 384.278 1.554 20 0 GDADLP C[NH+](C)C[C@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000563143235 531812216 /nfs/dbraw/zinc/81/22/16/531812216.db2.gz PCULIQSTVJNWHW-VXGBXAGGSA-N 2 2 381.698 1.354 20 0 GDADLP CC[C@@H](c1ccc(Br)cc1)[NH+]1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623938617 531827563 /nfs/dbraw/zinc/82/75/63/531827563.db2.gz WMYPNLRVBMJNDA-ZDUSSCGKSA-N 2 2 392.305 1.733 20 0 GDADLP CC(C)([NH3+])CCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000641817490 531853631 /nfs/dbraw/zinc/85/36/31/531853631.db2.gz IBJIPYBZTRMYFM-UHFFFAOYSA-N 2 2 386.294 1.930 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H]2CCc3ccc(I)cc32)CC1 ZINC000595010952 531865570 /nfs/dbraw/zinc/86/55/70/531865570.db2.gz AEJRMTLOUCLUGW-OAHLLOKOSA-N 2 2 399.276 1.642 20 0 GDADLP C[C@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C[NH2+]1 ZINC000625893068 531919583 /nfs/dbraw/zinc/91/95/83/531919583.db2.gz JEIMAKGSLQXGMP-RYUDHWBXSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1c[nH+]cn1C ZINC000284576004 531971353 /nfs/dbraw/zinc/97/13/53/531971353.db2.gz JLQFDRYVOMZNEZ-JVLSTEMRSA-N 2 2 381.278 1.377 20 0 GDADLP C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576849129 532028881 /nfs/dbraw/zinc/02/88/81/532028881.db2.gz LOTVCJFJCGKECO-YPMHNXCESA-N 2 2 387.297 1.804 20 0 GDADLP C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576849129 532028894 /nfs/dbraw/zinc/02/88/94/532028894.db2.gz LOTVCJFJCGKECO-YPMHNXCESA-N 2 2 387.297 1.804 20 0 GDADLP C[C@@H](C[NH3+])[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000430919303 532257758 /nfs/dbraw/zinc/25/77/58/532257758.db2.gz QDLAZJPRLPWLDX-NSHDSACASA-N 2 2 376.910 1.198 20 0 GDADLP C[C@@H](C[NH3+])[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000430919303 532257764 /nfs/dbraw/zinc/25/77/64/532257764.db2.gz QDLAZJPRLPWLDX-NSHDSACASA-N 2 2 376.910 1.198 20 0 GDADLP Cc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC000549937316 570929449 /nfs/dbraw/zinc/92/94/49/570929449.db2.gz QMBLOQFBDQLTOS-KRWDZBQOSA-N 2 2 382.512 1.326 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(Nc3c4ccccc4nnc3-c3nn[nH]n3)CC2)CC1 ZINC000736851472 598963385 /nfs/dbraw/zinc/96/33/85/598963385.db2.gz ISWVQWSZXXDKBV-UHFFFAOYSA-N 2 2 393.499 1.780 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736704913 598354765 /nfs/dbraw/zinc/35/47/65/598354765.db2.gz CVUHTGWQUGKIEY-MRXNPFEDSA-N 2 2 380.456 1.901 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736704913 598354767 /nfs/dbraw/zinc/35/47/67/598354767.db2.gz CVUHTGWQUGKIEY-MRXNPFEDSA-N 2 2 380.456 1.901 20 0 GDADLP c1cn(Cc2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c[nH+]1 ZINC000738432469 598522458 /nfs/dbraw/zinc/52/24/58/598522458.db2.gz HLXZVTJWCROXGU-AWEZNQCLSA-N 2 2 390.455 1.140 20 0 GDADLP C[NH+](C)C1CCN(c2nc[nH+]c(N3CCC([NH+](C)C)CC3)c2C(=O)[O-])CC1 ZINC000830596640 605013897 /nfs/dbraw/zinc/01/38/97/605013897.db2.gz XSBYWAJZRFQDTJ-UHFFFAOYSA-N 2 2 376.505 1.236 20 0 GDADLP Cc1cccc2c(NC[C@H]3C[N@H+](CC(C)C)CCO3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337273 606441576 /nfs/dbraw/zinc/44/15/76/606441576.db2.gz WWBDAJQHXXIIRT-HNNXBMFYSA-N 2 2 381.484 1.914 20 0 GDADLP Cc1cccc2c(NC[C@H]3C[N@@H+](CC(C)C)CCO3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337273 606441577 /nfs/dbraw/zinc/44/15/77/606441577.db2.gz WWBDAJQHXXIIRT-HNNXBMFYSA-N 2 2 381.484 1.914 20 0 GDADLP Cc1cccc2c(NC[C@@H]3C[N@H+](CC(C)C)CCO3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337276 606441868 /nfs/dbraw/zinc/44/18/68/606441868.db2.gz WWBDAJQHXXIIRT-OAHLLOKOSA-N 2 2 381.484 1.914 20 0 GDADLP Cc1cccc2c(NC[C@@H]3C[N@@H+](CC(C)C)CCO3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822337276 606441870 /nfs/dbraw/zinc/44/18/70/606441870.db2.gz WWBDAJQHXXIIRT-OAHLLOKOSA-N 2 2 381.484 1.914 20 0 GDADLP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000530240209 649968359 /nfs/dbraw/zinc/96/83/59/649968359.db2.gz BFLHMNTUQHZCEG-LBPRGKRZSA-N 2 2 378.261 1.425 20 0 GDADLP Cc1oc(NC(=O)[C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826340547 608454002 /nfs/dbraw/zinc/45/40/02/608454002.db2.gz CALHRLIDOXJLJR-LBPRGKRZSA-N 2 2 386.460 1.931 20 0 GDADLP Cc1oc(NC(=O)[C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)c(-c2nn[nH]n2)c1C ZINC000826340547 608454003 /nfs/dbraw/zinc/45/40/03/608454003.db2.gz CALHRLIDOXJLJR-LBPRGKRZSA-N 2 2 386.460 1.931 20 0 GDADLP O=C1[C@@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476599 609417547 /nfs/dbraw/zinc/41/75/47/609417547.db2.gz KYFKYJGFLLMVEP-RDJZCZTQSA-N 2 2 392.467 1.726 20 0 GDADLP O=S(=O)(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1F ZINC000423100954 646113752 /nfs/dbraw/zinc/11/37/52/646113752.db2.gz NDBNQHSUHBJNRG-HOCLYGCPSA-N 2 2 391.896 1.114 20 0 GDADLP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528473 646128160 /nfs/dbraw/zinc/12/81/60/646128160.db2.gz WOYJUVOHEDNQHD-ZYHUDNBSSA-N 2 2 377.245 1.985 20 0 GDADLP O[C@@H](Cn1cccn1)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889812 648344026 /nfs/dbraw/zinc/34/40/26/648344026.db2.gz ZTIMXQZTMINIED-CQSZACIVSA-N 2 2 394.273 1.998 20 0 GDADLP O[C@@H](Cn1cccn1)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889812 648344032 /nfs/dbraw/zinc/34/40/32/648344032.db2.gz ZTIMXQZTMINIED-CQSZACIVSA-N 2 2 394.273 1.998 20 0 GDADLP CN(CCC[N@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1)CC[NH+](C)C ZINC000575165828 651587416 /nfs/dbraw/zinc/58/74/16/651587416.db2.gz IDEJMBYYBKNOAV-MRXNPFEDSA-N 2 2 385.350 1.791 20 0 GDADLP CN(CCC[N@@H+](C)[C@@H](C(N)=O)c1ccc(Br)cc1)CC[NH+](C)C ZINC000575165828 651587419 /nfs/dbraw/zinc/58/74/19/651587419.db2.gz IDEJMBYYBKNOAV-MRXNPFEDSA-N 2 2 385.350 1.791 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000602466772 652638004 /nfs/dbraw/zinc/63/80/04/652638004.db2.gz WVRWRBYINIFKIB-INIZCTEOSA-N 2 2 393.333 1.704 20 0 GDADLP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cnn4cc(Br)cnc34)C2)CC1 ZINC000602466772 652638008 /nfs/dbraw/zinc/63/80/08/652638008.db2.gz WVRWRBYINIFKIB-INIZCTEOSA-N 2 2 393.333 1.704 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000606511095 652775331 /nfs/dbraw/zinc/77/53/31/652775331.db2.gz CLNHQZUGDOZJHR-LLVKDONJSA-N 2 2 385.310 1.140 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3n[nH]cc3Br)C2)CC1 ZINC000606511095 652775336 /nfs/dbraw/zinc/77/53/36/652775336.db2.gz CLNHQZUGDOZJHR-LLVKDONJSA-N 2 2 385.310 1.140 20 0 GDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610805632 652893805 /nfs/dbraw/zinc/89/38/05/652893805.db2.gz MJEMXFLAOMFGJR-GFCCVEGCSA-N 2 2 387.265 1.716 20 0 GDADLP COc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(Br)cn1 ZINC000621265526 652996893 /nfs/dbraw/zinc/99/68/93/652996893.db2.gz GOGKCBPAZRMCQU-UHFFFAOYSA-N 2 2 399.333 1.743 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000631928786 653273365 /nfs/dbraw/zinc/27/33/65/653273365.db2.gz NMTMDUNESXYSDI-DLBZAZTESA-N 2 2 386.949 1.603 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000631928786 653273366 /nfs/dbraw/zinc/27/33/66/653273366.db2.gz NMTMDUNESXYSDI-DLBZAZTESA-N 2 2 386.949 1.603 20 0 GDADLP C[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CS1 ZINC000655696755 653990555 /nfs/dbraw/zinc/99/05/55/653990555.db2.gz KHVBSDMNTGQCKF-HZPDHXFCSA-N 2 2 384.571 1.407 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662470665 654295128 /nfs/dbraw/zinc/29/51/28/654295128.db2.gz IANQBGHDMZYDAW-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@@H]([NH3+])c1ccccc1Br ZINC000662470665 654295131 /nfs/dbraw/zinc/29/51/31/654295131.db2.gz IANQBGHDMZYDAW-INIZCTEOSA-N 2 2 383.334 1.545 20 0 GDADLP Cc1cc(Br)cc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000774990282 654650550 /nfs/dbraw/zinc/65/05/50/654650550.db2.gz SDKLRSTXTOPXLV-KRWDZBQOSA-N 2 2 396.329 1.780 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000742718270 654709164 /nfs/dbraw/zinc/70/91/64/654709164.db2.gz NMJSKMXLMZTGTN-OCCSQVGLSA-N 2 2 385.921 1.827 20 0 GDADLP C[NH+]1CCC(CNC(=O)c2cc(Br)n[nH]2)([NH+]2CCCCC2)CC1 ZINC000828833350 654885447 /nfs/dbraw/zinc/88/54/47/654885447.db2.gz DOKZXNLDPFCXDD-UHFFFAOYSA-N 2 2 384.322 1.852 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3ncc(Br)cn3)CC2)CC1 ZINC000823113636 655456825 /nfs/dbraw/zinc/45/68/25/655456825.db2.gz CCBDBSRRCVOOQD-UHFFFAOYSA-N 2 2 396.333 1.871 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3ncc(Br)cn3)CC2)CC1 ZINC000823113636 655456826 /nfs/dbraw/zinc/45/68/26/655456826.db2.gz CCBDBSRRCVOOQD-UHFFFAOYSA-N 2 2 396.333 1.871 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cn2c(Br)cnc2s1 ZINC000855414536 655693785 /nfs/dbraw/zinc/69/37/85/655693785.db2.gz GLSHXBZFCPYXKL-UHFFFAOYSA-N 2 2 388.335 1.772 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cn2c(Br)cnc2s1 ZINC000855414536 655693787 /nfs/dbraw/zinc/69/37/87/655693787.db2.gz GLSHXBZFCPYXKL-UHFFFAOYSA-N 2 2 388.335 1.772 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000863642566 655878066 /nfs/dbraw/zinc/87/80/66/655878066.db2.gz SIFIEOBOZNVSBD-CVEARBPZSA-N 2 2 396.285 1.912 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)cc(F)c1O ZINC000865178023 655913827 /nfs/dbraw/zinc/91/38/27/655913827.db2.gz OQEKBTZWVZCTNR-UHFFFAOYSA-N 2 2 376.270 1.859 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870885089 656251647 /nfs/dbraw/zinc/25/16/47/656251647.db2.gz JKDDPAQZLNUWPG-MRXNPFEDSA-N 2 2 397.317 1.118 20 0 GDADLP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870892857 656253818 /nfs/dbraw/zinc/25/38/18/656253818.db2.gz ZRMQSHDMCOHFPE-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP CN(CCC[NH+]1CCN(C)CC1)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870892857 656253819 /nfs/dbraw/zinc/25/38/19/656253819.db2.gz ZRMQSHDMCOHFPE-MRXNPFEDSA-N 2 2 383.334 1.545 20 0 GDADLP C[NH+](C)C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931080019 657069635 /nfs/dbraw/zinc/06/96/35/657069635.db2.gz DOOYLQAGNIYHRY-SWLSCSKDSA-N 2 2 387.311 1.533 20 0 GDADLP C[NH+](C)C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931080019 657069639 /nfs/dbraw/zinc/06/96/39/657069639.db2.gz DOOYLQAGNIYHRY-SWLSCSKDSA-N 2 2 387.311 1.533 20 0 GDADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)CC1 ZINC000884221146 657335931 /nfs/dbraw/zinc/33/59/31/657335931.db2.gz KTZFIDQTAPPAON-NVXWUHKLSA-N 2 2 395.345 1.734 20 0 GDADLP [NH3+][C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@H]1C(F)(F)F ZINC000903514850 659323785 /nfs/dbraw/zinc/32/37/85/659323785.db2.gz WVPIJQJBGPVQDO-ZIAGYGMSSA-N 2 2 376.448 1.214 20 0 GDADLP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755417 659379095 /nfs/dbraw/zinc/37/90/95/659379095.db2.gz GYMYADAQTNIQOI-UXLLHSPISA-N 2 2 382.302 1.676 20 0 GDADLP C[N@@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000903755417 659379101 /nfs/dbraw/zinc/37/91/01/659379101.db2.gz GYMYADAQTNIQOI-UXLLHSPISA-N 2 2 382.302 1.676 20 0 GDADLP [NH3+][C@@]12C[C@@H]1CN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164418461 718887514 /nfs/dbraw/zinc/88/75/14/718887514.db2.gz NWFHFQWHSSFNFO-XMSQKQJNSA-N 2 2 377.492 1.577 20 0 GDADLP CC(C)n1nc(C[NH+](C)C)c2c1CN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164646651 719307335 /nfs/dbraw/zinc/30/73/35/719307335.db2.gz GHRPMOIPTKZBAW-UHFFFAOYSA-N 2 2 398.559 1.630 20 0 GDADLP CC(C)[N@H+](C)Cc1nn(-c2cccc(N3CC[NH+](C)CC3)n2)c2c1CC[NH2+]C2 ZINC001164681650 719630360 /nfs/dbraw/zinc/63/03/60/719630360.db2.gz KKOYAHPVIFZSGR-UHFFFAOYSA-N 3 2 383.544 1.505 20 0 GDADLP CC(C)[N@@H+](C)Cc1nn(-c2cccc(N3CC[NH+](C)CC3)n2)c2c1CC[NH2+]C2 ZINC001164681650 719630366 /nfs/dbraw/zinc/63/03/66/719630366.db2.gz KKOYAHPVIFZSGR-UHFFFAOYSA-N 3 2 383.544 1.505 20 0 GDADLP COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1c1cc(C[NH+](C)C)ccn1 ZINC001164708184 719873955 /nfs/dbraw/zinc/87/39/55/719873955.db2.gz YASNVCLKDKCNRG-XLIONFOSSA-N 2 2 376.501 1.376 20 0 GDADLP c1cc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745894 720756426 /nfs/dbraw/zinc/75/64/26/720756426.db2.gz WFZQVQBCIZMCFM-IAGOWNOFSA-N 2 2 381.484 1.599 20 0 GDADLP c1cc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc(N2CCCCC2)[nH+]1 ZINC001164745894 720756437 /nfs/dbraw/zinc/75/64/37/720756437.db2.gz WFZQVQBCIZMCFM-IAGOWNOFSA-N 2 2 381.484 1.599 20 0 GDADLP Cc1c[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1NCC1CC1 ZINC001164753798 720943902 /nfs/dbraw/zinc/94/39/02/720943902.db2.gz TUTSZNGWGBWYGB-UHFFFAOYSA-N 2 2 399.499 1.449 20 0 GDADLP Cn1ccc2c1nc[nH+]c2N1CC[C@@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886695 721390298 /nfs/dbraw/zinc/39/02/98/721390298.db2.gz FMXUZFIABQLNPG-DYESRHJHSA-N 2 2 384.528 1.734 20 0 GDADLP C[NH+]1CCN(c2ccc(N3C[C@@H]4C[NH+](Cc5nccs5)C[C@H]4C3)nn2)CC1 ZINC001164786779 721393170 /nfs/dbraw/zinc/39/31/70/721393170.db2.gz PDGMKKYOFHFNRA-HOTGVXAUSA-N 2 2 385.541 1.253 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705107 944873909 /nfs/dbraw/zinc/87/39/09/944873909.db2.gz FMCJVMMANCAIKK-IRXDYDNUSA-N 2 2 397.483 1.702 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705107 944873917 /nfs/dbraw/zinc/87/39/17/944873917.db2.gz FMCJVMMANCAIKK-IRXDYDNUSA-N 2 2 397.483 1.702 20 0 GDADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571281629 945806571 /nfs/dbraw/zinc/80/65/71/945806571.db2.gz KHMUYUPWCNHCGT-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[NH+]1C ZINC001571281629 945806585 /nfs/dbraw/zinc/80/65/85/945806585.db2.gz KHMUYUPWCNHCGT-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1C ZINC001571281629 945806597 /nfs/dbraw/zinc/80/65/97/945806597.db2.gz KHMUYUPWCNHCGT-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC001571281629 945806606 /nfs/dbraw/zinc/80/66/06/945806606.db2.gz KHMUYUPWCNHCGT-CSMYWGQOSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824463657 946717135 /nfs/dbraw/zinc/71/71/35/946717135.db2.gz ACJWMERFWOXSQX-OAHLLOKOSA-N 2 2 378.484 1.842 20 0 GDADLP NC(=O)[C@@H](c1ccc(-c2nn[nH]n2)cc1)[NH+]1CCC(CCCn2cc[nH+]c2)CC1 ZINC000826389451 948198975 /nfs/dbraw/zinc/19/89/75/948198975.db2.gz YSSAWQYCDZFOJM-GOSISDBHSA-N 2 2 394.483 1.782 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574918970 948864848 /nfs/dbraw/zinc/86/48/48/948864848.db2.gz SKLPMXJZCOVJPW-ZDUSSCGKSA-N 2 2 386.435 1.277 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266034 949466277 /nfs/dbraw/zinc/46/62/77/949466277.db2.gz WVHROEYPZCCLBQ-PXAZEXFGSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266034 949466295 /nfs/dbraw/zinc/46/62/95/949466295.db2.gz WVHROEYPZCCLBQ-PXAZEXFGSA-N 2 2 387.463 1.037 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001573813232 949629915 /nfs/dbraw/zinc/62/99/15/949629915.db2.gz XFXIFGMZSKJRII-INIZCTEOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H](CC(=O)N(C)CCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574477228 949645692 /nfs/dbraw/zinc/64/56/92/949645692.db2.gz PEKAWMSWPUIDOA-CQSZACIVSA-N 2 2 383.460 1.394 20 0 GDADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574716127 949685337 /nfs/dbraw/zinc/68/53/37/949685337.db2.gz MWPQAVXFTITYHW-GJZGRUSLSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492055 950056641 /nfs/dbraw/zinc/05/66/41/950056641.db2.gz IRGCRHAOERKZRB-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492055 950056666 /nfs/dbraw/zinc/05/66/66/950056666.db2.gz IRGCRHAOERKZRB-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP CC(C)C[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574153903 950152320 /nfs/dbraw/zinc/15/23/20/950152320.db2.gz XOENEDCFUCQYBT-OAHLLOKOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575899946 950186580 /nfs/dbraw/zinc/18/65/80/950186580.db2.gz BAGAXGDDYLVFPV-MEDUHNTESA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CCN1C(=O)CCn1cc[nH+]c1 ZINC001575908869 950382938 /nfs/dbraw/zinc/38/29/38/950382938.db2.gz WOBLBCVZWUHFTH-JSGCOSHPSA-N 2 2 386.485 1.294 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202892 950438493 /nfs/dbraw/zinc/43/84/93/950438493.db2.gz FBZFBVWTWBNPFS-GJZGRUSLSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202892 950438502 /nfs/dbraw/zinc/43/85/02/950438502.db2.gz FBZFBVWTWBNPFS-GJZGRUSLSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204662 950468708 /nfs/dbraw/zinc/46/87/08/950468708.db2.gz RBTKOWPLXIJTDI-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204662 950468725 /nfs/dbraw/zinc/46/87/25/950468725.db2.gz RBTKOWPLXIJTDI-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204662 950468750 /nfs/dbraw/zinc/46/87/50/950468750.db2.gz RBTKOWPLXIJTDI-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cc(F)ccc3-c3nn[nH]n3)C2)C1 ZINC001576204662 950468767 /nfs/dbraw/zinc/46/87/67/950468767.db2.gz RBTKOWPLXIJTDI-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574524654 950868947 /nfs/dbraw/zinc/86/89/47/950868947.db2.gz YEEKQKKDIHDXIF-QWHCGFSZSA-N 2 2 386.435 1.275 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120086 952499007 /nfs/dbraw/zinc/49/90/07/952499007.db2.gz HUNLDMWPEUALFO-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120086 952499011 /nfs/dbraw/zinc/49/90/11/952499011.db2.gz HUNLDMWPEUALFO-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120086 952499012 /nfs/dbraw/zinc/49/90/12/952499012.db2.gz HUNLDMWPEUALFO-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120086 952499015 /nfs/dbraw/zinc/49/90/15/952499015.db2.gz HUNLDMWPEUALFO-OCCSQVGLSA-N 2 2 375.502 1.103 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166007 952757347 /nfs/dbraw/zinc/75/73/47/952757347.db2.gz JZPSUQNBIYDOMV-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166007 952757349 /nfs/dbraw/zinc/75/73/49/952757349.db2.gz JZPSUQNBIYDOMV-WMLDXEAASA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571184303 952891089 /nfs/dbraw/zinc/89/10/89/952891089.db2.gz VWBWVHGVOUXIQU-UONOGXRCSA-N 2 2 381.444 1.147 20 0 GDADLP O=C([O-])C[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+]3CCOCC3)cc2)CC1 ZINC001574717501 962735005 /nfs/dbraw/zinc/73/50/05/962735005.db2.gz KYCIOXYNBKPZPP-UHFFFAOYSA-N 2 2 377.485 1.036 20 0 GDADLP C[NH+](C)CC(=O)N1CCN(Cc2cn3cc(Br)ccc3[nH+]2)CC1 ZINC000051763413 530681422 /nfs/dbraw/zinc/68/14/22/530681422.db2.gz SMWICSOJGOFPLN-UHFFFAOYSA-N 2 2 380.290 1.303 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc(S(C)(=O)=O)cs3)CC2)CC1 ZINC000120049367 530934943 /nfs/dbraw/zinc/93/49/43/530934943.db2.gz FXBDTMQYHJGEHQ-UHFFFAOYSA-N 2 2 385.555 1.440 20 0 GDADLP Brc1ccc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)nc1 ZINC000261823630 531100218 /nfs/dbraw/zinc/10/02/18/531100218.db2.gz USJFLPHWZAAHFZ-UHFFFAOYSA-N 2 2 377.290 1.918 20 0 GDADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000435391591 531261461 /nfs/dbraw/zinc/26/14/61/531261461.db2.gz XAZXRSOUCZEBQG-CQSZACIVSA-N 2 2 387.933 1.421 20 0 GDADLP CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000435391591 531261467 /nfs/dbraw/zinc/26/14/67/531261467.db2.gz XAZXRSOUCZEBQG-CQSZACIVSA-N 2 2 387.933 1.421 20 0 GDADLP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000437099086 531291188 /nfs/dbraw/zinc/29/11/88/531291188.db2.gz RBYAYIJCQJQORD-JSGCOSHPSA-N 2 2 386.484 1.167 20 0 GDADLP CC[N@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000437099086 531291193 /nfs/dbraw/zinc/29/11/93/531291193.db2.gz RBYAYIJCQJQORD-JSGCOSHPSA-N 2 2 386.484 1.167 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439277233 531319258 /nfs/dbraw/zinc/31/92/58/531319258.db2.gz VPVQUPWLRCUTOX-CQSZACIVSA-N 2 2 386.484 1.312 20 0 GDADLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(NS(=O)(=O)NCC(F)(F)F)CC1 ZINC000439277233 531319265 /nfs/dbraw/zinc/31/92/65/531319265.db2.gz VPVQUPWLRCUTOX-CQSZACIVSA-N 2 2 386.484 1.312 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000278056567 531331276 /nfs/dbraw/zinc/33/12/76/531331276.db2.gz UMETUDWAPOSEJW-UHFFFAOYSA-N 2 2 399.333 1.577 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Cc1cc[nH]c(=O)c1Br ZINC000278056567 531331280 /nfs/dbraw/zinc/33/12/80/531331280.db2.gz UMETUDWAPOSEJW-UHFFFAOYSA-N 2 2 399.333 1.577 20 0 GDADLP CC[C@H](C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000413847469 531419074 /nfs/dbraw/zinc/41/90/74/531419074.db2.gz UVKKEYXWLISCAW-CQSZACIVSA-N 2 2 384.322 1.875 20 0 GDADLP CC[C@@H](C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000413847468 531419335 /nfs/dbraw/zinc/41/93/35/531419335.db2.gz UVKKEYXWLISCAW-AWEZNQCLSA-N 2 2 384.322 1.875 20 0 GDADLP Cc1nn(-c2ccc(Br)cc2)cc1C[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414971595 531464420 /nfs/dbraw/zinc/46/44/20/531464420.db2.gz WPCUMTOTIMBMKQ-QGZVFWFLSA-N 2 2 378.318 1.936 20 0 GDADLP O=C(C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)NCCc1cccc(Cl)c1Cl ZINC000489930737 531515004 /nfs/dbraw/zinc/51/50/04/531515004.db2.gz DTIGPZDKHFOYTP-OAHLLOKOSA-N 2 2 385.339 1.632 20 0 GDADLP O=C(NC[C@H]1CCCC[NH2+]1)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000667671772 531782794 /nfs/dbraw/zinc/78/27/94/531782794.db2.gz KIOQUQHDMVUNMA-GFCCVEGCSA-N 2 2 398.305 1.944 20 0 GDADLP O=C(c1ccccc1I)N1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000592478109 531790885 /nfs/dbraw/zinc/79/08/85/531790885.db2.gz XPWQRAMHWWTVTM-CYBMUJFWSA-N 2 2 399.276 1.659 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H](C[NH3+])C3CC3)[nH+]c12 ZINC000418019231 531797493 /nfs/dbraw/zinc/79/74/93/531797493.db2.gz KOSFFSDAWRDFLW-CQSZACIVSA-N 2 2 380.290 1.984 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563440119 531843781 /nfs/dbraw/zinc/84/37/81/531843781.db2.gz HNXPUOBKZAMOFG-LSDHHAIUSA-N 2 2 385.295 1.196 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000563440119 531843788 /nfs/dbraw/zinc/84/37/88/531843788.db2.gz HNXPUOBKZAMOFG-LSDHHAIUSA-N 2 2 385.295 1.196 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cccc(I)c1 ZINC000597989936 531962584 /nfs/dbraw/zinc/96/25/84/531962584.db2.gz NWZNTVDSUACUFH-UHFFFAOYSA-N 2 2 389.281 1.905 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cccc(I)c1 ZINC000597989936 531962590 /nfs/dbraw/zinc/96/25/90/531962590.db2.gz NWZNTVDSUACUFH-UHFFFAOYSA-N 2 2 389.281 1.905 20 0 GDADLP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CS1 ZINC000655716723 531975641 /nfs/dbraw/zinc/97/56/41/531975641.db2.gz YITFKFFVRYSKSO-NVXWUHKLSA-N 2 2 383.583 1.996 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@H+](C)CCO1 ZINC000632164776 532015474 /nfs/dbraw/zinc/01/54/74/532015474.db2.gz WGJIYOLQNGAJKM-DLBZAZTESA-N 2 2 389.949 1.583 20 0 GDADLP C[NH+](C)CCCS(=O)(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1C[N@@H+](C)CCO1 ZINC000632164776 532015481 /nfs/dbraw/zinc/01/54/81/532015481.db2.gz WGJIYOLQNGAJKM-DLBZAZTESA-N 2 2 389.949 1.583 20 0 GDADLP C[N@@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154502 532014536 /nfs/dbraw/zinc/01/45/36/532014536.db2.gz HIWAPCQSZRFFNO-YESZJQIVSA-N 2 2 387.933 1.335 20 0 GDADLP C[N@H+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[NH+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154502 532014541 /nfs/dbraw/zinc/01/45/41/532014541.db2.gz HIWAPCQSZRFFNO-YESZJQIVSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154502 532014545 /nfs/dbraw/zinc/01/45/45/532014545.db2.gz HIWAPCQSZRFFNO-YESZJQIVSA-N 2 2 387.933 1.335 20 0 GDADLP C[NH+]1CC[C@H](NS(=O)(=O)C[C@@H]2C[N@@H+](C)CCO2)[C@H]1c1ccc(Cl)cc1 ZINC000632154502 532014552 /nfs/dbraw/zinc/01/45/52/532014552.db2.gz HIWAPCQSZRFFNO-YESZJQIVSA-N 2 2 387.933 1.335 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000634698396 532053847 /nfs/dbraw/zinc/05/38/47/532053847.db2.gz KNTHRDSZYLTUTK-KRWDZBQOSA-N 2 2 381.523 1.122 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000634698396 532053858 /nfs/dbraw/zinc/05/38/58/532053858.db2.gz KNTHRDSZYLTUTK-KRWDZBQOSA-N 2 2 381.523 1.122 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142901 532057867 /nfs/dbraw/zinc/05/78/67/532057867.db2.gz LFOXBPYXNQMUAA-GJZGRUSLSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142901 532057874 /nfs/dbraw/zinc/05/78/74/532057874.db2.gz LFOXBPYXNQMUAA-GJZGRUSLSA-N 2 2 375.270 1.741 20 0 GDADLP O=C(NCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422879520 532068534 /nfs/dbraw/zinc/06/85/34/532068534.db2.gz MGUWZBXGNGLERN-IAGOWNOFSA-N 2 2 396.329 1.926 20 0 GDADLP C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000469739039 532077841 /nfs/dbraw/zinc/07/78/41/532077841.db2.gz CZRLEPAHQXIFLB-LBPRGKRZSA-N 2 2 397.317 1.790 20 0 GDADLP C[C@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000469739039 532077845 /nfs/dbraw/zinc/07/78/45/532077845.db2.gz CZRLEPAHQXIFLB-LBPRGKRZSA-N 2 2 397.317 1.790 20 0 GDADLP C[NH+]1CCC(NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC1 ZINC000333158023 532222617 /nfs/dbraw/zinc/22/26/17/532222617.db2.gz GTAILCAZWXLVAY-UHFFFAOYSA-N 2 2 398.305 1.896 20 0 GDADLP COc1ccc(C[NH2+][C@H]2CCN(CC[NH+]3CCOCC3)C2)c(Br)c1 ZINC000377409507 532258548 /nfs/dbraw/zinc/25/85/48/532258548.db2.gz IGHFZSAXYSDXQZ-INIZCTEOSA-N 2 2 398.345 1.954 20 0 GDADLP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238102171 570425032 /nfs/dbraw/zinc/42/50/32/570425032.db2.gz DYQJRNLUFOMUPR-KSSFIOAISA-N 2 2 389.496 1.921 20 0 GDADLP C[C@@H]([NH2+]C(C)(C)C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736133773 598885864 /nfs/dbraw/zinc/88/58/64/598885864.db2.gz SFYWJXFUOMGUKQ-CABCVRRESA-N 2 2 395.515 1.824 20 0 GDADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000737745402 599073548 /nfs/dbraw/zinc/07/35/48/599073548.db2.gz YFRBHTSHFJUABE-DYVFJYSZSA-N 2 2 378.440 1.222 20 0 GDADLP NC(=O)[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000737745402 599073550 /nfs/dbraw/zinc/07/35/50/599073550.db2.gz YFRBHTSHFJUABE-DYVFJYSZSA-N 2 2 378.440 1.222 20 0 GDADLP Cc1c(NC(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cccc1-c1nn[nH]n1 ZINC000822076580 607286448 /nfs/dbraw/zinc/28/64/48/607286448.db2.gz NUFQXJNFNNVSOK-UHFFFAOYSA-N 2 2 386.504 1.665 20 0 GDADLP Cc1c(NC(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cccc1-c1nn[nH]n1 ZINC000822076580 607286449 /nfs/dbraw/zinc/28/64/49/607286449.db2.gz NUFQXJNFNNVSOK-UHFFFAOYSA-N 2 2 386.504 1.665 20 0 GDADLP C[N@@H+]1CC[C@H](C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000736846675 598259328 /nfs/dbraw/zinc/25/93/28/598259328.db2.gz AFCUAJVDBYADFH-AWEZNQCLSA-N 2 2 392.467 1.015 20 0 GDADLP C[N@H+]1CC[C@H](C(=O)N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000736846675 598259330 /nfs/dbraw/zinc/25/93/30/598259330.db2.gz AFCUAJVDBYADFH-AWEZNQCLSA-N 2 2 392.467 1.015 20 0 GDADLP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133759 598786091 /nfs/dbraw/zinc/78/60/91/598786091.db2.gz SAIQOLCPIFRMHV-QWRGUYRKSA-N 2 2 398.496 1.545 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000823798211 599565706 /nfs/dbraw/zinc/56/57/06/599565706.db2.gz VHBBELHWEBWVOQ-AWEZNQCLSA-N 2 2 379.468 1.750 20 0 GDADLP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268408 599675777 /nfs/dbraw/zinc/67/57/77/599675777.db2.gz WENHFMODGDNVGA-SFHVURJKSA-N 2 2 398.515 1.178 20 0 GDADLP CC[N@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268408 599675778 /nfs/dbraw/zinc/67/57/78/599675778.db2.gz WENHFMODGDNVGA-SFHVURJKSA-N 2 2 398.515 1.178 20 0 GDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000530244224 649968532 /nfs/dbraw/zinc/96/85/32/649968532.db2.gz WSMWLTQNUNVOHO-GFCCVEGCSA-N 2 2 378.261 1.425 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000826169333 608356775 /nfs/dbraw/zinc/35/67/75/608356775.db2.gz PILZHOQQLWQLHA-IAGOWNOFSA-N 2 2 399.543 1.866 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826168430 608375372 /nfs/dbraw/zinc/37/53/72/608375372.db2.gz MMKDXSONVCHXQG-QAPCUYQASA-N 2 2 385.516 1.333 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826168430 608375374 /nfs/dbraw/zinc/37/53/74/608375374.db2.gz MMKDXSONVCHXQG-QAPCUYQASA-N 2 2 385.516 1.333 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000824952786 608452319 /nfs/dbraw/zinc/45/23/19/608452319.db2.gz ATDJTYHAUICZGZ-WMLDXEAASA-N 2 2 380.456 1.263 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000824952786 608452322 /nfs/dbraw/zinc/45/23/22/608452322.db2.gz ATDJTYHAUICZGZ-WMLDXEAASA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H]([NH2+]C[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568592 608483277 /nfs/dbraw/zinc/48/32/77/608483277.db2.gz AXMZOQWZEARKFY-QRWLVFNGSA-N 2 2 378.480 1.937 20 0 GDADLP C[C@@H]([NH2+]C[C@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568592 608483278 /nfs/dbraw/zinc/48/32/78/608483278.db2.gz AXMZOQWZEARKFY-QRWLVFNGSA-N 2 2 378.480 1.937 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CC2=CCCOC2)CC1 ZINC000823867770 608652789 /nfs/dbraw/zinc/65/27/89/608652789.db2.gz HLMODLWRTJQQHK-UHFFFAOYSA-N 2 2 377.452 1.884 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909400 608654019 /nfs/dbraw/zinc/65/40/19/608654019.db2.gz TUWSWUDZGGHGSW-GASCZTMLSA-N 2 2 375.546 1.919 20 0 GDADLP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000824909400 608654021 /nfs/dbraw/zinc/65/40/21/608654021.db2.gz TUWSWUDZGGHGSW-GASCZTMLSA-N 2 2 375.546 1.919 20 0 GDADLP C[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000826034665 608683580 /nfs/dbraw/zinc/68/35/80/608683580.db2.gz VBFKKCMGIILULC-UHFFFAOYSA-N 2 2 389.529 1.304 20 0 GDADLP [NH2+]=C(NOCc1cccc(-c2nn[nH]n2)c1)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000826388474 609500477 /nfs/dbraw/zinc/50/04/77/609500477.db2.gz ALEHBRHKKZUUBS-GOSISDBHSA-N 2 2 393.451 1.766 20 0 GDADLP [NH2+]=C(NOCc1cccc(-c2nn[nH]n2)c1)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000826388474 609500481 /nfs/dbraw/zinc/50/04/81/609500481.db2.gz ALEHBRHKKZUUBS-GOSISDBHSA-N 2 2 393.451 1.766 20 0 GDADLP O=C(NCCN1CC[NH2+]CC1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000565419893 650795955 /nfs/dbraw/zinc/79/59/55/650795955.db2.gz LDXKKCMHYNBDOB-KRWDZBQOSA-N 2 2 395.345 1.607 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261669451 645115109 /nfs/dbraw/zinc/11/51/09/645115109.db2.gz IXQOYPWTPWGLRO-KRWDZBQOSA-N 2 2 384.318 1.957 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261669451 645115111 /nfs/dbraw/zinc/11/51/11/645115111.db2.gz IXQOYPWTPWGLRO-KRWDZBQOSA-N 2 2 384.318 1.957 20 0 GDADLP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000292082762 645201618 /nfs/dbraw/zinc/20/16/18/645201618.db2.gz DSNXTSZEAPQGHK-BBRMVZONSA-N 2 2 384.318 1.625 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755595 645253825 /nfs/dbraw/zinc/25/38/25/645253825.db2.gz IVKZSDHFWFHIAE-INMHGKMJSA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)COc1ccc(Br)cc1 ZINC000320755595 645253826 /nfs/dbraw/zinc/25/38/26/645253826.db2.gz IVKZSDHFWFHIAE-INMHGKMJSA-N 2 2 385.302 1.642 20 0 GDADLP CCc1n[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000366056262 645585104 /nfs/dbraw/zinc/58/51/04/645585104.db2.gz QYMWEUYTPLOKOS-LLVKDONJSA-N 2 2 384.322 1.633 20 0 GDADLP CCc1n[nH]c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000366056262 645585107 /nfs/dbraw/zinc/58/51/07/645585107.db2.gz QYMWEUYTPLOKOS-LLVKDONJSA-N 2 2 384.322 1.633 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C[C@H]2COCC[NH2+]2)s1 ZINC000422721970 646097728 /nfs/dbraw/zinc/09/77/28/646097728.db2.gz WLBPAJIESSFROZ-CABCVRRESA-N 2 2 389.587 1.678 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H]2COCC[NH2+]2)s1 ZINC000422931253 646100501 /nfs/dbraw/zinc/10/05/01/646100501.db2.gz BIPQMLMZKRFGJH-UONOGXRCSA-N 2 2 375.560 1.635 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423116000 646115248 /nfs/dbraw/zinc/11/52/48/646115248.db2.gz ONZRLOYFUNBBMJ-WCQYABFASA-N 2 2 379.885 1.114 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479787368 647836485 /nfs/dbraw/zinc/83/64/85/647836485.db2.gz YTPOJKLTEDLDNH-OKILXGFUSA-N 2 2 382.302 1.438 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479787368 647836487 /nfs/dbraw/zinc/83/64/87/647836487.db2.gz YTPOJKLTEDLDNH-OKILXGFUSA-N 2 2 382.302 1.438 20 0 GDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000499929272 648095874 /nfs/dbraw/zinc/09/58/74/648095874.db2.gz YXPBDRCCJFJPHN-HNNXBMFYSA-N 2 2 387.571 1.640 20 0 GDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(S(C)(=O)=O)c1 ZINC000499929272 648095875 /nfs/dbraw/zinc/09/58/75/648095875.db2.gz YXPBDRCCJFJPHN-HNNXBMFYSA-N 2 2 387.571 1.640 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3CCC[NH2+]3)[nH+]c12 ZINC000514721787 648462176 /nfs/dbraw/zinc/46/21/76/648462176.db2.gz CBOAMKOOEGXDGM-CYBMUJFWSA-N 2 2 380.290 1.999 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c[nH+]c12 ZINC000573816561 651496990 /nfs/dbraw/zinc/49/69/90/651496990.db2.gz HCEOVWQXNXJFFR-JSGCOSHPSA-N 2 2 378.274 1.149 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3COCC[NH2+]3)[nH+]c12 ZINC000627012767 653066785 /nfs/dbraw/zinc/06/67/85/653066785.db2.gz FGGVAGQNKMCQLB-AWEZNQCLSA-N 2 2 396.289 1.235 20 0 GDADLP COC[C@@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@H+]1CCCC[C@H]1COC ZINC000832616027 655040986 /nfs/dbraw/zinc/04/09/86/655040986.db2.gz OJPIBVYKJDXSPS-ROUUACIJSA-N 2 2 376.563 1.403 20 0 GDADLP COC[C@@H]1CCCC[NH+]1CCS(=O)(=O)CC[N@@H+]1CCCC[C@H]1COC ZINC000832616027 655040989 /nfs/dbraw/zinc/04/09/89/655040989.db2.gz OJPIBVYKJDXSPS-ROUUACIJSA-N 2 2 376.563 1.403 20 0 GDADLP CO[C@@]1(C)CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000791559728 655073879 /nfs/dbraw/zinc/07/38/79/655073879.db2.gz YWVCOGVMXIPELU-ROUUACIJSA-N 2 2 376.563 1.403 20 0 GDADLP CO[C@@]1(C)CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000791559728 655073882 /nfs/dbraw/zinc/07/38/82/655073882.db2.gz YWVCOGVMXIPELU-ROUUACIJSA-N 2 2 376.563 1.403 20 0 GDADLP COc1ncc(Br)cc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000865465647 655920293 /nfs/dbraw/zinc/92/02/93/655920293.db2.gz FUGRJDQRKDLXOR-MRXNPFEDSA-N 2 2 399.333 1.349 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870866358 656251045 /nfs/dbraw/zinc/25/10/45/656251045.db2.gz ZMIYAIDIPNELKA-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870895915 656253784 /nfs/dbraw/zinc/25/37/84/656253784.db2.gz OBGVDFHLSRZJGI-BLLLJJGKSA-N 2 2 398.301 1.545 20 0 GDADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152600 656656848 /nfs/dbraw/zinc/65/68/48/656656848.db2.gz OQAXVTGVHJHDRV-NWLBTCKQSA-N 2 2 375.450 1.232 20 0 GDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[S@@](=O)C(F)(F)F)CC2)CC1 ZINC000929609062 656974925 /nfs/dbraw/zinc/97/49/25/656974925.db2.gz GFMKQNOHHYWWLW-RUZDIDTESA-N 2 2 383.480 1.521 20 0 GDADLP C[NH+](C)C[C@@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884438998 657357094 /nfs/dbraw/zinc/35/70/94/657357094.db2.gz PVWRNYIVOKBUBA-UONOGXRCSA-N 2 2 396.340 1.474 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccccc1Br)C2 ZINC000903491199 659317886 /nfs/dbraw/zinc/31/78/86/659317886.db2.gz ZCFVSSJWVDWVAR-JKDFXYPNSA-N 2 2 396.285 1.600 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](CC(=O)Nc1ccccc1Br)C2 ZINC000903491199 659317891 /nfs/dbraw/zinc/31/78/91/659317891.db2.gz ZCFVSSJWVDWVAR-JKDFXYPNSA-N 2 2 396.285 1.600 20 0 GDADLP CSc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903562365 659341717 /nfs/dbraw/zinc/34/17/17/659341717.db2.gz JWYKAFSKQSWUEH-IYBDPMFKSA-N 2 2 381.567 1.998 20 0 GDADLP CSc1ccc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cc1 ZINC000903562365 659341721 /nfs/dbraw/zinc/34/17/21/659341721.db2.gz JWYKAFSKQSWUEH-IYBDPMFKSA-N 2 2 381.567 1.998 20 0 GDADLP CSc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562624 659342085 /nfs/dbraw/zinc/34/20/85/659342085.db2.gz QXPIQTLOOAVVBL-IYBDPMFKSA-N 2 2 381.567 1.998 20 0 GDADLP CSc1ccccc1S(=O)(=O)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562624 659342088 /nfs/dbraw/zinc/34/20/88/659342088.db2.gz QXPIQTLOOAVVBL-IYBDPMFKSA-N 2 2 381.567 1.998 20 0 GDADLP Ic1cnnn1C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903764727 659379387 /nfs/dbraw/zinc/37/93/87/659379387.db2.gz AOSHBRNCMHAFGZ-LBPRGKRZSA-N 2 2 389.285 1.909 20 0 GDADLP COCCN1CC[N@H+](C)C2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)C1=O ZINC001164641208 719277456 /nfs/dbraw/zinc/27/74/56/719277456.db2.gz UKTKCMVIEYQQRE-UHFFFAOYSA-N 2 2 387.528 1.441 20 0 GDADLP COCCN1CC[N@@H+](C)C2(CCN(c3cc(N4CCCC4)cc[nH+]3)CC2)C1=O ZINC001164641208 719277460 /nfs/dbraw/zinc/27/74/60/719277460.db2.gz UKTKCMVIEYQQRE-UHFFFAOYSA-N 2 2 387.528 1.441 20 0 GDADLP C[N@@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@H]21 ZINC001164671521 719452325 /nfs/dbraw/zinc/45/23/25/719452325.db2.gz PYUVZGSZSDUIIR-MOPGFXCFSA-N 2 2 398.486 1.462 20 0 GDADLP C[N@H+]1CCO[C@H]2CN(c3cc(N4CCN(c5ccccc5F)CC4)[nH+]cn3)C[C@H]21 ZINC001164671521 719452334 /nfs/dbraw/zinc/45/23/34/719452334.db2.gz PYUVZGSZSDUIIR-MOPGFXCFSA-N 2 2 398.486 1.462 20 0 GDADLP Cc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C(C)C)[nH+]1 ZINC001164873411 721284852 /nfs/dbraw/zinc/28/48/52/721284852.db2.gz MLVCNPQZTXTQAA-UHFFFAOYSA-N 2 2 389.544 1.915 20 0 GDADLP Cc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(C(C)C)[nH+]1 ZINC001164873411 721284858 /nfs/dbraw/zinc/28/48/58/721284858.db2.gz MLVCNPQZTXTQAA-UHFFFAOYSA-N 2 2 389.544 1.915 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@@H]43)[nH+]2)CC1 ZINC001164892690 721457713 /nfs/dbraw/zinc/45/77/13/721457713.db2.gz XFSDPCLOJNMXRN-BZSNNMDCSA-N 2 2 385.512 1.096 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001165008120 721708132 /nfs/dbraw/zinc/70/81/32/721708132.db2.gz AWDVOOIVIOKWIA-UHFFFAOYSA-N 2 2 375.868 1.848 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1[nH+][nH]c(Cl)c3ncnc1-3)C2 ZINC001165008120 721708136 /nfs/dbraw/zinc/70/81/36/721708136.db2.gz AWDVOOIVIOKWIA-UHFFFAOYSA-N 2 2 375.868 1.848 20 0 GDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164945699 721973874 /nfs/dbraw/zinc/97/38/74/721973874.db2.gz QSCUECSQGOGMDR-UHFFFAOYSA-N 2 2 378.480 1.051 20 0 GDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncc3c(n1)C[NH2+]C3)CC2 ZINC001164945699 721973875 /nfs/dbraw/zinc/97/38/75/721973875.db2.gz QSCUECSQGOGMDR-UHFFFAOYSA-N 2 2 378.480 1.051 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCc4onc(Cn5cccn5)c4C3)[nH+]2)CC1 ZINC001164961265 722050346 /nfs/dbraw/zinc/05/03/46/722050346.db2.gz WWHHNLFTYJUCSF-UHFFFAOYSA-N 2 2 379.468 1.629 20 0 GDADLP C[C@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271371 945643256 /nfs/dbraw/zinc/64/32/56/945643256.db2.gz BATXJACGBRUVIY-NWDGAFQWSA-N 2 2 386.485 1.078 20 0 GDADLP CCc1nncn1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825771921 947328578 /nfs/dbraw/zinc/32/85/78/947328578.db2.gz VNJDOOBCRKTTLQ-UHFFFAOYSA-N 2 2 381.488 1.275 20 0 GDADLP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060238 947421788 /nfs/dbraw/zinc/42/17/88/947421788.db2.gz IYHDYLFOTXKZLY-ROUUACIJSA-N 2 2 383.500 1.335 20 0 GDADLP CSC[C@@H](CCO)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826228675 947670457 /nfs/dbraw/zinc/67/04/57/947670457.db2.gz XBNAQDKSZUIKOI-QGZVFWFLSA-N 2 2 376.530 1.535 20 0 GDADLP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH+]c[nH]1 ZINC001573763453 948873157 /nfs/dbraw/zinc/87/31/57/948873157.db2.gz FOLFJZTYZUVMAU-HNNXBMFYSA-N 2 2 380.456 1.258 20 0 GDADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F ZINC001574725015 949890635 /nfs/dbraw/zinc/89/06/35/949890635.db2.gz NHFTYBQZYTZHNV-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492056 950056473 /nfs/dbraw/zinc/05/64/73/950056473.db2.gz IRGCRHAOERKZRB-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492056 950056497 /nfs/dbraw/zinc/05/64/97/950056497.db2.gz IRGCRHAOERKZRB-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574493895 950140935 /nfs/dbraw/zinc/14/09/35/950140935.db2.gz VDZHMQUXHPNERI-UGSOOPFHSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H](CC(=O)N[C@]1(C)CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574493893 950142400 /nfs/dbraw/zinc/14/24/00/950142400.db2.gz VDZHMQUXHPNERI-FZKQIMNGSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199210 950419712 /nfs/dbraw/zinc/41/97/12/950419712.db2.gz XKOLQOXTVNACMQ-AWEZNQCLSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)CC[NH+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199210 950419721 /nfs/dbraw/zinc/41/97/21/950419721.db2.gz XKOLQOXTVNACMQ-AWEZNQCLSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199210 950419730 /nfs/dbraw/zinc/41/97/30/950419730.db2.gz XKOLQOXTVNACMQ-AWEZNQCLSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)CC[N@@H+](C)Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001576199210 950419742 /nfs/dbraw/zinc/41/97/42/950419742.db2.gz XKOLQOXTVNACMQ-AWEZNQCLSA-N 2 2 389.479 1.238 20 0 GDADLP C[C@H](CC(=O)N[C@@H](C)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574509513 950515897 /nfs/dbraw/zinc/51/58/97/950515897.db2.gz WJKOCJUBRIGXRO-QWHCGFSZSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207873 950598561 /nfs/dbraw/zinc/59/85/61/950598561.db2.gz KQTDFAVESUEPRD-ZDUSSCGKSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207873 950598569 /nfs/dbraw/zinc/59/85/69/950598569.db2.gz KQTDFAVESUEPRD-ZDUSSCGKSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207873 950598587 /nfs/dbraw/zinc/59/85/87/950598587.db2.gz KQTDFAVESUEPRD-ZDUSSCGKSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C2CC2)C1 ZINC001576207873 950598612 /nfs/dbraw/zinc/59/86/12/950598612.db2.gz KQTDFAVESUEPRD-ZDUSSCGKSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001574523681 950824128 /nfs/dbraw/zinc/82/41/28/950824128.db2.gz PFZMAEIHDBQAGL-GJZGRUSLSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574524653 950869049 /nfs/dbraw/zinc/86/90/49/950869049.db2.gz YEEKQKKDIHDXIF-OLZOCXBDSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001574524726 950872745 /nfs/dbraw/zinc/87/27/45/950872745.db2.gz YVJYMHYAQKPETG-HUUCEWRRSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575079396 951690976 /nfs/dbraw/zinc/69/09/76/951690976.db2.gz DNLJNUJMORATFI-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cccc2[nH+]ccn21 ZINC001575095955 951816778 /nfs/dbraw/zinc/81/67/78/951816778.db2.gz XRDMEHAQOARMAZ-AWEZNQCLSA-N 2 2 390.451 1.765 20 0 GDADLP O=C(CCn1cc[nH+]c1)N1CCC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571172310 952805514 /nfs/dbraw/zinc/80/55/14/952805514.db2.gz SKLYFRUWSUWNBB-MRXNPFEDSA-N 2 2 380.456 1.234 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000162381644 530568133 /nfs/dbraw/zinc/56/81/33/530568133.db2.gz AIUUGVHOIIUJEJ-SJORKVTESA-N 2 2 396.329 1.721 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000162381644 530568135 /nfs/dbraw/zinc/56/81/35/530568135.db2.gz AIUUGVHOIIUJEJ-SJORKVTESA-N 2 2 396.329 1.721 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)COc2cccc(Br)c2)CC1 ZINC000177130833 530697668 /nfs/dbraw/zinc/69/76/68/530697668.db2.gz JOCLDITXBMJEIK-UHFFFAOYSA-N 2 2 384.318 1.970 20 0 GDADLP Cn1nc(Br)cc1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000192355419 530967641 /nfs/dbraw/zinc/96/76/41/530967641.db2.gz RMPOTCCPFYZMFK-UHFFFAOYSA-N 2 2 398.349 1.863 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130513156 531061372 /nfs/dbraw/zinc/06/13/72/531061372.db2.gz QGNKYJJKVLEFFK-DYEKYZERSA-N 2 2 386.484 1.166 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130513156 531061376 /nfs/dbraw/zinc/06/13/76/531061376.db2.gz QGNKYJJKVLEFFK-DYEKYZERSA-N 2 2 386.484 1.166 20 0 GDADLP Brc1cc2c(cc1C[NH+]1CCN([C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000261978350 531104399 /nfs/dbraw/zinc/10/43/99/531104399.db2.gz ZWGYBXXGBGSYCZ-CQSZACIVSA-N 2 2 382.302 1.700 20 0 GDADLP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000261694265 531096634 /nfs/dbraw/zinc/09/66/34/531096634.db2.gz NZUHWTZWZMBDGT-CYBMUJFWSA-N 2 2 397.317 1.483 20 0 GDADLP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Br)c1 ZINC000261694265 531096637 /nfs/dbraw/zinc/09/66/37/531096637.db2.gz NZUHWTZWZMBDGT-CYBMUJFWSA-N 2 2 397.317 1.483 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000261856986 531100650 /nfs/dbraw/zinc/10/06/50/531100650.db2.gz WLDHDVQTDPZCOR-QBIMZIAESA-N 2 2 398.345 1.927 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O ZINC000261856986 531100651 /nfs/dbraw/zinc/10/06/51/531100651.db2.gz WLDHDVQTDPZCOR-QBIMZIAESA-N 2 2 398.345 1.927 20 0 GDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000414364592 531444817 /nfs/dbraw/zinc/44/48/17/531444817.db2.gz MTMYFZVOUJNOLJ-UHFFFAOYSA-N 2 2 389.949 1.966 20 0 GDADLP CC(C)[C@@H]([NH3+])CNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415809246 531534603 /nfs/dbraw/zinc/53/46/03/531534603.db2.gz SXNBGFOTFJRKHG-LBPRGKRZSA-N 2 2 386.294 1.786 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)C(=O)N(C)CC[NH+](C)C)[nH+]c12 ZINC000583957805 531603169 /nfs/dbraw/zinc/60/31/69/531603169.db2.gz NRWVNUAELVIXJI-UHFFFAOYSA-N 2 2 396.289 1.041 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CCN2C1=O ZINC000583883646 531601825 /nfs/dbraw/zinc/60/18/25/531601825.db2.gz XDYGXBZZMVZDPF-ZIAGYGMSSA-N 2 2 391.269 1.848 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662382961 531676464 /nfs/dbraw/zinc/67/64/64/531676464.db2.gz GCIPKXGFUMMBNZ-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)CC1 ZINC000589820443 531676921 /nfs/dbraw/zinc/67/69/21/531676921.db2.gz OWNJSGYCDNREPT-OAHLLOKOSA-N 2 2 386.949 1.199 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(S(N)(=O)=O)c3)C2)CC1 ZINC000589820443 531676927 /nfs/dbraw/zinc/67/69/27/531676927.db2.gz OWNJSGYCDNREPT-OAHLLOKOSA-N 2 2 386.949 1.199 20 0 GDADLP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000662449757 531679013 /nfs/dbraw/zinc/67/90/13/531679013.db2.gz SXZGIKLUMUBTRA-JTQLQIEISA-N 2 2 387.347 1.480 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000561159730 531683150 /nfs/dbraw/zinc/68/31/50/531683150.db2.gz YNMAUTDJODKMAG-KGLIPLIRSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccccc3Br)C2)[C@@H](C[NH3+])C1 ZINC000561159730 531683160 /nfs/dbraw/zinc/68/31/60/531683160.db2.gz YNMAUTDJODKMAG-KGLIPLIRSA-N 2 2 396.333 1.312 20 0 GDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177099 531684174 /nfs/dbraw/zinc/68/41/74/531684174.db2.gz PGFDVAWSWXFXCG-LBPRGKRZSA-N 2 2 399.314 1.820 20 0 GDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(S(N)(=O)=O)c(Br)c2)C1 ZINC000639177099 531684178 /nfs/dbraw/zinc/68/41/78/531684178.db2.gz PGFDVAWSWXFXCG-LBPRGKRZSA-N 2 2 399.314 1.820 20 0 GDADLP Cc1nc(N2CCN(C(=O)[C@@H]([NH3+])c3ccccc3Br)CC2)cc[nH+]1 ZINC000662533850 531684332 /nfs/dbraw/zinc/68/43/32/531684332.db2.gz FJAFZKYCRVYIOH-INIZCTEOSA-N 2 2 390.285 1.896 20 0 GDADLP C[N@@H+]1CCO[C@@H]([C@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944175 531792762 /nfs/dbraw/zinc/79/27/62/531792762.db2.gz CAWILBFFVMRXDX-ZIAGYGMSSA-N 2 2 376.835 1.605 20 0 GDADLP C[N@H+]1CCO[C@@H]([C@H](NC(=O)NCC(F)(F)C[NH3+])c2ccc(Cl)cc2)C1 ZINC000417944175 531792772 /nfs/dbraw/zinc/79/27/72/531792772.db2.gz CAWILBFFVMRXDX-ZIAGYGMSSA-N 2 2 376.835 1.605 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NCC(F)(F)C[NH3+])[nH+]c12 ZINC000418020479 531799423 /nfs/dbraw/zinc/79/94/23/531799423.db2.gz NIRDXAKOECQIHQ-UHFFFAOYSA-N 2 2 376.205 1.798 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@H]3CCC[NH2+]C3)[nH+]c12 ZINC000418027033 531800252 /nfs/dbraw/zinc/80/02/52/531800252.db2.gz WXSNKORISJEJIX-ZDUSSCGKSA-N 2 2 380.290 1.999 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCc2cc(Br)c3c(c2)OCCO3)[C@H](C[NH3+])C1 ZINC000563610170 531856417 /nfs/dbraw/zinc/85/64/17/531856417.db2.gz ANXAFPRSZNUVMM-GFCCVEGCSA-N 2 2 399.289 1.005 20 0 GDADLP C[NH+](C)C[C@H](NC[C@@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983480 531920615 /nfs/dbraw/zinc/92/06/15/531920615.db2.gz RJRXBYUSDUOAID-PBHICJAKSA-N 2 2 376.328 1.879 20 0 GDADLP COc1cc(Br)ccc1CCCNC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000568730795 531915385 /nfs/dbraw/zinc/91/53/85/531915385.db2.gz LWZSJTJYNOJWJH-OAHLLOKOSA-N 2 2 399.333 1.675 20 0 GDADLP COc1cc(Br)ccc1CCCNC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000568730795 531915388 /nfs/dbraw/zinc/91/53/88/531915388.db2.gz LWZSJTJYNOJWJH-OAHLLOKOSA-N 2 2 399.333 1.675 20 0 GDADLP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000271298162 531999687 /nfs/dbraw/zinc/99/96/87/531999687.db2.gz OECZHTRQNXUJIX-CQSZACIVSA-N 2 2 387.571 1.640 20 0 GDADLP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000271298162 531999693 /nfs/dbraw/zinc/99/96/93/531999693.db2.gz OECZHTRQNXUJIX-CQSZACIVSA-N 2 2 387.571 1.640 20 0 GDADLP Cc1c(Br)cncc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000657368525 532005649 /nfs/dbraw/zinc/00/56/49/532005649.db2.gz YAMYSDDPKPEROX-HNNXBMFYSA-N 2 2 397.317 1.175 20 0 GDADLP O=C(NCCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422856740 532067983 /nfs/dbraw/zinc/06/79/83/532067983.db2.gz GASKDXRVHZFFHY-IAGOWNOFSA-N 2 2 396.329 1.926 20 0 GDADLP CC1(C)[NH2+]CC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333284848 532227969 /nfs/dbraw/zinc/22/79/69/532227969.db2.gz IFOBJRZDTXSOEB-ZDUSSCGKSA-N 2 2 398.305 1.943 20 0 GDADLP C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)[C@@H](C)C[NH2+]1 ZINC000333356226 532230725 /nfs/dbraw/zinc/23/07/25/532230725.db2.gz SASXQRGVCQTVSU-NEPJUHHUSA-N 2 2 398.305 1.895 20 0 GDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545385 532251723 /nfs/dbraw/zinc/25/17/23/532251723.db2.gz QBZCACJBWSMSGB-CHWSQXEVSA-N 2 2 397.317 1.563 20 0 GDADLP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430545385 532251726 /nfs/dbraw/zinc/25/17/26/532251726.db2.gz QBZCACJBWSMSGB-CHWSQXEVSA-N 2 2 397.317 1.563 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+](C)C1CC[NH2+]CC1 ZINC000430589138 532252083 /nfs/dbraw/zinc/25/20/83/532252083.db2.gz CGKZZTBVQIFIQD-UHFFFAOYSA-N 2 2 384.318 1.970 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430589138 532252087 /nfs/dbraw/zinc/25/20/87/532252087.db2.gz CGKZZTBVQIFIQD-UHFFFAOYSA-N 2 2 384.318 1.970 20 0 GDADLP C[C@H]1C[N@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000430938005 532258378 /nfs/dbraw/zinc/25/83/78/532258378.db2.gz GHLBJUWEDZXFHP-XJKSGUPXSA-N 2 2 384.318 1.955 20 0 GDADLP C[C@H]1C[N@@H+](CC(=O)N(C)CCOc2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000430938005 532258381 /nfs/dbraw/zinc/25/83/81/532258381.db2.gz GHLBJUWEDZXFHP-XJKSGUPXSA-N 2 2 384.318 1.955 20 0 GDADLP [NH3+]CC1(O)CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000397032513 532302190 /nfs/dbraw/zinc/30/21/90/532302190.db2.gz MBCYXECDIYLSQO-UHFFFAOYSA-N 2 2 376.682 1.827 20 0 GDADLP Cc1c(O)ccc2c(C[NH+]3CCC(O)(C[NH+]4CCOCC4)CC3)cc(=O)oc12 ZINC000359995664 209210819 /nfs/dbraw/zinc/21/08/19/209210819.db2.gz DMSLTESFVYUHRX-UHFFFAOYSA-N 2 2 388.464 1.466 20 0 GDADLP CCn1cc[nH+]c1CN(C(=O)c1ccc(C(N)=O)cc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000578113008 570539673 /nfs/dbraw/zinc/53/96/73/570539673.db2.gz SLSTULFDULZCLY-QGZVFWFLSA-N 2 2 381.480 1.786 20 0 GDADLP C[NH+]1CCC(CNC(=O)c2ccc(-c3nn[nH]n3)cc2)([NH+]2CCCCC2)CC1 ZINC000736850044 599231138 /nfs/dbraw/zinc/23/11/38/599231138.db2.gz YEMKQGQDTYOPSF-UHFFFAOYSA-N 2 2 383.500 1.547 20 0 GDADLP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855380 598516604 /nfs/dbraw/zinc/51/66/04/598516604.db2.gz GIBJUSKNNBMKGO-QGZVFWFLSA-N 2 2 398.515 1.036 20 0 GDADLP C[N@H+]1CCC[C@H](CNC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000736855380 598516605 /nfs/dbraw/zinc/51/66/05/598516605.db2.gz GIBJUSKNNBMKGO-QGZVFWFLSA-N 2 2 398.515 1.036 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133760 598786588 /nfs/dbraw/zinc/78/65/88/598786588.db2.gz SAIQOLCPIFRMHV-WDEREUQCSA-N 2 2 398.496 1.545 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330726 607638103 /nfs/dbraw/zinc/63/81/03/607638103.db2.gz FYCVRDMDXGTDBL-ZWKOTPCHSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330726 607638104 /nfs/dbraw/zinc/63/81/04/607638104.db2.gz FYCVRDMDXGTDBL-ZWKOTPCHSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330798 607638889 /nfs/dbraw/zinc/63/88/89/607638889.db2.gz IPWVPWVWNPBVTM-DZGCQCFKSA-N 2 2 398.496 1.703 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCN(c2sccc2-c2nn[nH]n2)C1=O ZINC000826330798 607638891 /nfs/dbraw/zinc/63/88/91/607638891.db2.gz IPWVPWVWNPBVTM-DZGCQCFKSA-N 2 2 398.496 1.703 20 0 GDADLP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)s3)cc2)CC1 ZINC000821627285 606409504 /nfs/dbraw/zinc/40/95/04/606409504.db2.gz VKFFGHWZGDFYJN-UHFFFAOYSA-N 2 2 397.508 1.606 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822477629 606622302 /nfs/dbraw/zinc/62/23/02/606622302.db2.gz NGGJOOJBHSYSOS-QGZVFWFLSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccc(-c2nn[nH]n2)cc1 ZINC000822477629 606622303 /nfs/dbraw/zinc/62/23/03/606622303.db2.gz NGGJOOJBHSYSOS-QGZVFWFLSA-N 2 2 380.456 1.865 20 0 GDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)CC1 ZINC000820684891 606966036 /nfs/dbraw/zinc/96/60/36/606966036.db2.gz STRHKMGZHFWQQT-HZPDHXFCSA-N 2 2 387.507 1.996 20 0 GDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363873 608079660 /nfs/dbraw/zinc/07/96/60/608079660.db2.gz DVHSFCMVBODHCB-AWEZNQCLSA-N 2 2 377.412 1.640 20 0 GDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363873 608079661 /nfs/dbraw/zinc/07/96/61/608079661.db2.gz DVHSFCMVBODHCB-AWEZNQCLSA-N 2 2 377.412 1.640 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCCN(CC[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000826513964 608571270 /nfs/dbraw/zinc/57/12/70/608571270.db2.gz CHMCLKXEBBLSIK-BGYRXZFFSA-N 2 2 397.527 1.238 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCCN(CC[N@@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000826513964 608571272 /nfs/dbraw/zinc/57/12/72/608571272.db2.gz CHMCLKXEBBLSIK-BGYRXZFFSA-N 2 2 397.527 1.238 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000826513964 608571274 /nfs/dbraw/zinc/57/12/74/608571274.db2.gz CHMCLKXEBBLSIK-BGYRXZFFSA-N 2 2 397.527 1.238 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(CC[NH+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000826513964 608571275 /nfs/dbraw/zinc/57/12/75/608571275.db2.gz CHMCLKXEBBLSIK-BGYRXZFFSA-N 2 2 397.527 1.238 20 0 GDADLP CS[C@@H]1CN(CC(=O)Nc2nc(C[NH+]3CCCC3)cs2)C[C@@H]1[NH+](C)C ZINC000539492632 650335821 /nfs/dbraw/zinc/33/58/21/650335821.db2.gz FVZDLBYVGDYWIW-LSDHHAIUSA-N 2 2 383.587 1.655 20 0 GDADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCc2[nH]cc[nH+]2)CC1 ZINC000565347874 650792694 /nfs/dbraw/zinc/79/26/94/650792694.db2.gz MCIYAWUMIZARSG-UHFFFAOYSA-N 2 2 393.289 1.890 20 0 GDADLP O=C(NCCN1CC[NH2+]CC1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000565419894 650795969 /nfs/dbraw/zinc/79/59/69/650795969.db2.gz LDXKKCMHYNBDOB-QGZVFWFLSA-N 2 2 395.345 1.607 20 0 GDADLP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528462 646128187 /nfs/dbraw/zinc/12/81/87/646128187.db2.gz WOYJUVOHEDNQHD-CMPLNLGQSA-N 2 2 377.245 1.985 20 0 GDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000515063314 648478691 /nfs/dbraw/zinc/47/86/91/648478691.db2.gz RVZQWLOROYIHHN-HUUCEWRRSA-N 2 2 386.327 1.897 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664663 648532054 /nfs/dbraw/zinc/53/20/54/648532054.db2.gz PETSKRSRQWATDT-CVEARBPZSA-N 2 2 390.285 1.379 20 0 GDADLP [NH3+][C@H]1C[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664663 648532058 /nfs/dbraw/zinc/53/20/58/648532058.db2.gz PETSKRSRQWATDT-CVEARBPZSA-N 2 2 390.285 1.379 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ncc(Cl)cc2Br)CC1 ZINC000527654637 648708226 /nfs/dbraw/zinc/70/82/26/648708226.db2.gz UGVBBTYNSPDWLP-UHFFFAOYSA-N 2 2 375.698 1.751 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)COc1ccc(Br)cc1F ZINC000617768466 652976319 /nfs/dbraw/zinc/97/63/19/652976319.db2.gz FHMZCIFMBYOWRS-UHFFFAOYSA-N 2 2 390.297 1.967 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)COc1ccc(Br)cc1F ZINC000617768466 652976321 /nfs/dbraw/zinc/97/63/21/652976321.db2.gz FHMZCIFMBYOWRS-UHFFFAOYSA-N 2 2 390.297 1.967 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000647835240 653635655 /nfs/dbraw/zinc/63/56/55/653635655.db2.gz RURSTRIEFBUVGH-UHFFFAOYSA-N 2 2 376.835 1.717 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000647835240 653635659 /nfs/dbraw/zinc/63/56/59/653635659.db2.gz RURSTRIEFBUVGH-UHFFFAOYSA-N 2 2 376.835 1.717 20 0 GDADLP Cn1cc(Br)c(CNC(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000652370717 653889249 /nfs/dbraw/zinc/88/92/49/653889249.db2.gz LNSHUGASRBGVTK-GFCCVEGCSA-N 2 2 399.337 1.150 20 0 GDADLP Cn1cc(Br)c(CNC(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)n1 ZINC000652370717 653889253 /nfs/dbraw/zinc/88/92/53/653889253.db2.gz LNSHUGASRBGVTK-GFCCVEGCSA-N 2 2 399.337 1.150 20 0 GDADLP C[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480383 654295764 /nfs/dbraw/zinc/29/57/64/654295764.db2.gz RUYULOVDLAPMMQ-BBRMVZONSA-N 2 2 383.334 1.449 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)N1CC[NH+](C)CC1 ZINC000662479409 654295796 /nfs/dbraw/zinc/29/57/96/654295796.db2.gz HWFNXUFDAZWCMB-IRXDYDNUSA-N 2 2 397.361 1.837 20 0 GDADLP Cc1cc(Br)cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC000774990284 654650662 /nfs/dbraw/zinc/65/06/62/654650662.db2.gz SDKLRSTXTOPXLV-QGZVFWFLSA-N 2 2 396.329 1.780 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000866707869 655955614 /nfs/dbraw/zinc/95/56/14/655955614.db2.gz BTZUAVHERHQXET-GLQYFDAESA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(F)c(Br)c2)C1 ZINC000866707869 655955615 /nfs/dbraw/zinc/95/56/15/655955615.db2.gz BTZUAVHERHQXET-GLQYFDAESA-N 2 2 384.249 1.955 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000866929164 655978485 /nfs/dbraw/zinc/97/84/85/655978485.db2.gz BDRFRPZXUWTRLN-UHFFFAOYSA-N 2 2 394.607 1.087 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000870900797 656254364 /nfs/dbraw/zinc/25/43/64/656254364.db2.gz WTLFRXGSKBFTQM-CZUORRHYSA-N 2 2 382.302 1.630 20 0 GDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903280 656254420 /nfs/dbraw/zinc/25/44/20/656254420.db2.gz UQWUNQICXGACIN-PBHICJAKSA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903280 656254423 /nfs/dbraw/zinc/25/44/23/656254423.db2.gz UQWUNQICXGACIN-PBHICJAKSA-N 2 2 397.361 1.839 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(Br)c1 ZINC000870900798 656254451 /nfs/dbraw/zinc/25/44/51/656254451.db2.gz WTLFRXGSKBFTQM-XJKSGUPXSA-N 2 2 382.302 1.630 20 0 GDADLP CCn1ncc(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000874468392 656473674 /nfs/dbraw/zinc/47/36/74/656473674.db2.gz IRYJBZKSFLLBHP-UHFFFAOYSA-N 2 2 386.338 1.764 20 0 GDADLP CCn1ncc(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000874468392 656473676 /nfs/dbraw/zinc/47/36/76/656473676.db2.gz IRYJBZKSFLLBHP-UHFFFAOYSA-N 2 2 386.338 1.764 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc(Br)c1 ZINC000876709781 656626102 /nfs/dbraw/zinc/62/61/02/656626102.db2.gz ZXCIOZMPLRGGQL-JKSUJKDBSA-N 2 2 382.302 1.772 20 0 GDADLP C[NH+]1CCN(C2CC[NH+](Cc3cnn4cc(Br)cnc34)CC2)CC1 ZINC000877746327 656690447 /nfs/dbraw/zinc/69/04/47/656690447.db2.gz MRRMTWDTPPKHDQ-UHFFFAOYSA-N 2 2 393.333 1.704 20 0 GDADLP C[NH+]1CCC(NC(=O)C[N@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000878509866 656729271 /nfs/dbraw/zinc/72/92/71/656729271.db2.gz XHFRRKSLOBXEEI-UHFFFAOYSA-N 2 2 390.347 1.515 20 0 GDADLP C[NH+]1CCC(NC(=O)C[N@@H+](CCO)Cc2cc(Br)cs2)CC1 ZINC000878509866 656729277 /nfs/dbraw/zinc/72/92/77/656729277.db2.gz XHFRRKSLOBXEEI-UHFFFAOYSA-N 2 2 390.347 1.515 20 0 GDADLP C[N@@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1ccccc1Br ZINC000878692241 656742325 /nfs/dbraw/zinc/74/23/25/656742325.db2.gz XVVRKSNBFZPQDU-MRXNPFEDSA-N 2 2 384.318 1.625 20 0 GDADLP C[N@H+](CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1ccccc1Br ZINC000878692241 656742327 /nfs/dbraw/zinc/74/23/27/656742327.db2.gz XVVRKSNBFZPQDU-MRXNPFEDSA-N 2 2 384.318 1.625 20 0 GDADLP Cn1nc(Br)cc1NC(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000879643300 656815216 /nfs/dbraw/zinc/81/52/16/656815216.db2.gz GVGNMCFCKRTELE-UHFFFAOYSA-N 2 2 399.337 1.863 20 0 GDADLP C[N@@H+]1CC[C@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000931671401 657119448 /nfs/dbraw/zinc/11/94/48/657119448.db2.gz GMCBIGCBLRATGV-ZDUSSCGKSA-N 2 2 397.321 1.422 20 0 GDADLP C[N@H+]1CC[C@H]1CNC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000931671401 657119451 /nfs/dbraw/zinc/11/94/51/657119451.db2.gz GMCBIGCBLRATGV-ZDUSSCGKSA-N 2 2 397.321 1.422 20 0 GDADLP Cn1ncc(Br)c1CC(=O)Nc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000913665000 660091465 /nfs/dbraw/zinc/09/14/65/660091465.db2.gz DAONJBVQLXPSRR-UHFFFAOYSA-N 2 2 393.289 1.511 20 0 GDADLP CCN(CC)c1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc[nH+]1 ZINC001164751741 720959752 /nfs/dbraw/zinc/95/97/52/720959752.db2.gz SWKIIWMSYFYTDB-UHFFFAOYSA-N 2 2 387.488 1.165 20 0 GDADLP CCN(CC)c1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)[nH+]cn1 ZINC001164751741 720959762 /nfs/dbraw/zinc/95/97/62/720959762.db2.gz SWKIIWMSYFYTDB-UHFFFAOYSA-N 2 2 387.488 1.165 20 0 GDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCc2onc(C(=O)NCC[NH+](C)C)c2C1 ZINC001164749815 720961974 /nfs/dbraw/zinc/96/19/74/720961974.db2.gz HGDJCGKOBGVYAW-UHFFFAOYSA-N 2 2 386.456 1.191 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164769129 721082767 /nfs/dbraw/zinc/08/27/67/721082767.db2.gz OIGYTJLYZHCMBP-QZTJIDSGSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@H]3C2)cn1 ZINC001164769129 721082770 /nfs/dbraw/zinc/08/27/70/721082770.db2.gz OIGYTJLYZHCMBP-QZTJIDSGSA-N 2 2 383.500 1.005 20 0 GDADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)COCC[N@H+](CC(=O)N(C)C)C2 ZINC001164870248 721271911 /nfs/dbraw/zinc/27/19/11/721271911.db2.gz UVSCSVLXRLJFCI-UHFFFAOYSA-N 2 2 376.501 1.406 20 0 GDADLP COc1ccc(C)[nH+]c1N1CCC2(CC1)COCC[N@@H+](CC(=O)N(C)C)C2 ZINC001164870248 721271915 /nfs/dbraw/zinc/27/19/15/721271915.db2.gz UVSCSVLXRLJFCI-UHFFFAOYSA-N 2 2 376.501 1.406 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4COC[C@@]4(CC(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164898734 721482727 /nfs/dbraw/zinc/48/27/27/721482727.db2.gz WVAUPVIMEXXHFI-XMSQKQJNSA-N 2 2 399.539 1.203 20 0 GDADLP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295398 946161518 /nfs/dbraw/zinc/16/15/18/946161518.db2.gz RSGMKSUJXDWCNB-ZFWWWQNUSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295398 946161527 /nfs/dbraw/zinc/16/15/27/946161527.db2.gz RSGMKSUJXDWCNB-ZFWWWQNUSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295398 946161533 /nfs/dbraw/zinc/16/15/33/946161533.db2.gz RSGMKSUJXDWCNB-ZFWWWQNUSA-N 2 2 389.529 1.492 20 0 GDADLP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571295398 946161540 /nfs/dbraw/zinc/16/15/40/946161540.db2.gz RSGMKSUJXDWCNB-ZFWWWQNUSA-N 2 2 389.529 1.492 20 0 GDADLP O=C(N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)[C@H]1CCn2c[nH+]cc2C1 ZINC001571317860 946624371 /nfs/dbraw/zinc/62/43/71/946624371.db2.gz XRHPFKHWLYDYLG-CWRNSKLLSA-N 2 2 392.467 1.063 20 0 GDADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000824670589 946890938 /nfs/dbraw/zinc/89/09/38/946890938.db2.gz RWPRXQZUBGWVQB-FQEVSTJZSA-N 2 2 382.468 1.921 20 0 GDADLP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060236 947421806 /nfs/dbraw/zinc/42/18/06/947421806.db2.gz IYHDYLFOTXKZLY-MSOLQXFVSA-N 2 2 383.500 1.335 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920939 948913778 /nfs/dbraw/zinc/91/37/78/948913778.db2.gz RMAFAGWZKHKZNE-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccccc1-c1nn[nH]n1 ZINC001574920939 948913792 /nfs/dbraw/zinc/91/37/92/948913792.db2.gz RMAFAGWZKHKZNE-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cc[nH+]c1 ZINC001573812735 949621699 /nfs/dbraw/zinc/62/16/99/949621699.db2.gz TWBFTGQCAFRPLW-CQSZACIVSA-N 2 2 388.501 1.445 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575282383 949834669 /nfs/dbraw/zinc/83/46/69/949834669.db2.gz BDJKCHRHNAOWNK-ZDUSSCGKSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574726354 949938179 /nfs/dbraw/zinc/93/81/79/949938179.db2.gz ZUZMQYGVFFTITR-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285928 949964690 /nfs/dbraw/zinc/96/46/90/949964690.db2.gz RWRRJNMCEGGQOJ-GFCCVEGCSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575285928 949964708 /nfs/dbraw/zinc/96/47/08/949964708.db2.gz RWRRJNMCEGGQOJ-GFCCVEGCSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202891 950438886 /nfs/dbraw/zinc/43/88/86/950438886.db2.gz FBZFBVWTWBNPFS-CABCVRRESA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202891 950438897 /nfs/dbraw/zinc/43/88/97/950438897.db2.gz FBZFBVWTWBNPFS-CABCVRRESA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001575915858 950525329 /nfs/dbraw/zinc/52/53/29/950525329.db2.gz XQGATNBKLSXDPV-GUYCJALGSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001574513578 950616597 /nfs/dbraw/zinc/61/65/97/950616597.db2.gz UKZJTVSADFAVGU-CHWSQXEVSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574522196 950792969 /nfs/dbraw/zinc/79/29/69/950792969.db2.gz JJCPAFFJJIOUDE-CHWSQXEVSA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[NH+]1C ZINC001574771570 950925762 /nfs/dbraw/zinc/92/57/62/950925762.db2.gz GRUUYBYBZMMFNT-MLGOLLRUSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[NH+]1C ZINC001574771570 950925777 /nfs/dbraw/zinc/92/57/77/950925777.db2.gz GRUUYBYBZMMFNT-MLGOLLRUSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001574771570 950925790 /nfs/dbraw/zinc/92/57/90/950925790.db2.gz GRUUYBYBZMMFNT-MLGOLLRUSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCC[N@H+]1C ZINC001574771570 950925815 /nfs/dbraw/zinc/92/58/15/950925815.db2.gz GRUUYBYBZMMFNT-MLGOLLRUSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575201528 952505620 /nfs/dbraw/zinc/50/56/20/952505620.db2.gz IMJPNSAKRBCDRJ-CZUORRHYSA-N 2 2 380.456 1.159 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202429 952513077 /nfs/dbraw/zinc/51/30/77/952513077.db2.gz NPVMIERNGBPLMS-HBUWYVDXSA-N 2 2 394.483 1.405 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001571170501 952787146 /nfs/dbraw/zinc/78/71/46/952787146.db2.gz VLMYUISABVBECL-QGZVFWFLSA-N 2 2 380.456 1.186 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCCN1C(=O)Cn1cc[nH+]c1 ZINC001571170501 952787154 /nfs/dbraw/zinc/78/71/54/952787154.db2.gz VLMYUISABVBECL-QGZVFWFLSA-N 2 2 380.456 1.186 20 0 GDADLP O=C(Cc1[nH]cc[nH+]1)N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571172226 952803943 /nfs/dbraw/zinc/80/39/43/952803943.db2.gz PYZDLCPMPARKCM-HZPDHXFCSA-N 2 2 380.456 1.350 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCCN1CC[NH+](CCO)CC1 ZINC000168924569 530585542 /nfs/dbraw/zinc/58/55/42/530585542.db2.gz HPRZBRVEZJPGFG-HNNXBMFYSA-N 2 2 388.354 1.014 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2cccc(Br)c2)CN1CC[NH+]1CCOCC1 ZINC000172698101 530616849 /nfs/dbraw/zinc/61/68/49/530616849.db2.gz IXIMCIQKBXHAJK-INIZCTEOSA-N 2 2 382.302 1.472 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2ccc(Br)cc2)CN1CC[NH+]1CCOCC1 ZINC000172697397 530616973 /nfs/dbraw/zinc/61/69/73/530616973.db2.gz RREDPPRFENTDQF-MRXNPFEDSA-N 2 2 382.302 1.472 20 0 GDADLP Cc1ccc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000048783891 530671241 /nfs/dbraw/zinc/67/12/41/530671241.db2.gz WYJFHTHLWDUOIQ-UHFFFAOYSA-N 2 2 380.539 1.693 20 0 GDADLP C[C@@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000180465563 530766590 /nfs/dbraw/zinc/76/65/90/530766590.db2.gz FYYPEPXVTHFYHJ-GFCCVEGCSA-N 2 2 398.301 1.645 20 0 GDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261797584 531099441 /nfs/dbraw/zinc/09/94/41/531099441.db2.gz QRKZUXZEZCSPMT-DCGLDWPTSA-N 2 2 384.318 1.537 20 0 GDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261797584 531099444 /nfs/dbraw/zinc/09/94/44/531099444.db2.gz QRKZUXZEZCSPMT-DCGLDWPTSA-N 2 2 384.318 1.537 20 0 GDADLP O=C(C[N@@H+]1CCS[C@@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000135566199 531110050 /nfs/dbraw/zinc/11/00/50/531110050.db2.gz CADCODOBOAIGMW-DLBZAZTESA-N 2 2 381.567 1.599 20 0 GDADLP O=C(C[N@H+]1CCS[C@@H]2COCC[C@@H]21)N1CC[NH+](Cc2ccsc2)CC1 ZINC000135566199 531110054 /nfs/dbraw/zinc/11/00/54/531110054.db2.gz CADCODOBOAIGMW-DLBZAZTESA-N 2 2 381.567 1.599 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000436052189 531274073 /nfs/dbraw/zinc/27/40/73/531274073.db2.gz CFIFCYOSKMUUSU-ZDUSSCGKSA-N 2 2 398.305 1.102 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)Nc1ccc(Br)cn1 ZINC000436052189 531274077 /nfs/dbraw/zinc/27/40/77/531274077.db2.gz CFIFCYOSKMUUSU-ZDUSSCGKSA-N 2 2 398.305 1.102 20 0 GDADLP C[C@@H]([NH3+])[C@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910488 531427179 /nfs/dbraw/zinc/42/71/79/531427179.db2.gz VELDDGCBHSGJLG-NEPJUHHUSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000484910488 531427182 /nfs/dbraw/zinc/42/71/82/531427182.db2.gz VELDDGCBHSGJLG-NEPJUHHUSA-N 2 2 383.290 1.173 20 0 GDADLP Brc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)c(N2CCOCC2)c1 ZINC000415033843 531465396 /nfs/dbraw/zinc/46/53/96/531465396.db2.gz HLHNGGVKUXTBBI-MRXNPFEDSA-N 2 2 384.318 1.754 20 0 GDADLP Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658427389 531508801 /nfs/dbraw/zinc/50/88/01/531508801.db2.gz CMBADPNKLGWMCM-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1ccc(Br)c(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658427389 531508807 /nfs/dbraw/zinc/50/88/07/531508807.db2.gz CMBADPNKLGWMCM-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000557137583 531509439 /nfs/dbraw/zinc/50/94/39/531509439.db2.gz BHXGTUYMHJRISJ-GFCCVEGCSA-N 2 2 375.698 1.887 20 0 GDADLP C[N@H+]1CCN(C(=O)NCc2ccc(Br)cc2Cl)[C@H](C[NH3+])C1 ZINC000557137583 531509445 /nfs/dbraw/zinc/50/94/45/531509445.db2.gz BHXGTUYMHJRISJ-GFCCVEGCSA-N 2 2 375.698 1.887 20 0 GDADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)Cn3cccn3)[nH+]c12 ZINC000582177365 531539842 /nfs/dbraw/zinc/53/98/42/531539842.db2.gz RAWFWVVBDQNRTA-HNNXBMFYSA-N 2 2 378.274 1.795 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000268823275 531575467 /nfs/dbraw/zinc/57/54/67/531575467.db2.gz HQXXPTXQYXEXGZ-HIFRSBDPSA-N 2 2 386.338 1.566 20 0 GDADLP C[C@H](Cn1cc(Br)cn1)[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000268823275 531575471 /nfs/dbraw/zinc/57/54/71/531575471.db2.gz HQXXPTXQYXEXGZ-HIFRSBDPSA-N 2 2 386.338 1.566 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+][C@@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583806550 531595949 /nfs/dbraw/zinc/59/59/49/531595949.db2.gz XCOKBKZAMNUYMN-IVMMDQJWSA-N 2 2 382.302 1.911 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181774 531647679 /nfs/dbraw/zinc/64/76/79/531647679.db2.gz OCNHIMQPDMADGR-FVQBIDKESA-N 2 2 387.933 1.671 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181774 531647683 /nfs/dbraw/zinc/64/76/83/531647683.db2.gz OCNHIMQPDMADGR-FVQBIDKESA-N 2 2 387.933 1.671 20 0 GDADLP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000639184989 531684294 /nfs/dbraw/zinc/68/42/94/531684294.db2.gz BYZPQQUJGKHAIX-UHFFFAOYSA-N 2 2 384.527 1.411 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417229670 531761974 /nfs/dbraw/zinc/76/19/74/531761974.db2.gz XZMPZCAEGQYQIB-VXGBXAGGSA-N 2 2 378.274 1.848 20 0 GDADLP Cc1sccc1C[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000562768680 531777999 /nfs/dbraw/zinc/77/79/99/531777999.db2.gz LPIKFKHZDNRYCV-UHFFFAOYSA-N 2 2 380.539 1.693 20 0 GDADLP C[N@H+]1CCN(C(=O)Nc2cc(Br)cnc2-n2cccn2)[C@@H](C[NH3+])C1 ZINC000667374807 531778502 /nfs/dbraw/zinc/77/85/02/531778502.db2.gz WFFWQUHZQGHFTN-LBPRGKRZSA-N 2 2 394.277 1.136 20 0 GDADLP CN(C)S(=O)(=O)N1CC([NH2+]C2CC[NH+](Cc3ccccc3Cl)CC2)C1 ZINC000623794194 531824345 /nfs/dbraw/zinc/82/43/45/531824345.db2.gz LHYYOGAEGIBVER-UHFFFAOYSA-N 2 2 386.949 1.385 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000563571835 531854896 /nfs/dbraw/zinc/85/48/96/531854896.db2.gz HCAMYVRNKKHCLU-ZBFHGGJFSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000563571835 531854902 /nfs/dbraw/zinc/85/49/02/531854902.db2.gz HCAMYVRNKKHCLU-ZBFHGGJFSA-N 2 2 396.333 1.312 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000369806745 531972917 /nfs/dbraw/zinc/97/29/17/531972917.db2.gz ZJIWBTLXLIEFQI-KRWDZBQOSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)CC1 ZINC000369806745 531972922 /nfs/dbraw/zinc/97/29/22/531972922.db2.gz ZJIWBTLXLIEFQI-KRWDZBQOSA-N 2 2 396.329 1.987 20 0 GDADLP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)CS1 ZINC000655716722 531975278 /nfs/dbraw/zinc/97/52/78/531975278.db2.gz YITFKFFVRYSKSO-DOTOQJQBSA-N 2 2 383.583 1.996 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccc1Cl ZINC000631090063 531996863 /nfs/dbraw/zinc/99/68/63/531996863.db2.gz FDDVZABGRGNLLV-HZPDHXFCSA-N 2 2 387.933 1.455 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)C[C@H]1COCC[NH2+]1 ZINC000423104976 532072722 /nfs/dbraw/zinc/07/27/22/532072722.db2.gz HVCYEOXSGQSLFP-ZFWWWQNUSA-N 2 2 375.922 1.283 20 0 GDADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1C[N@H+](C)CCO1 ZINC000425095221 532118310 /nfs/dbraw/zinc/11/83/10/532118310.db2.gz AQWBPBXSCUYLKP-MRXNPFEDSA-N 2 2 399.333 1.716 20 0 GDADLP CN(CC[NH+](C)C)c1ccc(Br)cc1NC(=O)[C@H]1C[N@@H+](C)CCO1 ZINC000425095221 532118318 /nfs/dbraw/zinc/11/83/18/532118318.db2.gz AQWBPBXSCUYLKP-MRXNPFEDSA-N 2 2 399.333 1.716 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000286418107 532148753 /nfs/dbraw/zinc/14/87/53/532148753.db2.gz IFLUSDCHCGMWEU-VIFPVBQESA-N 2 2 394.282 1.177 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000286418107 532148757 /nfs/dbraw/zinc/14/87/57/532148757.db2.gz IFLUSDCHCGMWEU-VIFPVBQESA-N 2 2 394.282 1.177 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000375744991 532181904 /nfs/dbraw/zinc/18/19/04/532181904.db2.gz UERJCEWYDXZJED-LBPRGKRZSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000375744991 532181908 /nfs/dbraw/zinc/18/19/08/532181908.db2.gz UERJCEWYDXZJED-LBPRGKRZSA-N 2 2 397.317 1.756 20 0 GDADLP C[C@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[C@H]1[NH3+] ZINC000333390188 532232176 /nfs/dbraw/zinc/23/21/76/532232176.db2.gz XILXDMAIGNKGAA-WCQYABFASA-N 2 2 398.305 1.882 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000738432766 598963208 /nfs/dbraw/zinc/96/32/08/598963208.db2.gz LNAIJCMBPCVLQP-SJORKVTESA-N 2 2 393.499 1.359 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000738432766 598963209 /nfs/dbraw/zinc/96/32/09/598963209.db2.gz LNAIJCMBPCVLQP-SJORKVTESA-N 2 2 393.499 1.359 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705133 599074787 /nfs/dbraw/zinc/07/47/87/599074787.db2.gz FRKLUNDPXAEREO-NVXWUHKLSA-N 2 2 380.456 1.489 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C(N)=O)c2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705133 599074790 /nfs/dbraw/zinc/07/47/90/599074790.db2.gz FRKLUNDPXAEREO-NVXWUHKLSA-N 2 2 380.456 1.489 20 0 GDADLP C[NH+](C)CCN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)CCCn1cc[nH+]c1 ZINC000736767890 598819267 /nfs/dbraw/zinc/81/92/67/598819267.db2.gz TUHJRNQTIZVNRZ-UHFFFAOYSA-N 2 2 382.472 1.434 20 0 GDADLP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000821817886 599397303 /nfs/dbraw/zinc/39/73/03/599397303.db2.gz AKDURXRLBCFGLU-UHFFFAOYSA-N 2 2 394.479 1.997 20 0 GDADLP Cc1[nH+]ccn1-c1ccc(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)cn1 ZINC000737501092 599486925 /nfs/dbraw/zinc/48/69/25/599486925.db2.gz IFWCFXCXLXQWTC-UHFFFAOYSA-N 2 2 386.423 1.693 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000822337204 599524354 /nfs/dbraw/zinc/52/43/54/599524354.db2.gz VIDGIAAXTIXTRJ-IRXDYDNUSA-N 2 2 379.468 1.759 20 0 GDADLP CC[C@H](C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](CC)CC ZINC000820842620 599695752 /nfs/dbraw/zinc/69/57/52/599695752.db2.gz OLNGGKTUKLBYFW-GOSISDBHSA-N 2 2 385.516 1.631 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000822332837 606227556 /nfs/dbraw/zinc/22/75/56/606227556.db2.gz UMKAAXOIWJMXJU-RHSMWYFYSA-N 2 2 379.468 1.880 20 0 GDADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1sccc1-c1nn[nH]n1 ZINC000823503084 606323552 /nfs/dbraw/zinc/32/35/52/606323552.db2.gz AWZCCSGXWJQIRB-CQSZACIVSA-N 2 2 384.469 1.567 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478489 606617024 /nfs/dbraw/zinc/61/70/24/606617024.db2.gz SMEMJYYJCAJMEJ-DZGCQCFKSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478489 606617025 /nfs/dbraw/zinc/61/70/25/606617025.db2.gz SMEMJYYJCAJMEJ-DZGCQCFKSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822477178 606617448 /nfs/dbraw/zinc/61/74/48/606617448.db2.gz IVUSAXVDLXMUBE-CYBMUJFWSA-N 2 2 386.485 1.926 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1sccc1-c1nn[nH]n1 ZINC000822477178 606617450 /nfs/dbraw/zinc/61/74/50/606617450.db2.gz IVUSAXVDLXMUBE-CYBMUJFWSA-N 2 2 386.485 1.926 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822478110 606622391 /nfs/dbraw/zinc/62/23/91/606622391.db2.gz QUNFIGJFGPCARU-KRWDZBQOSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000822478110 606622393 /nfs/dbraw/zinc/62/23/93/606622393.db2.gz QUNFIGJFGPCARU-KRWDZBQOSA-N 2 2 380.456 1.865 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822478915 607236713 /nfs/dbraw/zinc/23/67/13/607236713.db2.gz VWGVFGLBXAQUGI-UHFFFAOYSA-N 2 2 380.500 1.970 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+]1CCCN(Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000822478915 607236714 /nfs/dbraw/zinc/23/67/14/607236714.db2.gz VWGVFGLBXAQUGI-UHFFFAOYSA-N 2 2 380.500 1.970 20 0 GDADLP C[N@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000826044721 608524972 /nfs/dbraw/zinc/52/49/72/608524972.db2.gz JPVVCRYFXXQDQK-UHFFFAOYSA-N 2 2 379.472 1.041 20 0 GDADLP C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000826044721 608524974 /nfs/dbraw/zinc/52/49/74/608524974.db2.gz JPVVCRYFXXQDQK-UHFFFAOYSA-N 2 2 379.472 1.041 20 0 GDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000564280688 650754025 /nfs/dbraw/zinc/75/40/25/650754025.db2.gz WXKFUPLIQWLIAI-HNNXBMFYSA-N 2 2 399.333 1.807 20 0 GDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000564280688 650754028 /nfs/dbraw/zinc/75/40/28/650754028.db2.gz WXKFUPLIQWLIAI-HNNXBMFYSA-N 2 2 399.333 1.807 20 0 GDADLP COC[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000246795006 645096384 /nfs/dbraw/zinc/09/63/84/645096384.db2.gz QQHQJQUKLMZNAU-QZTJIDSGSA-N 2 2 376.563 1.118 20 0 GDADLP COC[C@@H]1CCC[NH+](CCS(=O)(=O)CC[N@@H+]2CCC[C@@H](COC)C2)C1 ZINC000246795006 645096390 /nfs/dbraw/zinc/09/63/90/645096390.db2.gz QQHQJQUKLMZNAU-QZTJIDSGSA-N 2 2 376.563 1.118 20 0 GDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](CO)c2ccc(Br)cc2)CC1 ZINC000292082764 645201491 /nfs/dbraw/zinc/20/14/91/645201491.db2.gz DSNXTSZEAPQGHK-CJNGLKHVSA-N 2 2 384.318 1.625 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000570278594 651033292 /nfs/dbraw/zinc/03/32/92/651033292.db2.gz VCBDWEQNXKYUQG-UHFFFAOYSA-N 2 2 383.436 1.525 20 0 GDADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)Cn2cc[nH+]c2)CC1 ZINC000570605555 651046194 /nfs/dbraw/zinc/04/61/94/651046194.db2.gz IINRZIKFGHHPAQ-UHFFFAOYSA-N 2 2 379.262 1.431 20 0 GDADLP [NH3+]CC1(O)CC[NH+](Cc2nc(Cc3cccc(Br)c3)no2)CC1 ZINC000420404689 645942757 /nfs/dbraw/zinc/94/27/57/645942757.db2.gz NKRVUMLISMFQJP-UHFFFAOYSA-N 2 2 381.274 1.709 20 0 GDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422734516 646098650 /nfs/dbraw/zinc/09/86/50/646098650.db2.gz TYMSPHZYOZKSRY-HOTGVXAUSA-N 2 2 382.302 1.536 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]Cc1cc(C(F)(F)F)cc(S(C)(=O)=O)c1 ZINC000423098679 646113946 /nfs/dbraw/zinc/11/39/46/646113946.db2.gz DGHPJKNLSWZWJE-BXUZGUMPSA-N 2 2 380.432 1.966 20 0 GDADLP O[C@H](C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C[NH+]1CCCC1 ZINC000474347389 647759026 /nfs/dbraw/zinc/75/90/26/647759026.db2.gz FRUIXLXIXSZINL-QGZVFWFLSA-N 2 2 398.345 1.832 20 0 GDADLP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072749 651704036 /nfs/dbraw/zinc/70/40/36/651704036.db2.gz ARMSLZNFCQSKHK-TZMCWYRMSA-N 2 2 386.327 1.849 20 0 GDADLP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072749 651704041 /nfs/dbraw/zinc/70/40/41/651704041.db2.gz ARMSLZNFCQSKHK-TZMCWYRMSA-N 2 2 386.327 1.849 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](Nc3ncc(I)cn3)C2)CC1 ZINC000613274775 652958089 /nfs/dbraw/zinc/95/80/89/652958089.db2.gz BUAFFBAEHDRWPW-LBPRGKRZSA-N 2 2 387.269 1.662 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](Nc3ncc(I)cn3)C2)CC1 ZINC000613274775 652958090 /nfs/dbraw/zinc/95/80/90/652958090.db2.gz BUAFFBAEHDRWPW-LBPRGKRZSA-N 2 2 387.269 1.662 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3cc[nH]c(=O)c3Br)c2)CC1 ZINC000634194020 653488140 /nfs/dbraw/zinc/48/81/40/653488140.db2.gz QQUGMEMIJPLRMF-UHFFFAOYSA-N 2 2 392.257 1.949 20 0 GDADLP O=C([C@H]1C[NH2+]CCO1)N(CCn1cc[nH+]c1)Cc1ccccc1Br ZINC000646557598 653610740 /nfs/dbraw/zinc/61/07/40/653610740.db2.gz NQRCBWDBWFZQHH-MRXNPFEDSA-N 2 2 393.285 1.663 20 0 GDADLP C[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)C[NH+]1CCN(C)CC1 ZINC000662480389 654295738 /nfs/dbraw/zinc/29/57/38/654295738.db2.gz RUYULOVDLAPMMQ-XJKSGUPXSA-N 2 2 383.334 1.449 20 0 GDADLP O=C([C@@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493846 654339022 /nfs/dbraw/zinc/33/90/22/654339022.db2.gz LJHJYJKZWGSXTN-MRXNPFEDSA-N 2 2 394.313 1.787 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CSc2n[nH]c(=S)s2)CC1 ZINC000747369250 654783658 /nfs/dbraw/zinc/78/36/58/654783658.db2.gz SQXARRRSNFFCAJ-UHFFFAOYSA-N 2 2 382.540 1.704 20 0 GDADLP C[C@H]([NH3+])C[N@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000863566837 655875959 /nfs/dbraw/zinc/87/59/59/655875959.db2.gz RHBCHFSSZKJNPE-NSHDSACASA-N 2 2 376.910 1.198 20 0 GDADLP C[C@H]([NH3+])C[N@@H+](C)CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000863566837 655875961 /nfs/dbraw/zinc/87/59/61/655875961.db2.gz RHBCHFSSZKJNPE-NSHDSACASA-N 2 2 376.910 1.198 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870865886 656251097 /nfs/dbraw/zinc/25/10/97/656251097.db2.gz MRSPUIBVXZHUTH-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP Cn1cc[nH+]c1N1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870931794 656256360 /nfs/dbraw/zinc/25/63/60/656256360.db2.gz NGXWSCLSBIUJGJ-HNNXBMFYSA-N 2 2 392.301 1.968 20 0 GDADLP O=S(=O)(NCC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1cccc(Cl)c1Cl ZINC000925669643 656716209 /nfs/dbraw/zinc/71/62/09/656716209.db2.gz CWBIRTALCDVMMD-CKJIYCFSSA-N 2 2 390.336 1.858 20 0 GDADLP C[NH+](C)C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931080020 657069491 /nfs/dbraw/zinc/06/94/91/657069491.db2.gz DOOYLQAGNIYHRY-WFASDCNBSA-N 2 2 387.311 1.533 20 0 GDADLP C[NH+](C)C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@H+]1C)c1ccc(Cl)c(Cl)c1 ZINC000931080020 657069496 /nfs/dbraw/zinc/06/94/96/657069496.db2.gz DOOYLQAGNIYHRY-WFASDCNBSA-N 2 2 387.311 1.533 20 0 GDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884316225 657345104 /nfs/dbraw/zinc/34/51/04/657345104.db2.gz MPEKAPARXZKWOH-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914328044 660139660 /nfs/dbraw/zinc/13/96/60/660139660.db2.gz DYHWSBYZRVPAIA-CVEARBPZSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914328044 660139662 /nfs/dbraw/zinc/13/96/62/660139662.db2.gz DYHWSBYZRVPAIA-CVEARBPZSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914328044 660139663 /nfs/dbraw/zinc/13/96/63/660139663.db2.gz DYHWSBYZRVPAIA-CVEARBPZSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914328044 660139665 /nfs/dbraw/zinc/13/96/65/660139665.db2.gz DYHWSBYZRVPAIA-CVEARBPZSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(c1cccnc1N1CCC[C@@H]2[NH2+]C[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164450748 718997549 /nfs/dbraw/zinc/99/75/49/718997549.db2.gz ZSWYLLMRQQYEEK-SFTDATJTSA-N 2 2 391.519 1.980 20 0 GDADLP Cn1nnc2c1CCN(c1cc(N)cc(Cl)[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717056 720176380 /nfs/dbraw/zinc/17/63/80/720176380.db2.gz JVUDMQJXOXVWNE-HNNXBMFYSA-N 2 2 391.907 1.662 20 0 GDADLP Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164768677 721036870 /nfs/dbraw/zinc/03/68/70/721036870.db2.gz VJGSBJUYLXGSOZ-MSOLQXFVSA-N 2 2 395.511 1.060 20 0 GDADLP CC(C)[N@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001165007159 721693865 /nfs/dbraw/zinc/69/38/65/721693865.db2.gz BTFFVLABBXAXIH-UHFFFAOYSA-N 2 2 390.923 1.618 20 0 GDADLP CC(C)[N@@H+](C)Cc1nnc2n1CCCN(c1nc(Cl)nc3c1C[NH2+]CC3)C2 ZINC001165007159 721693867 /nfs/dbraw/zinc/69/38/67/721693867.db2.gz BTFFVLABBXAXIH-UHFFFAOYSA-N 2 2 390.923 1.618 20 0 GDADLP c1cncc(C[N@@H+]2CCOC[C@]3(CN(c4ccc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912707 721771541 /nfs/dbraw/zinc/77/15/41/721771541.db2.gz OTUGPUSFWQCPIH-JOCHJYFZSA-N 2 2 395.507 1.230 20 0 GDADLP c1cncc(C[N@H+]2CCOC[C@]3(CN(c4ccc5c(n4)CC[NH2+]C5)CCO3)C2)c1 ZINC001164912707 721771547 /nfs/dbraw/zinc/77/15/47/721771547.db2.gz OTUGPUSFWQCPIH-JOCHJYFZSA-N 2 2 395.507 1.230 20 0 GDADLP Cc1c[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1NC(C)C ZINC001164997084 722228780 /nfs/dbraw/zinc/22/87/80/722228780.db2.gz OLUFOYCEHKWNJS-UHFFFAOYSA-N 2 2 396.543 1.752 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C[C@@H]1C ZINC001571271423 945644237 /nfs/dbraw/zinc/64/42/37/945644237.db2.gz CGZPVBNBIHYZOH-WCQYABFASA-N 2 2 386.485 1.212 20 0 GDADLP CC(C)N1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000824296028 946647442 /nfs/dbraw/zinc/64/74/42/946647442.db2.gz CZRHGIQOAPOVAU-GOSISDBHSA-N 2 2 383.500 1.430 20 0 GDADLP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826060237 947422343 /nfs/dbraw/zinc/42/23/43/947422343.db2.gz IYHDYLFOTXKZLY-QZTJIDSGSA-N 2 2 383.500 1.335 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCOC[C@@H]2CCOC2)CC1 ZINC000826514130 948438677 /nfs/dbraw/zinc/43/86/77/948438677.db2.gz IFYZRKKCTPDKIS-QGZVFWFLSA-N 2 2 386.500 1.474 20 0 GDADLP C[C@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574918969 948863991 /nfs/dbraw/zinc/86/39/91/948863991.db2.gz SKLPMXJZCOVJPW-CYBMUJFWSA-N 2 2 386.435 1.277 20 0 GDADLP CC(C)(C(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573781073 949098214 /nfs/dbraw/zinc/09/82/14/949098214.db2.gz AZPUJVKDCTVGGT-UHFFFAOYSA-N 2 2 389.529 1.351 20 0 GDADLP CC(C)C[C@H](C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574124432 949569430 /nfs/dbraw/zinc/56/94/30/949569430.db2.gz HTLFYIMGYMSVKH-XJKSGUPXSA-N 2 2 383.460 1.084 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001573812260 949616135 /nfs/dbraw/zinc/61/61/35/949616135.db2.gz RCGWEVJSCFPFBR-MRXNPFEDSA-N 2 2 382.472 1.384 20 0 GDADLP C[C@@H](CN(C)C(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574717095 949724613 /nfs/dbraw/zinc/72/46/13/949724613.db2.gz UGJMTNWTTSTTAP-STQMWFEESA-N 2 2 388.501 1.713 20 0 GDADLP C[C@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574481405 949780551 /nfs/dbraw/zinc/78/05/51/949780551.db2.gz PJUGADHSXCBAID-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574720701 949800122 /nfs/dbraw/zinc/80/01/22/949800122.db2.gz GCSNNTDIHXECPF-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575286264 949976229 /nfs/dbraw/zinc/97/62/29/949976229.db2.gz VGIPYMQXXYXWSR-CQSZACIVSA-N 2 2 380.456 1.090 20 0 GDADLP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574151303 950071293 /nfs/dbraw/zinc/07/12/93/950071293.db2.gz OZHWZMVLXPSPKJ-MRXNPFEDSA-N 2 2 382.472 1.453 20 0 GDADLP CC1CC[NH+](CC(=O)N2CC[NH+](Cc3cccc(-c4nn[nH]n4)c3)CC2)CC1 ZINC001576202483 950430375 /nfs/dbraw/zinc/43/03/75/950430375.db2.gz ACRLUYCPSIVRTF-UHFFFAOYSA-N 2 2 383.500 1.243 20 0 GDADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098104 951819315 /nfs/dbraw/zinc/81/93/15/951819315.db2.gz ARIYCMRKTCZFNR-QWHCGFSZSA-N 2 2 388.501 1.618 20 0 GDADLP C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001575106993 951910342 /nfs/dbraw/zinc/91/03/42/951910342.db2.gz XAIMAYNIMRTVHK-IBGZPJMESA-N 2 2 380.456 1.207 20 0 GDADLP O=C(Cc1c[nH]c[nH+]1)N[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571171770 952796899 /nfs/dbraw/zinc/79/68/99/952796899.db2.gz GHBYWRLPSCWMAG-DOTOQJQBSA-N 2 2 380.456 1.207 20 0 GDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571234040 953198289 /nfs/dbraw/zinc/19/82/89/953198289.db2.gz LFXNNFBDUIZXDB-BZSNNMDCSA-N 2 2 383.500 1.238 20 0 GDADLP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1cccc(-c2nn[nH]n2)c1)[NH+](C)C ZINC001571234040 953198291 /nfs/dbraw/zinc/19/82/91/953198291.db2.gz LFXNNFBDUIZXDB-BZSNNMDCSA-N 2 2 383.500 1.238 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235220 953210923 /nfs/dbraw/zinc/21/09/23/953210923.db2.gz XKYNUMIMVSARGD-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235220 953210927 /nfs/dbraw/zinc/21/09/27/953210927.db2.gz XKYNUMIMVSARGD-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235220 953210932 /nfs/dbraw/zinc/21/09/32/953210932.db2.gz XKYNUMIMVSARGD-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571235220 953210936 /nfs/dbraw/zinc/21/09/36/953210936.db2.gz XKYNUMIMVSARGD-ZWKOTPCHSA-N 2 2 383.500 1.432 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2cc(Br)cs2)CN1CC[NH+]1CCOCC1 ZINC000172697712 530617179 /nfs/dbraw/zinc/61/71/79/530617179.db2.gz VHHGGNGLOSANFZ-CYBMUJFWSA-N 2 2 388.331 1.533 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1F ZINC000181061315 530776734 /nfs/dbraw/zinc/77/67/34/530776734.db2.gz GGYFFRQUNRNVID-UHFFFAOYSA-N 2 2 375.485 1.752 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)Cc1c(F)cccc1F ZINC000181061315 530776737 /nfs/dbraw/zinc/77/67/37/530776737.db2.gz GGYFFRQUNRNVID-UHFFFAOYSA-N 2 2 375.485 1.752 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000262039391 531105564 /nfs/dbraw/zinc/10/55/64/531105564.db2.gz OXLUUNAPDHHGQM-ZDUSSCGKSA-N 2 2 398.301 1.997 20 0 GDADLP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000262039391 531105566 /nfs/dbraw/zinc/10/55/66/531105566.db2.gz OXLUUNAPDHHGQM-ZDUSSCGKSA-N 2 2 398.301 1.997 20 0 GDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709808 531234699 /nfs/dbraw/zinc/23/46/99/531234699.db2.gz GMKRZWVPPOGTGA-DZGCQCFKSA-N 2 2 399.333 1.807 20 0 GDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709808 531234703 /nfs/dbraw/zinc/23/47/03/531234703.db2.gz GMKRZWVPPOGTGA-DZGCQCFKSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709808 531234706 /nfs/dbraw/zinc/23/47/06/531234706.db2.gz GMKRZWVPPOGTGA-DZGCQCFKSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709808 531234709 /nfs/dbraw/zinc/23/47/09/531234709.db2.gz GMKRZWVPPOGTGA-DZGCQCFKSA-N 2 2 399.333 1.807 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000266183039 531321681 /nfs/dbraw/zinc/32/16/81/531321681.db2.gz YXLZTGZJKCRAPL-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1c[nH]c(=O)c(Br)c1 ZINC000266183039 531321686 /nfs/dbraw/zinc/32/16/86/531321686.db2.gz YXLZTGZJKCRAPL-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000486048329 531445554 /nfs/dbraw/zinc/44/55/54/531445554.db2.gz QJAURQHAJSHKJL-CYBMUJFWSA-N 2 2 396.285 1.574 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc3c(c(Br)c2)OCO3)C1 ZINC000486048329 531445560 /nfs/dbraw/zinc/44/55/60/531445560.db2.gz QJAURQHAJSHKJL-CYBMUJFWSA-N 2 2 396.285 1.574 20 0 GDADLP CN1CC[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000414977613 531464623 /nfs/dbraw/zinc/46/46/23/531464623.db2.gz QNZPZZQJDXFCJI-INIZCTEOSA-N 2 2 383.334 1.279 20 0 GDADLP C[C@H](C(=O)Nc1ccc(Br)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489944690 531514401 /nfs/dbraw/zinc/51/44/01/531514401.db2.gz ZWPZQWBAZRWZFG-CJNGLKHVSA-N 2 2 381.318 1.756 20 0 GDADLP C[NH+]1CCN(S(=O)(=O)c2ccccc2C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657889981 531497014 /nfs/dbraw/zinc/49/70/14/531497014.db2.gz UCOQPWHSJYPPRS-KRWDZBQOSA-N 2 2 383.583 1.998 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181772 531647843 /nfs/dbraw/zinc/64/78/43/531647843.db2.gz OCNHIMQPDMADGR-BMFZPTHFSA-N 2 2 387.933 1.671 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181772 531647851 /nfs/dbraw/zinc/64/78/51/531647851.db2.gz OCNHIMQPDMADGR-BMFZPTHFSA-N 2 2 387.933 1.671 20 0 GDADLP Cc1cc(C[NH2+]Cc2ccccc2S(=O)(=O)N2CC[NH+](C)CC2)sn1 ZINC000638602272 531660355 /nfs/dbraw/zinc/66/03/55/531660355.db2.gz AWBPECDGCPIWEQ-UHFFFAOYSA-N 2 2 380.539 1.677 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662351032 531673328 /nfs/dbraw/zinc/67/33/28/531673328.db2.gz HTUNZBUZXABYSY-CJNGLKHVSA-N 2 2 384.318 1.922 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@@H]([NH3+])c2ccccc2Br)C1 ZINC000662351032 531673338 /nfs/dbraw/zinc/67/33/38/531673338.db2.gz HTUNZBUZXABYSY-CJNGLKHVSA-N 2 2 384.318 1.922 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417197439 531757059 /nfs/dbraw/zinc/75/70/59/531757059.db2.gz ASPKIBOIJXELCJ-FZMZJTMJSA-N 2 2 378.274 1.990 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000622143914 531772428 /nfs/dbraw/zinc/77/24/28/531772428.db2.gz NBXVCAIBXKQSLE-UHFFFAOYSA-N 2 2 386.290 1.791 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2c(cc1Br)OCO2 ZINC000622143914 531772434 /nfs/dbraw/zinc/77/24/34/531772434.db2.gz NBXVCAIBXKQSLE-UHFFFAOYSA-N 2 2 386.290 1.791 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCO[C@@H](C[NH3+])C3)[nH+]c12 ZINC000418015861 531797558 /nfs/dbraw/zinc/79/75/58/531797558.db2.gz FEEBHQJQWQILJE-ZDUSSCGKSA-N 2 2 382.262 1.274 20 0 GDADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000563153570 531814017 /nfs/dbraw/zinc/81/40/17/531814017.db2.gz BHQBUVDKZOQZMX-MRXNPFEDSA-N 2 2 388.295 1.961 20 0 GDADLP COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000563153570 531814023 /nfs/dbraw/zinc/81/40/23/531814023.db2.gz BHQBUVDKZOQZMX-MRXNPFEDSA-N 2 2 388.295 1.961 20 0 GDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@@H](C[NH3+])C1 ZINC000563534896 531850428 /nfs/dbraw/zinc/85/04/28/531850428.db2.gz UXJLYWZJPPITPA-QWHCGFSZSA-N 2 2 385.295 1.448 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(I)c1 ZINC000283871107 531905706 /nfs/dbraw/zinc/90/57/06/531905706.db2.gz ISQMDYOEVKWLSC-CQSZACIVSA-N 2 2 387.265 1.721 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(I)c1 ZINC000283871107 531905714 /nfs/dbraw/zinc/90/57/14/531905714.db2.gz ISQMDYOEVKWLSC-CQSZACIVSA-N 2 2 387.265 1.721 20 0 GDADLP C[N@@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@@H](C[NH3+])C1 ZINC000570543379 531940716 /nfs/dbraw/zinc/94/07/16/531940716.db2.gz YNILWGUTYZJBEK-AWEZNQCLSA-N 2 2 383.949 2.000 20 0 GDADLP C[N@H+]1CCN(C(=O)Nc2cc(Cl)ccc2N2CCSCC2)[C@@H](C[NH3+])C1 ZINC000570543379 531940720 /nfs/dbraw/zinc/94/07/20/531940720.db2.gz YNILWGUTYZJBEK-AWEZNQCLSA-N 2 2 383.949 2.000 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1Cl ZINC000423103866 532072990 /nfs/dbraw/zinc/07/29/90/532072990.db2.gz LOMOXRKLEIBNBI-NEPJUHHUSA-N 2 2 396.340 1.628 20 0 GDADLP CC[N@H+](CCO)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274418008 532209769 /nfs/dbraw/zinc/20/97/69/532209769.db2.gz KLWYECXAGPKQAZ-UHFFFAOYSA-N 2 2 398.305 1.519 20 0 GDADLP CC[N@@H+](CCO)CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000274418008 532209774 /nfs/dbraw/zinc/20/97/74/532209774.db2.gz KLWYECXAGPKQAZ-UHFFFAOYSA-N 2 2 398.305 1.519 20 0 GDADLP C[C@H]1C[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333331651 532229822 /nfs/dbraw/zinc/22/98/22/532229822.db2.gz OKSDGTWQPIWKFR-WCQYABFASA-N 2 2 398.305 1.800 20 0 GDADLP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333316734 532230188 /nfs/dbraw/zinc/23/01/88/532230188.db2.gz MLIUDQROIPRMMO-DGCLKSJQSA-N 2 2 398.305 1.800 20 0 GDADLP CN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC([NH3+])C1 ZINC000333346723 532230933 /nfs/dbraw/zinc/23/09/33/532230933.db2.gz QRMUTVVXRSFHPL-UHFFFAOYSA-N 2 2 384.278 1.634 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630606 532252657 /nfs/dbraw/zinc/25/26/57/532252657.db2.gz SMOPNZDUPZTOHF-CQSZACIVSA-N 2 2 384.318 1.957 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430630606 532252662 /nfs/dbraw/zinc/25/26/62/532252662.db2.gz SMOPNZDUPZTOHF-CQSZACIVSA-N 2 2 384.318 1.957 20 0 GDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000430592279 532252723 /nfs/dbraw/zinc/25/27/23/532252723.db2.gz PXNZGRAUTFNWGR-YOEHRIQHSA-N 2 2 387.571 1.227 20 0 GDADLP C[NH2+]C[C@@H]1CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430969888 532259005 /nfs/dbraw/zinc/25/90/05/532259005.db2.gz HGEINFNHDILYJZ-LBPRGKRZSA-N 2 2 383.290 1.045 20 0 GDADLP C[NH2+]C[C@@H]1CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000430969888 532259006 /nfs/dbraw/zinc/25/90/06/532259006.db2.gz HGEINFNHDILYJZ-LBPRGKRZSA-N 2 2 383.290 1.045 20 0 GDADLP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112982 598972615 /nfs/dbraw/zinc/97/26/15/598972615.db2.gz LMKPLXBCCKHYEW-PBHICJAKSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112982 598972617 /nfs/dbraw/zinc/97/26/17/598972617.db2.gz LMKPLXBCCKHYEW-PBHICJAKSA-N 2 2 398.515 1.395 20 0 GDADLP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)nc[nH+]1 ZINC000736886320 598340263 /nfs/dbraw/zinc/34/02/63/598340263.db2.gz HOZDSRXLRRFOHH-CQSZACIVSA-N 2 2 383.435 1.596 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852900 598743036 /nfs/dbraw/zinc/74/30/36/598743036.db2.gz SDYBEOZEEIRHCU-JTHGQSKGSA-N 2 2 395.511 1.507 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852900 598743038 /nfs/dbraw/zinc/74/30/38/598743038.db2.gz SDYBEOZEEIRHCU-JTHGQSKGSA-N 2 2 395.511 1.507 20 0 GDADLP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738387176 598763023 /nfs/dbraw/zinc/76/30/23/598763023.db2.gz NSEZPVTZVYQLRH-NVXWUHKLSA-N 2 2 395.467 1.435 20 0 GDADLP O[C@@H](COc1ccc(-c2nn[nH]n2)cc1)C[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000738387176 598763025 /nfs/dbraw/zinc/76/30/25/598763025.db2.gz NSEZPVTZVYQLRH-NVXWUHKLSA-N 2 2 395.467 1.435 20 0 GDADLP C[N@@H+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000821627311 599403551 /nfs/dbraw/zinc/40/35/51/599403551.db2.gz WPPSIJAGJCPEMU-SFHVURJKSA-N 2 2 381.484 1.928 20 0 GDADLP C[N@H+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)o2)[C@H](c2ccccc2)C1 ZINC000821627311 599403556 /nfs/dbraw/zinc/40/35/56/599403556.db2.gz WPPSIJAGJCPEMU-SFHVURJKSA-N 2 2 381.484 1.928 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)CC2)CC1 ZINC000824296507 607472635 /nfs/dbraw/zinc/47/26/35/607472635.db2.gz IFYBYURHBKGBQL-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476929 606321944 /nfs/dbraw/zinc/32/19/44/606321944.db2.gz AHROXSCTSPHPSO-HIFRSBDPSA-N 2 2 398.496 1.876 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476929 606321946 /nfs/dbraw/zinc/32/19/46/606321946.db2.gz AHROXSCTSPHPSO-HIFRSBDPSA-N 2 2 398.496 1.876 20 0 GDADLP C[C@@H]1C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984742 608170761 /nfs/dbraw/zinc/17/07/61/608170761.db2.gz NDOFNXHFJNQSFA-VQIMIIECSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824984742 608170764 /nfs/dbraw/zinc/17/07/64/608170764.db2.gz NDOFNXHFJNQSFA-VQIMIIECSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585294 609333399 /nfs/dbraw/zinc/33/33/99/609333399.db2.gz PFZDSTLLXPGWNI-GXTWGEPZSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585294 609333401 /nfs/dbraw/zinc/33/34/01/609333401.db2.gz PFZDSTLLXPGWNI-GXTWGEPZSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545856 609335304 /nfs/dbraw/zinc/33/53/04/609335304.db2.gz DYQSDKRMGSNPCP-GDBMZVCRSA-N 2 2 389.479 1.063 20 0 GDADLP COC(=O)CC1([NH2+]Cc2cc(-n3cc[nH+]c3)cs2)CCS(=O)(=O)CC1 ZINC000439790523 646235373 /nfs/dbraw/zinc/23/53/73/646235373.db2.gz UBXGSZLRIBCAMT-UHFFFAOYSA-N 2 2 383.495 1.534 20 0 GDADLP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2nc3c(cccc3Br)[nH]2)CC1 ZINC000514668533 648458213 /nfs/dbraw/zinc/45/82/13/648458213.db2.gz IHPIKEXQTGBZHA-GFCCVEGCSA-N 2 2 382.306 1.023 20 0 GDADLP COCC[NH2+]CCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000573800718 651494954 /nfs/dbraw/zinc/49/49/54/651494954.db2.gz HFBYSKWBLMEGLY-INIZCTEOSA-N 2 2 384.318 1.938 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)c[nH+]c12 ZINC000573816558 651496838 /nfs/dbraw/zinc/49/68/38/651496838.db2.gz HCEOVWQXNXJFFR-GXTWGEPZSA-N 2 2 378.274 1.149 20 0 GDADLP C[N@H+](C[C@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000581939196 651980354 /nfs/dbraw/zinc/98/03/54/651980354.db2.gz PKULOWICULENHB-QGZVFWFLSA-N 2 2 398.345 1.830 20 0 GDADLP C[N@@H+](C[C@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000581939196 651980359 /nfs/dbraw/zinc/98/03/59/651980359.db2.gz PKULOWICULENHB-QGZVFWFLSA-N 2 2 398.345 1.830 20 0 GDADLP CCc1n[nH]c(C(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000582819629 652017573 /nfs/dbraw/zinc/01/75/73/652017573.db2.gz IVRFQBGKNMWIOL-UHFFFAOYSA-N 2 2 386.338 1.833 20 0 GDADLP CCc1n[nH]c(C(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1Br ZINC000582819629 652017576 /nfs/dbraw/zinc/01/75/76/652017576.db2.gz IVRFQBGKNMWIOL-UHFFFAOYSA-N 2 2 386.338 1.833 20 0 GDADLP Cc1cc(S(=O)(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000631945311 653276351 /nfs/dbraw/zinc/27/63/51/653276351.db2.gz VFEUUMUMXVZKRI-UHFFFAOYSA-N 2 2 380.539 1.723 20 0 GDADLP O=C([C@H](c1ccc(Br)cc1)[NH+]1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493845 654339132 /nfs/dbraw/zinc/33/91/32/654339132.db2.gz LJHJYJKZWGSXTN-INIZCTEOSA-N 2 2 394.313 1.787 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000681729824 654737803 /nfs/dbraw/zinc/73/78/03/654737803.db2.gz CNYVBCGQURFDJN-GFCCVEGCSA-N 2 2 397.317 1.756 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000681729824 654737806 /nfs/dbraw/zinc/73/78/06/654737806.db2.gz CNYVBCGQURFDJN-GFCCVEGCSA-N 2 2 397.317 1.756 20 0 GDADLP Cn1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(Br)n1 ZINC000858124083 655744646 /nfs/dbraw/zinc/74/46/46/655744646.db2.gz FZZGBAQESVGYGQ-UHFFFAOYSA-N 2 2 394.317 1.764 20 0 GDADLP COC(=O)C[C@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870895917 656254124 /nfs/dbraw/zinc/25/41/24/656254124.db2.gz OBGVDFHLSRZJGI-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H]1C ZINC000923421551 656551805 /nfs/dbraw/zinc/55/18/05/656551805.db2.gz CSSQUNRABMSQDZ-KLHDSHLOSA-N 2 2 375.579 1.436 20 0 GDADLP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H]1C ZINC000923421551 656551807 /nfs/dbraw/zinc/55/18/07/656551807.db2.gz CSSQUNRABMSQDZ-KLHDSHLOSA-N 2 2 375.579 1.436 20 0 GDADLP NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448290 656553649 /nfs/dbraw/zinc/55/36/49/656553649.db2.gz BCZLSIKZHBKHBB-LSDHHAIUSA-N 2 2 382.302 1.805 20 0 GDADLP CC[C@H]1COCC[N@@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435234 656674657 /nfs/dbraw/zinc/67/46/57/656674657.db2.gz ZINQZTDBBWYOKY-DOTOQJQBSA-N 2 2 384.318 1.850 20 0 GDADLP CC[C@H]1COCC[N@H+]1CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435234 656674662 /nfs/dbraw/zinc/67/46/62/656674662.db2.gz ZINQZTDBBWYOKY-DOTOQJQBSA-N 2 2 384.318 1.850 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000884183621 657333893 /nfs/dbraw/zinc/33/38/93/657333893.db2.gz RXDMRPNDLMUJSR-HZPDHXFCSA-N 2 2 384.318 1.922 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000912386924 660034743 /nfs/dbraw/zinc/03/47/43/660034743.db2.gz KUKQTNJIPREMRL-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc2ncc(Br)cn2n1 ZINC000912386924 660034747 /nfs/dbraw/zinc/03/47/47/660034747.db2.gz KUKQTNJIPREMRL-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1c1cc(C[NH+](C)C)ccn1 ZINC001164708183 719873274 /nfs/dbraw/zinc/87/32/74/719873274.db2.gz YASNVCLKDKCNRG-PXNSSMCTSA-N 2 2 376.501 1.376 20 0 GDADLP Cn1cc(C(=O)N2CC[C@H]3[C@H]2CCN3c2cccc(N3CC[NH+](C)CC3)[nH+]2)cn1 ZINC001164768686 721037209 /nfs/dbraw/zinc/03/72/09/721037209.db2.gz VJGSBJUYLXGSOZ-ZWKOTPCHSA-N 2 2 395.511 1.060 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4O[C@H](C(=O)NCC5CC5)C[C@H]43)[nH+]2)CC1 ZINC001164892696 721458036 /nfs/dbraw/zinc/45/80/36/721458036.db2.gz XFSDPCLOJNMXRN-SQNIBIBYSA-N 2 2 385.512 1.096 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282964 945870512 /nfs/dbraw/zinc/87/05/12/945870512.db2.gz WSFNOFHYBASKET-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282964 945870525 /nfs/dbraw/zinc/87/05/25/945870525.db2.gz WSFNOFHYBASKET-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282964 945870536 /nfs/dbraw/zinc/87/05/36/945870536.db2.gz WSFNOFHYBASKET-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282964 945870547 /nfs/dbraw/zinc/87/05/47/945870547.db2.gz WSFNOFHYBASKET-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571316500 946579956 /nfs/dbraw/zinc/57/99/56/946579956.db2.gz DQLHFTYNMSDYJR-FUHWJXTLSA-N 2 2 392.467 1.186 20 0 GDADLP O=C(CCn1cc[nH+]c1)N1CC[C@H]2C[N@@H+](Cc3ccccc3-c3nn[nH]n3)C[C@H]21 ZINC001571316500 946579964 /nfs/dbraw/zinc/57/99/64/946579964.db2.gz DQLHFTYNMSDYJR-FUHWJXTLSA-N 2 2 392.467 1.186 20 0 GDADLP C[C@H](CN1CCCC1=O)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824412529 946693295 /nfs/dbraw/zinc/69/32/95/946693295.db2.gz AIHBBPLAWXGJFT-OAHLLOKOSA-N 2 2 383.500 1.432 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[C@H](C)N1CCOCC1 ZINC000824548075 946789824 /nfs/dbraw/zinc/78/98/24/946789824.db2.gz VAKKHKRJKBQAMS-SJORKVTESA-N 2 2 399.543 1.530 20 0 GDADLP CC1(C)COCCN1CC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824811800 946939345 /nfs/dbraw/zinc/93/93/45/946939345.db2.gz CQFSUFJPMJPKSM-UHFFFAOYSA-N 2 2 399.543 1.532 20 0 GDADLP C[C@@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722725 949847716 /nfs/dbraw/zinc/84/77/16/949847716.db2.gz WCMUDQGZEOKQFC-HNNXBMFYSA-N 2 2 382.472 1.480 20 0 GDADLP CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574153902 950152522 /nfs/dbraw/zinc/15/25/22/950152522.db2.gz XOENEDCFUCQYBT-HNNXBMFYSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cc[nH+]c1 ZINC001574497832 950246732 /nfs/dbraw/zinc/24/67/32/950246732.db2.gz DTRZALBINTUXRC-CQSZACIVSA-N 2 2 380.456 1.453 20 0 GDADLP CC1CC[NH+](CC(=O)N2CC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)CC1 ZINC001576197207 950384678 /nfs/dbraw/zinc/38/46/78/950384678.db2.gz LKMHMFHAEQCMDV-OAHLLOKOSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CCN1C(=O)CCc1c[nH]c[nH+]1 ZINC001575915860 950524054 /nfs/dbraw/zinc/52/40/54/950524054.db2.gz XQGATNBKLSXDPV-SUMWQHHRSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001575092172 951790126 /nfs/dbraw/zinc/79/01/26/951790126.db2.gz APYZACZARDUUNE-ZDUSSCGKSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575104432 951886545 /nfs/dbraw/zinc/88/65/45/951886545.db2.gz CHWATVQYCGORNN-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CCN2c1cc[nH+]cc1-c1nn[nH]n1)[NH+](C)C ZINC001571252917 953334340 /nfs/dbraw/zinc/33/43/40/953334340.db2.gz ZAABCDQAXWAHCZ-BHYGNILZSA-N 2 2 384.488 1.172 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000051762517 530681439 /nfs/dbraw/zinc/68/14/39/530681439.db2.gz MPTGAAOVZYCUNZ-AWEZNQCLSA-N 2 2 390.311 1.439 20 0 GDADLP Cc1ccc(C[NH2+][C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1Br ZINC000179424115 530740461 /nfs/dbraw/zinc/74/04/61/530740461.db2.gz CNOHXOKWQRZWON-INIZCTEOSA-N 2 2 396.329 1.780 20 0 GDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1cc2c(cc1Br)OCCO2 ZINC000180465546 530766734 /nfs/dbraw/zinc/76/67/34/530766734.db2.gz FYYPEPXVTHFYHJ-LBPRGKRZSA-N 2 2 398.301 1.645 20 0 GDADLP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000188758708 530900826 /nfs/dbraw/zinc/90/08/26/530900826.db2.gz FKSOHTILKYFUMI-QGZVFWFLSA-N 2 2 386.334 1.688 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[C@@H]1CCSC1 ZINC000119133734 530922483 /nfs/dbraw/zinc/92/24/83/530922483.db2.gz RPROMCQYDKRNJZ-CQSZACIVSA-N 2 2 383.480 1.537 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1)[C@@H]1CCSC1 ZINC000119133734 530922488 /nfs/dbraw/zinc/92/24/88/530922488.db2.gz RPROMCQYDKRNJZ-CQSZACIVSA-N 2 2 383.480 1.537 20 0 GDADLP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1ccccc1Cl ZINC000236883812 531041042 /nfs/dbraw/zinc/04/10/42/531041042.db2.gz CIASPGBMHFTHHF-HZPDHXFCSA-N 2 2 389.949 1.601 20 0 GDADLP COCC[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261631054 531094036 /nfs/dbraw/zinc/09/40/36/531094036.db2.gz BTKZIHSTTWNGKM-GUYCJALGSA-N 2 2 384.318 1.802 20 0 GDADLP COCC[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000261631054 531094039 /nfs/dbraw/zinc/09/40/39/531094039.db2.gz BTKZIHSTTWNGKM-GUYCJALGSA-N 2 2 384.318 1.802 20 0 GDADLP C[C@]1(C[NH3+])CC[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000261875582 531101142 /nfs/dbraw/zinc/10/11/42/531101142.db2.gz UCIXVNSNGBQLHJ-MRXNPFEDSA-N 2 2 383.290 1.175 20 0 GDADLP C[C@]1(C[NH3+])CC[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)C1 ZINC000261875582 531101144 /nfs/dbraw/zinc/10/11/44/531101144.db2.gz UCIXVNSNGBQLHJ-MRXNPFEDSA-N 2 2 383.290 1.175 20 0 GDADLP O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(Br)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261894069 531101938 /nfs/dbraw/zinc/10/19/38/531101938.db2.gz ODOYWOOERYQHOA-CZUORRHYSA-N 2 2 381.318 1.924 20 0 GDADLP O=C(NC[C@H]1CCC[N@H+](Cc2ccc(Br)cn2)C1)[C@H]1CCC[NH2+]1 ZINC000261894069 531101940 /nfs/dbraw/zinc/10/19/40/531101940.db2.gz ODOYWOOERYQHOA-CZUORRHYSA-N 2 2 381.318 1.924 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[N@@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246948264 531071264 /nfs/dbraw/zinc/07/12/64/531071264.db2.gz RBKOGQZAKVOYBF-RDJZCZTQSA-N 2 2 399.329 1.843 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246948264 531071268 /nfs/dbraw/zinc/07/12/68/531071268.db2.gz RBKOGQZAKVOYBF-RDJZCZTQSA-N 2 2 399.329 1.843 20 0 GDADLP C[NH2+]CCNC(=O)C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1 ZINC000151236536 531135781 /nfs/dbraw/zinc/13/57/81/531135781.db2.gz OIKFNRFWNKQDBN-UHFFFAOYSA-N 2 2 387.297 1.041 20 0 GDADLP Cc1nn(C)c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1Br ZINC000279075207 531411812 /nfs/dbraw/zinc/41/18/12/531411812.db2.gz GMTCGEOPYBOYTH-UHFFFAOYSA-N 2 2 393.333 1.928 20 0 GDADLP C[N@H+](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000536523162 531451989 /nfs/dbraw/zinc/45/19/89/531451989.db2.gz VWJWIQJEZOXHAY-CVEARBPZSA-N 2 2 382.599 1.590 20 0 GDADLP C[N@@H+](CC(=O)NC[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CCSC1 ZINC000536523162 531451992 /nfs/dbraw/zinc/45/19/92/531451992.db2.gz VWJWIQJEZOXHAY-CVEARBPZSA-N 2 2 382.599 1.590 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000363054473 531470742 /nfs/dbraw/zinc/47/07/42/531470742.db2.gz SWDMOUNYROYAME-GFCCVEGCSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c[nH]c(=O)c(Br)c3)C2)CC1 ZINC000363054473 531470747 /nfs/dbraw/zinc/47/07/47/531470747.db2.gz SWDMOUNYROYAME-GFCCVEGCSA-N 2 2 383.290 1.448 20 0 GDADLP COc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(Br)c1OC ZINC000489854830 531511991 /nfs/dbraw/zinc/51/19/91/531511991.db2.gz GDUIDXVTHWZURH-CQSZACIVSA-N 2 2 384.318 1.946 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000489904962 531514327 /nfs/dbraw/zinc/51/43/27/531514327.db2.gz DMWIRGYYDGRPEU-QGZVFWFLSA-N 2 2 385.339 1.931 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1Br)[NH+]1CCOCC1 ZINC000662368112 531674840 /nfs/dbraw/zinc/67/48/40/531674840.db2.gz KMELYRORGQRVHW-CVEARBPZSA-N 2 2 384.318 1.922 20 0 GDADLP CC[C@H](c1ccc(Br)cc1)[NH+]1CCN(C(=O)C2(O)C[NH2+]C2)CC1 ZINC000662718762 531694792 /nfs/dbraw/zinc/69/47/92/531694792.db2.gz RWCNJOPCHNMUSS-OAHLLOKOSA-N 2 2 382.302 1.379 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000562311616 531746508 /nfs/dbraw/zinc/74/65/08/531746508.db2.gz UODSGPUGZICOLR-UKRRQHHQSA-N 2 2 397.317 1.428 20 0 GDADLP [NH3+]C[C@H]1CC[C@H](NC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000667671776 531783949 /nfs/dbraw/zinc/78/39/49/531783949.db2.gz KMDMLUSJLBXFOR-RYUDHWBXSA-N 2 2 398.305 1.930 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000563003743 531797460 /nfs/dbraw/zinc/79/74/60/531797460.db2.gz WNOWSFILXXLBLR-GUTXKFCHSA-N 2 2 390.933 1.303 20 0 GDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2ccc(S(C)(=O)=O)c(Cl)c2)C[C@H](C)O1 ZINC000563003743 531797468 /nfs/dbraw/zinc/79/74/68/531797468.db2.gz WNOWSFILXXLBLR-GUTXKFCHSA-N 2 2 390.933 1.303 20 0 GDADLP O[C@H]1CC[N@H+](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000623837554 531826221 /nfs/dbraw/zinc/82/62/21/531826221.db2.gz KEBYUXCZFPPZDT-INIZCTEOSA-N 2 2 384.318 1.442 20 0 GDADLP O[C@H]1CC[N@@H+](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000623837554 531826227 /nfs/dbraw/zinc/82/62/27/531826227.db2.gz KEBYUXCZFPPZDT-INIZCTEOSA-N 2 2 384.318 1.442 20 0 GDADLP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000563364538 531830904 /nfs/dbraw/zinc/83/09/04/531830904.db2.gz PADDZVWICCYIHV-IUODEOHRSA-N 2 2 379.270 1.150 20 0 GDADLP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000563364538 531830909 /nfs/dbraw/zinc/83/09/09/531830909.db2.gz PADDZVWICCYIHV-IUODEOHRSA-N 2 2 379.270 1.150 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCCc2ccc(Br)cc2Cl)[C@@H](C[NH3+])C1 ZINC000563606738 531855916 /nfs/dbraw/zinc/85/59/16/531855916.db2.gz TXSPHQULPQLYRY-ZDUSSCGKSA-N 2 2 389.725 1.929 20 0 GDADLP CC[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938345 531907379 /nfs/dbraw/zinc/90/73/79/531907379.db2.gz KKAHQORXKIHLDP-JSGCOSHPSA-N 2 2 397.317 1.563 20 0 GDADLP CC[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000647938345 531907384 /nfs/dbraw/zinc/90/73/84/531907384.db2.gz KKAHQORXKIHLDP-JSGCOSHPSA-N 2 2 397.317 1.563 20 0 GDADLP CN(C)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)[nH+]cc1Br ZINC000456572148 531920335 /nfs/dbraw/zinc/92/03/35/531920335.db2.gz ADHIXVRFYUNAKO-NSHDSACASA-N 2 2 398.305 1.259 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ccccc1I ZINC000597989753 531962690 /nfs/dbraw/zinc/96/26/90/531962690.db2.gz JBCQFSNCEJVVFJ-UHFFFAOYSA-N 2 2 389.281 1.905 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ccccc1I ZINC000597989753 531962697 /nfs/dbraw/zinc/96/26/97/531962697.db2.gz JBCQFSNCEJVVFJ-UHFFFAOYSA-N 2 2 389.281 1.905 20 0 GDADLP CN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)[C@@H](C[NH3+])C1CC1 ZINC000573902767 531992371 /nfs/dbraw/zinc/99/23/71/531992371.db2.gz GYBVEEKXIVEQSN-AWEZNQCLSA-N 2 2 398.305 1.882 20 0 GDADLP COc1cc(F)c(S(=O)(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657071766 531996966 /nfs/dbraw/zinc/99/69/66/531996966.db2.gz UNUSKJZFIFLBNY-LBPRGKRZSA-N 2 2 379.473 1.524 20 0 GDADLP COc1cc(F)c(S(=O)(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(F)c1 ZINC000657071766 531996973 /nfs/dbraw/zinc/99/69/73/531996973.db2.gz UNUSKJZFIFLBNY-LBPRGKRZSA-N 2 2 379.473 1.524 20 0 GDADLP CC[NH+](CC)CCN(Cc1cccs1)S(=O)(=O)C[C@H]1C[N@@H+](C)CCO1 ZINC000631675407 532003255 /nfs/dbraw/zinc/00/32/55/532003255.db2.gz OUCKNTSEAYMJDW-MRXNPFEDSA-N 2 2 389.587 1.552 20 0 GDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@@H](C)O1 ZINC000576272100 532020425 /nfs/dbraw/zinc/02/04/25/532020425.db2.gz QXLFVTDGHMPHSW-BZPMIXESSA-N 2 2 378.300 1.827 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(I)cc1 ZINC000576704462 532027201 /nfs/dbraw/zinc/02/72/01/532027201.db2.gz SJULGUYYHYRWQD-NEPJUHHUSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(I)cc1 ZINC000576704462 532027207 /nfs/dbraw/zinc/02/72/07/532027207.db2.gz SJULGUYYHYRWQD-NEPJUHHUSA-N 2 2 385.249 1.771 20 0 GDADLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000422912333 532069948 /nfs/dbraw/zinc/06/99/48/532069948.db2.gz WBCJZZQKQRAHCL-ZLDLUXBVSA-N 2 2 390.265 1.619 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1ccc(I)s1 ZINC000602720125 532081702 /nfs/dbraw/zinc/08/17/02/532081702.db2.gz IFFDMPRHPDMELO-NSHDSACASA-N 2 2 393.294 1.782 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1ccc(I)s1 ZINC000602720125 532081704 /nfs/dbraw/zinc/08/17/04/532081704.db2.gz IFFDMPRHPDMELO-NSHDSACASA-N 2 2 393.294 1.782 20 0 GDADLP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333383242 532232222 /nfs/dbraw/zinc/23/22/22/532232222.db2.gz WLHAFEPFKZLUCR-WCQYABFASA-N 2 2 398.305 1.943 20 0 GDADLP Cc1ccc(NC(=O)[C@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000430611543 532253571 /nfs/dbraw/zinc/25/35/71/532253571.db2.gz OLEMBSUWBAHGIC-ZDUSSCGKSA-N 2 2 397.317 1.448 20 0 GDADLP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000430611543 532253573 /nfs/dbraw/zinc/25/35/73/532253573.db2.gz OLEMBSUWBAHGIC-ZDUSSCGKSA-N 2 2 397.317 1.448 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000275313796 532286215 /nfs/dbraw/zinc/28/62/15/532286215.db2.gz RWCPMWVSBBUYHU-KRWDZBQOSA-N 2 2 396.329 1.987 20 0 GDADLP C[NH+]1CCN(C(=O)CC[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)CC1 ZINC000275313796 532286218 /nfs/dbraw/zinc/28/62/18/532286218.db2.gz RWCPMWVSBBUYHU-KRWDZBQOSA-N 2 2 396.329 1.987 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736707371 598354654 /nfs/dbraw/zinc/35/46/54/598354654.db2.gz XYUOIENCPSLEKG-MRXNPFEDSA-N 2 2 380.456 1.901 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736707371 598354656 /nfs/dbraw/zinc/35/46/56/598354656.db2.gz XYUOIENCPSLEKG-MRXNPFEDSA-N 2 2 380.456 1.901 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000822195037 599531756 /nfs/dbraw/zinc/53/17/56/599531756.db2.gz DUMWTMOSFSOFPP-LSDHHAIUSA-N 2 2 381.484 1.923 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[N@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000822195037 599531757 /nfs/dbraw/zinc/53/17/57/599531757.db2.gz DUMWTMOSFSOFPP-LSDHHAIUSA-N 2 2 381.484 1.923 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000822334346 606102129 /nfs/dbraw/zinc/10/21/29/606102129.db2.gz CAMZWRPJUFJIAA-OAHLLOKOSA-N 2 2 379.468 1.882 20 0 GDADLP CC(C)OCC[NH+]1CCC([NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000820145631 606165341 /nfs/dbraw/zinc/16/53/41/606165341.db2.gz CLZDKCTYZCKFLV-UHFFFAOYSA-N 2 2 384.488 1.493 20 0 GDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714617 606222525 /nfs/dbraw/zinc/22/25/25/606222525.db2.gz NSHUIKADSLVCFM-FUHWJXTLSA-N 2 2 384.509 1.901 20 0 GDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714617 606222526 /nfs/dbraw/zinc/22/25/26/606222526.db2.gz NSHUIKADSLVCFM-FUHWJXTLSA-N 2 2 384.509 1.901 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822477235 606616921 /nfs/dbraw/zinc/61/69/21/606616921.db2.gz JSZOSMKOHYQMIP-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)NCc1cccc(-c2nn[nH]n2)c1 ZINC000822477235 606616922 /nfs/dbraw/zinc/61/69/22/606616922.db2.gz JSZOSMKOHYQMIP-QGZVFWFLSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1CCC[NH+]1CCN(c2oc(C3CC3)nc2-c2nn[nH]n2)CC1 ZINC000826331123 608105019 /nfs/dbraw/zinc/10/50/19/608105019.db2.gz VRLLAGCFNIJWQO-UHFFFAOYSA-N 2 2 383.460 1.449 20 0 GDADLP c1cc2c(cc1-c1nn[nH]n1)CCC[C@@H]2[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000826517779 608512966 /nfs/dbraw/zinc/51/29/66/608512966.db2.gz OIUXCTCQTAMVGX-ICSRJNTNSA-N 2 2 397.527 1.240 20 0 GDADLP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000564280689 650753957 /nfs/dbraw/zinc/75/39/57/650753957.db2.gz WXKFUPLIQWLIAI-OAHLLOKOSA-N 2 2 399.333 1.807 20 0 GDADLP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1 ZINC000564280689 650753963 /nfs/dbraw/zinc/75/39/63/650753963.db2.gz WXKFUPLIQWLIAI-OAHLLOKOSA-N 2 2 399.333 1.807 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872548 645254260 /nfs/dbraw/zinc/25/42/60/645254260.db2.gz ZMEFHXRMWBBVLL-BFYDXBDKSA-N 2 2 385.302 1.642 20 0 GDADLP O[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)COc1cccc(Br)c1 ZINC000320872548 645254266 /nfs/dbraw/zinc/25/42/66/645254266.db2.gz ZMEFHXRMWBBVLL-BFYDXBDKSA-N 2 2 385.302 1.642 20 0 GDADLP COCC[NH+]1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)CC1 ZINC000510976786 648347484 /nfs/dbraw/zinc/34/74/84/648347484.db2.gz NPSXEGVDNFBHDK-UHFFFAOYSA-N 2 2 393.912 1.458 20 0 GDADLP [NH3+]C[C@@H]1CN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000572241834 651092870 /nfs/dbraw/zinc/09/28/70/651092870.db2.gz JVCYVROWIXMKQV-CVEARBPZSA-N 2 2 382.302 1.772 20 0 GDADLP Cc1[nH+]ccn1CC(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1 ZINC000576241466 651646029 /nfs/dbraw/zinc/64/60/29/651646029.db2.gz IMLISFOXGQUDBC-UHFFFAOYSA-N 2 2 393.289 1.740 20 0 GDADLP O=C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000613555765 652958607 /nfs/dbraw/zinc/95/86/07/652958607.db2.gz YUFCKLHZJLFQPJ-STQMWFEESA-N 2 2 384.311 1.188 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NCCOCCC[NH3+])[nH+]c12 ZINC000627014095 653066765 /nfs/dbraw/zinc/06/67/65/653066765.db2.gz SJFGFVIIVPLEMC-UHFFFAOYSA-N 2 2 398.305 1.612 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000629609941 653177877 /nfs/dbraw/zinc/17/78/77/653177877.db2.gz XXVYSDPLRXVBML-DOMZBBRYSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000629609941 653177878 /nfs/dbraw/zinc/17/78/78/653177878.db2.gz XXVYSDPLRXVBML-DOMZBBRYSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000629610055 653177938 /nfs/dbraw/zinc/17/79/38/653177938.db2.gz ZZDBAVKWQKHCHC-ZFWWWQNUSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc(Cl)cc1Cl ZINC000629610055 653177946 /nfs/dbraw/zinc/17/79/46/653177946.db2.gz ZZDBAVKWQKHCHC-ZFWWWQNUSA-N 2 2 390.311 1.663 20 0 GDADLP O=C([C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000631821419 653257557 /nfs/dbraw/zinc/25/75/57/653257557.db2.gz XIQHOEGMHPMRFT-GFCCVEGCSA-N 2 2 385.281 1.627 20 0 GDADLP O=C([C@@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000631821419 653257560 /nfs/dbraw/zinc/25/75/60/653257560.db2.gz XIQHOEGMHPMRFT-GFCCVEGCSA-N 2 2 385.281 1.627 20 0 GDADLP C[NH+](C)CCOC1CC[NH+](Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000638062465 653535336 /nfs/dbraw/zinc/53/53/36/653535336.db2.gz SIOSHRLVJKDHPJ-UHFFFAOYSA-N 2 2 375.922 1.530 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662630980 654298967 /nfs/dbraw/zinc/29/89/67/654298967.db2.gz JLGLVGMMQYZEFQ-QGZVFWFLSA-N 3 2 385.350 1.623 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662630980 654298969 /nfs/dbraw/zinc/29/89/69/654298969.db2.gz JLGLVGMMQYZEFQ-QGZVFWFLSA-N 3 2 385.350 1.623 20 0 GDADLP CC1(C)C[NH2+]CC[C@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476941 655366630 /nfs/dbraw/zinc/36/66/30/655366630.db2.gz XRPHYVVDTWNFTE-CYBMUJFWSA-N 2 2 375.441 1.599 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ncccc2Br)CC1 ZINC000866669168 655952864 /nfs/dbraw/zinc/95/28/64/655952864.db2.gz SNPDHXBNNJVUSZ-CABCVRRESA-N 2 2 381.274 1.601 20 0 GDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876780693 656630099 /nfs/dbraw/zinc/63/00/99/656630099.db2.gz IPNPIGVTQPLCMA-QGZVFWFLSA-N 2 2 397.361 1.983 20 0 GDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876780693 656630104 /nfs/dbraw/zinc/63/01/04/656630104.db2.gz IPNPIGVTQPLCMA-QGZVFWFLSA-N 2 2 397.361 1.983 20 0 GDADLP CNC(=O)c1cccc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)c1Br ZINC000926116667 656736968 /nfs/dbraw/zinc/73/69/68/656736968.db2.gz SJPIDYNLPMWKHM-UHFFFAOYSA-N 2 2 398.305 1.353 20 0 GDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000929780755 656984649 /nfs/dbraw/zinc/98/46/49/656984649.db2.gz HAURXRUCEHGKLO-OWCLPIDISA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@H+]1C ZINC000929780755 656984652 /nfs/dbraw/zinc/98/46/52/656984652.db2.gz HAURXRUCEHGKLO-OWCLPIDISA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780755 656984654 /nfs/dbraw/zinc/98/46/54/656984654.db2.gz HAURXRUCEHGKLO-OWCLPIDISA-N 2 2 375.579 1.402 20 0 GDADLP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC[NH+]1C ZINC000929780755 656984658 /nfs/dbraw/zinc/98/46/58/656984658.db2.gz HAURXRUCEHGKLO-OWCLPIDISA-N 2 2 375.579 1.402 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3ncc(Br)cn3)CC2)CC1 ZINC000931216086 657080974 /nfs/dbraw/zinc/08/09/74/657080974.db2.gz CBUQMLCZBIUVKV-UHFFFAOYSA-N 2 2 382.306 1.528 20 0 GDADLP COC(=O)CCC[NH+]1CCC([NH2+][C@@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898723562 658952582 /nfs/dbraw/zinc/95/25/82/658952582.db2.gz GIBLRIXIMKZVRG-CQSZACIVSA-N 2 2 399.333 1.968 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675497 659134571 /nfs/dbraw/zinc/13/45/71/659134571.db2.gz SAAKLXINWQFVFT-WBVHZDCISA-N 2 2 396.329 1.767 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)[C@@H](O)c3cccc(Br)c3)C2)CC1 ZINC000900675497 659134577 /nfs/dbraw/zinc/13/45/77/659134577.db2.gz SAAKLXINWQFVFT-WBVHZDCISA-N 2 2 396.329 1.767 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C(=O)N(Cc5ccncc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164848492 720811992 /nfs/dbraw/zinc/81/19/92/720811992.db2.gz CTNWFLAZXVWJPK-OALUTQOASA-N 2 2 392.507 1.323 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C/C(=O)OC)CC[C@H]2C1 ZINC001164856088 720868451 /nfs/dbraw/zinc/86/84/51/720868451.db2.gz OTFPGLNYSLOEBD-WWAPKCSDSA-N 2 2 389.496 1.750 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C/C(=O)OC)CC[C@H]2C1 ZINC001164856088 720868456 /nfs/dbraw/zinc/86/84/56/720868456.db2.gz OTFPGLNYSLOEBD-WWAPKCSDSA-N 2 2 389.496 1.750 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(c5cccnc5)C(=O)[C@H]4C3)[nH+]2)CC1 ZINC001165019204 721791377 /nfs/dbraw/zinc/79/13/77/721791377.db2.gz JVPYIOVNCSCMJA-AEFFLSMTSA-N 2 2 378.480 1.328 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282963 945870584 /nfs/dbraw/zinc/87/05/84/945870584.db2.gz WSFNOFHYBASKET-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282963 945870593 /nfs/dbraw/zinc/87/05/93/945870593.db2.gz WSFNOFHYBASKET-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282963 945870611 /nfs/dbraw/zinc/87/06/11/945870611.db2.gz WSFNOFHYBASKET-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3cc(-c4nn[nH]n4)ccc3F)C2)C1 ZINC001571282963 945870613 /nfs/dbraw/zinc/87/06/13/945870613.db2.gz WSFNOFHYBASKET-BBRMVZONSA-N 2 2 387.463 1.038 20 0 GDADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809947 945872416 /nfs/dbraw/zinc/87/24/16/945872416.db2.gz UJSVFHLPYNXKGI-NRFANRHFSA-N 2 2 394.479 1.602 20 0 GDADLP COc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809947 945872429 /nfs/dbraw/zinc/87/24/29/945872429.db2.gz UJSVFHLPYNXKGI-NRFANRHFSA-N 2 2 394.479 1.602 20 0 GDADLP Cn1cc(C[NH+]2CCC([N@H+](C)CCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825942095 947381331 /nfs/dbraw/zinc/38/13/31/947381331.db2.gz VWHSWZAGMLNHJN-UHFFFAOYSA-N 2 2 396.499 1.156 20 0 GDADLP Cn1cc(C[NH+]2CCC([N@@H+](C)CCO)CC2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000825942095 947381343 /nfs/dbraw/zinc/38/13/43/947381343.db2.gz VWHSWZAGMLNHJN-UHFFFAOYSA-N 2 2 396.499 1.156 20 0 GDADLP c1[nH]nc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)C2 ZINC000826513449 948436597 /nfs/dbraw/zinc/43/65/97/948436597.db2.gz LVPGBEJDCXBCAA-GOSISDBHSA-N 2 2 378.484 1.701 20 0 GDADLP c1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826526876 948465005 /nfs/dbraw/zinc/46/50/05/948465005.db2.gz QFBNPBKHQLSBKE-KRWDZBQOSA-N 2 2 379.472 1.027 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921368 948920050 /nfs/dbraw/zinc/92/00/50/948920050.db2.gz VRNQMOHATYWUIP-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574921368 948920058 /nfs/dbraw/zinc/92/00/58/948920058.db2.gz VRNQMOHATYWUIP-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492067 950059214 /nfs/dbraw/zinc/05/92/14/950059214.db2.gz ITUNPAGCOUJUCF-OLZOCXBDSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492067 950059227 /nfs/dbraw/zinc/05/92/27/950059227.db2.gz ITUNPAGCOUJUCF-OLZOCXBDSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196907 950369620 /nfs/dbraw/zinc/36/96/20/950369620.db2.gz ITBBLPJCIIBITJ-HUUCEWRRSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[C@@H](N(C)c3cc[nH+]cc3-c3nn[nH]n3)C2)C1 ZINC001576196907 950369646 /nfs/dbraw/zinc/36/96/46/950369646.db2.gz ITBBLPJCIIBITJ-HUUCEWRRSA-N 2 2 384.488 1.031 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)C1 ZINC001576207136 950591493 /nfs/dbraw/zinc/59/14/93/950591493.db2.gz DBMHHGLMMBTSOK-NFAWXSAZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)C1 ZINC001576207136 950591507 /nfs/dbraw/zinc/59/15/07/950591507.db2.gz DBMHHGLMMBTSOK-NFAWXSAZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)C1 ZINC001576207136 950591522 /nfs/dbraw/zinc/59/15/22/950591522.db2.gz DBMHHGLMMBTSOK-NFAWXSAZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)[C@@H]2C)C1 ZINC001576207136 950591539 /nfs/dbraw/zinc/59/15/39/950591539.db2.gz DBMHHGLMMBTSOK-NFAWXSAZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)CCn1cc[nH+]c1 ZINC001574523682 950825421 /nfs/dbraw/zinc/82/54/21/950825421.db2.gz PFZMAEIHDBQAGL-HUUCEWRRSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N(C)C(=O)CCCn1cc[nH+]c1 ZINC001575100557 951846832 /nfs/dbraw/zinc/84/68/32/951846832.db2.gz UAJHUGWJUBKOBT-CYBMUJFWSA-N 2 2 388.501 1.542 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575201657 952507040 /nfs/dbraw/zinc/50/70/40/952507040.db2.gz JVUSSMPBUKCOHR-ZIAGYGMSSA-N 2 2 382.472 1.405 20 0 GDADLP C[N@@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000162276444 530567163 /nfs/dbraw/zinc/56/71/63/530567163.db2.gz WFSBDBCWUBHQTE-CHWSQXEVSA-N 2 2 385.295 1.448 20 0 GDADLP C[N@H+]1CCN(C(=O)[C@@H]2CCN(c3ccc(Cl)c(Cl)c3)C2=O)[C@H](C[NH3+])C1 ZINC000162276444 530567166 /nfs/dbraw/zinc/56/71/66/530567166.db2.gz WFSBDBCWUBHQTE-CHWSQXEVSA-N 2 2 385.295 1.448 20 0 GDADLP C[C@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cncs1 ZINC000127167882 531026461 /nfs/dbraw/zinc/02/64/61/531026461.db2.gz USWOFBGMMMJNGT-AWEZNQCLSA-N 2 2 381.527 1.341 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000249603553 531088226 /nfs/dbraw/zinc/08/82/26/531088226.db2.gz QXWCENHCFBXLJH-KBAYOESNSA-N 2 2 375.579 1.620 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000249603553 531088229 /nfs/dbraw/zinc/08/82/29/531088229.db2.gz QXWCENHCFBXLJH-KBAYOESNSA-N 2 2 375.579 1.620 20 0 GDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@H]12 ZINC000261719400 531097044 /nfs/dbraw/zinc/09/70/44/531097044.db2.gz KAGJXZSNLBGCDL-DDTOSNHZSA-N 2 2 385.249 1.899 20 0 GDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@H]12 ZINC000261719400 531097046 /nfs/dbraw/zinc/09/70/46/531097046.db2.gz KAGJXZSNLBGCDL-DDTOSNHZSA-N 2 2 385.249 1.899 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143692 531146870 /nfs/dbraw/zinc/14/68/70/531146870.db2.gz HWOTWRUSAFTBDU-FMKPAKJESA-N 2 2 387.571 1.587 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000152143692 531146871 /nfs/dbraw/zinc/14/68/71/531146871.db2.gz HWOTWRUSAFTBDU-FMKPAKJESA-N 2 2 387.571 1.587 20 0 GDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@H](C)C1 ZINC000152141231 531147118 /nfs/dbraw/zinc/14/71/18/531147118.db2.gz RZPMAIHGIYKXRW-ZBFHGGJFSA-N 2 2 387.571 1.589 20 0 GDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@H](C)C1 ZINC000152141231 531147121 /nfs/dbraw/zinc/14/71/21/531147121.db2.gz RZPMAIHGIYKXRW-ZBFHGGJFSA-N 2 2 387.571 1.589 20 0 GDADLP O=C(C[N@@H+](CCO)[C@@H]1CCCSC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000433192439 531218088 /nfs/dbraw/zinc/21/80/88/531218088.db2.gz LLQNUIJVHGDNIE-MRXNPFEDSA-N 2 2 383.583 1.582 20 0 GDADLP O=C(C[N@H+](CCO)[C@@H]1CCCSC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000433192439 531218093 /nfs/dbraw/zinc/21/80/93/531218093.db2.gz LLQNUIJVHGDNIE-MRXNPFEDSA-N 2 2 383.583 1.582 20 0 GDADLP O=C(C[N@@H+](CCO)[C@H]1CCCSC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000433192438 531218162 /nfs/dbraw/zinc/21/81/62/531218162.db2.gz LLQNUIJVHGDNIE-INIZCTEOSA-N 2 2 383.583 1.582 20 0 GDADLP O=C(C[N@H+](CCO)[C@H]1CCCSC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000433192438 531218166 /nfs/dbraw/zinc/21/81/66/531218166.db2.gz LLQNUIJVHGDNIE-INIZCTEOSA-N 2 2 383.583 1.582 20 0 GDADLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854335 531378464 /nfs/dbraw/zinc/37/84/64/531378464.db2.gz AFKQKMGSKYGQTG-IAQYHMDHSA-N 2 2 375.897 1.830 20 0 GDADLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000442854335 531378468 /nfs/dbraw/zinc/37/84/68/531378468.db2.gz AFKQKMGSKYGQTG-IAQYHMDHSA-N 2 2 375.897 1.830 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)Nc2nnc(CC(F)(F)F)s2)CC1 ZINC000483978031 531415215 /nfs/dbraw/zinc/41/52/15/531415215.db2.gz AFMLAKANQFFZFB-UHFFFAOYSA-N 2 2 380.440 1.790 20 0 GDADLP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@H]1CCCN(Cc2[nH+]ccn2C)C1=O ZINC000545302678 531490381 /nfs/dbraw/zinc/49/03/81/531490381.db2.gz GFMNMSRLGISZIW-JSGCOSHPSA-N 2 2 395.305 1.548 20 0 GDADLP CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489911235 531514926 /nfs/dbraw/zinc/51/49/26/531514926.db2.gz YZTAWXKCRNFSBP-HNNXBMFYSA-N 2 2 385.339 1.931 20 0 GDADLP CO[C@@H]1CCN(C(=O)Nc2cc(N(C)C)c(Br)c[nH+]2)[C@@H](C[NH3+])C1 ZINC000415786033 531530053 /nfs/dbraw/zinc/53/00/53/531530053.db2.gz HXYUFRIRMBYHFG-GHMZBOCLSA-N 2 2 386.294 1.880 20 0 GDADLP CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365504599 531657454 /nfs/dbraw/zinc/65/74/54/531657454.db2.gz XKURRCOYALOIOC-CQSZACIVSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1c[nH]c(=O)c(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365504599 531657457 /nfs/dbraw/zinc/65/74/57/531657457.db2.gz XKURRCOYALOIOC-CQSZACIVSA-N 2 2 397.317 1.790 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H](C[NH3+])C3CC3)[nH+]c12 ZINC000418019228 531797950 /nfs/dbraw/zinc/79/79/50/531797950.db2.gz KOSFFSDAWRDFLW-AWEZNQCLSA-N 2 2 380.290 1.984 20 0 GDADLP Fc1cc(Br)cnc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000623420944 531814824 /nfs/dbraw/zinc/81/48/24/531814824.db2.gz TUAADJBWSPOZOC-AWEZNQCLSA-N 2 2 387.297 1.479 20 0 GDADLP O=S(=O)(C[C@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000657416527 532004939 /nfs/dbraw/zinc/00/49/39/532004939.db2.gz VEBFSNNHCFERJV-OAHLLOKOSA-N 2 2 378.479 1.253 20 0 GDADLP CN(C(=O)C(=O)Nc1cscc1Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000635121384 532059046 /nfs/dbraw/zinc/05/90/46/532059046.db2.gz AVRZXZAWBXEJGB-CYBMUJFWSA-N 2 2 384.933 1.967 20 0 GDADLP CN(C(=O)C(=O)Nc1cscc1Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000635121384 532059051 /nfs/dbraw/zinc/05/90/51/532059051.db2.gz AVRZXZAWBXEJGB-CYBMUJFWSA-N 2 2 384.933 1.967 20 0 GDADLP O=S(=O)(NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(F)cc1Cl ZINC000423108183 532072813 /nfs/dbraw/zinc/07/28/13/532072813.db2.gz FOSRKLFQNUXOOO-GOEBONIOSA-N 2 2 391.896 1.114 20 0 GDADLP C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C[C@H]1[NH3+] ZINC000333307574 532229348 /nfs/dbraw/zinc/22/93/48/532229348.db2.gz LDXFBMSEOHATEQ-ZYHUDNBSSA-N 2 2 384.278 1.492 20 0 GDADLP OC1CC[NH+](CCC[NH2+]Cc2cn(-c3ccccc3Br)nn2)CC1 ZINC000289865330 532333355 /nfs/dbraw/zinc/33/33/55/532333355.db2.gz LLCMVQLICJWUKR-UHFFFAOYSA-N 2 2 394.317 1.966 20 0 GDADLP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399532 599072656 /nfs/dbraw/zinc/07/26/56/599072656.db2.gz LDNSAKKFGOMXBH-KSSFIOAISA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399532 599072660 /nfs/dbraw/zinc/07/26/60/599072660.db2.gz LDNSAKKFGOMXBH-KSSFIOAISA-N 2 2 392.467 1.531 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736704911 598355043 /nfs/dbraw/zinc/35/50/43/598355043.db2.gz CVUHTGWQUGKIEY-INIZCTEOSA-N 2 2 380.456 1.901 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736704911 598355046 /nfs/dbraw/zinc/35/50/46/598355046.db2.gz CVUHTGWQUGKIEY-INIZCTEOSA-N 2 2 380.456 1.901 20 0 GDADLP COc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1-c1nn[nH]n1 ZINC000821817883 599397353 /nfs/dbraw/zinc/39/73/53/599397353.db2.gz AHZLJIJYOMKCCP-UHFFFAOYSA-N 2 2 394.479 1.997 20 0 GDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](Cc3ccnc(-c4nn[nH]n4)c3)CC2)CC1 ZINC000825460354 607499021 /nfs/dbraw/zinc/49/90/21/607499021.db2.gz UOXVRWSCDZIUQV-UHFFFAOYSA-N 2 2 398.515 1.028 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1nccnc1-c1nn[nH]n1 ZINC000821622291 606200148 /nfs/dbraw/zinc/20/01/48/606200148.db2.gz YLFNVSCLZVNMEN-UHFFFAOYSA-N 2 2 385.520 1.289 20 0 GDADLP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)c1ncccc1-c1nn[nH]n1 ZINC000821621994 606200438 /nfs/dbraw/zinc/20/04/38/606200438.db2.gz OHCJCXKGXHMZDZ-UHFFFAOYSA-N 2 2 384.532 1.894 20 0 GDADLP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1sccc1-c1nn[nH]n1 ZINC000823514199 606310083 /nfs/dbraw/zinc/31/00/83/606310083.db2.gz XMNHSKPUDZLMPC-YPMHNXCESA-N 2 2 384.469 1.397 20 0 GDADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820438616 606794940 /nfs/dbraw/zinc/79/49/40/606794940.db2.gz TUGJHQMGYRLGHX-AWEZNQCLSA-N 2 2 379.472 1.259 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCN(CC[NH+]2CCCC2)CC1 ZINC000826523133 608033358 /nfs/dbraw/zinc/03/33/58/608033358.db2.gz BLKRSLVEQTWXGX-UHFFFAOYSA-N 2 2 378.484 1.633 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849770 608846393 /nfs/dbraw/zinc/84/63/93/608846393.db2.gz MNXVHDNSUCONMU-PVAVHDDUSA-N 2 2 382.472 1.198 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cnc2ccc(-c3nn[nH]n3)cn12 ZINC000825849770 608846396 /nfs/dbraw/zinc/84/63/96/608846396.db2.gz MNXVHDNSUCONMU-PVAVHDDUSA-N 2 2 382.472 1.198 20 0 GDADLP COCC[N@@H+]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000564929474 650773398 /nfs/dbraw/zinc/77/33/98/650773398.db2.gz SDVGGPROQLLNSH-QGZVFWFLSA-N 2 2 384.318 1.804 20 0 GDADLP COCC[N@H+]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000564929474 650773401 /nfs/dbraw/zinc/77/34/01/650773401.db2.gz SDVGGPROQLLNSH-QGZVFWFLSA-N 2 2 384.318 1.804 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)c3cc[nH]c(=O)c3Br)CC2)CC1 ZINC000568579090 650961939 /nfs/dbraw/zinc/96/19/39/650961939.db2.gz PBMNHZBOUJBDHO-UHFFFAOYSA-N 2 2 397.317 1.838 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000268942117 645162408 /nfs/dbraw/zinc/16/24/08/645162408.db2.gz AIUUGVHOIIUJEJ-DLBZAZTESA-N 2 2 396.329 1.721 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@@H](O)c2ccc(Br)cc2)CC1 ZINC000268942117 645162413 /nfs/dbraw/zinc/16/24/13/645162413.db2.gz AIUUGVHOIIUJEJ-DLBZAZTESA-N 2 2 396.329 1.721 20 0 GDADLP CN(C(=O)c1cc(Br)nn1C)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365289168 645583670 /nfs/dbraw/zinc/58/36/70/645583670.db2.gz XFGLBGRQINACBA-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cc(Br)nn1C)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365289168 645583671 /nfs/dbraw/zinc/58/36/71/645583671.db2.gz XFGLBGRQINACBA-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]CCCCn1cc[nH+]c1 ZINC000918197030 660231696 /nfs/dbraw/zinc/23/16/96/660231696.db2.gz IWLMTVLXCBNQIO-AWEZNQCLSA-N 2 2 385.921 1.971 20 0 GDADLP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000580181529 651902198 /nfs/dbraw/zinc/90/21/98/651902198.db2.gz KXVNQKOWHIFXEC-DZGCQCFKSA-N 2 2 375.922 1.667 20 0 GDADLP C[NH+](C)C[C@H](NC(=O)C(=O)NCC(F)(F)C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000627418762 653075055 /nfs/dbraw/zinc/07/50/55/653075055.db2.gz BJNOCRAJHIYWPW-LBPRGKRZSA-N 2 2 397.253 1.423 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258926 653232597 /nfs/dbraw/zinc/23/25/97/653232597.db2.gz FOMVSIJDSDWUMV-LLVKDONJSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)cncc3Br)C2)CC1 ZINC000631258926 653232602 /nfs/dbraw/zinc/23/26/02/653232602.db2.gz FOMVSIJDSDWUMV-LLVKDONJSA-N 2 2 385.281 1.882 20 0 GDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000644656564 653599953 /nfs/dbraw/zinc/59/99/53/653599953.db2.gz UKWXLBBTSUJWAD-QGZVFWFLSA-N 2 2 394.313 1.693 20 0 GDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCn1cc(Br)ccc1=O ZINC000644656564 653599954 /nfs/dbraw/zinc/59/99/54/653599954.db2.gz UKWXLBBTSUJWAD-QGZVFWFLSA-N 2 2 394.313 1.693 20 0 GDADLP COc1ncc(Br)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662245333 654290604 /nfs/dbraw/zinc/29/06/04/654290604.db2.gz TVXRMFPAIFJRII-CYBMUJFWSA-N 2 2 397.317 1.497 20 0 GDADLP COc1ncc(Br)cc1C[N@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000662245333 654290607 /nfs/dbraw/zinc/29/06/07/654290607.db2.gz TVXRMFPAIFJRII-CYBMUJFWSA-N 2 2 397.317 1.497 20 0 GDADLP O=C(Nc1ccc(Br)cn1)C1CC[NH+](C[C@H]2C[NH2+]CCO2)CC1 ZINC000662260688 654291134 /nfs/dbraw/zinc/29/11/34/654291134.db2.gz PAGKOAVLXWCXCB-CQSZACIVSA-N 2 2 383.290 1.483 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000810218601 655153740 /nfs/dbraw/zinc/15/37/40/655153740.db2.gz JSQRNXZOANQIQP-ZBFHGGJFSA-N 2 2 383.334 1.901 20 0 GDADLP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC000842476942 655366644 /nfs/dbraw/zinc/36/66/44/655366644.db2.gz XRPHYVVDTWNFTE-ZDUSSCGKSA-N 2 2 375.441 1.599 20 0 GDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873275041 656390257 /nfs/dbraw/zinc/39/02/57/656390257.db2.gz BOQISSYJYNTSAT-CYZMBNFOSA-N 2 2 390.269 1.271 20 0 GDADLP NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452697 656553697 /nfs/dbraw/zinc/55/36/97/656553697.db2.gz SXWYTZXXQXUGSV-LSDHHAIUSA-N 2 2 382.302 1.805 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H]1C ZINC000876904085 656638618 /nfs/dbraw/zinc/63/86/18/656638618.db2.gz SRQRVQUKMPCUFC-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H]1C ZINC000876904085 656638621 /nfs/dbraw/zinc/63/86/21/656638621.db2.gz SRQRVQUKMPCUFC-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]cc1Br ZINC000932712194 657213019 /nfs/dbraw/zinc/21/30/19/657213019.db2.gz HWOQBSGIVIHEOZ-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)c1cc(=O)[nH]cc1Br ZINC000932712194 657213026 /nfs/dbraw/zinc/21/30/26/657213026.db2.gz HWOQBSGIVIHEOZ-UHFFFAOYSA-N 2 2 385.306 1.648 20 0 GDADLP Cn1cc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)c(Br)n1 ZINC000883371574 657284037 /nfs/dbraw/zinc/28/40/37/657284037.db2.gz PQAILSLQHPLUES-HNNXBMFYSA-N 2 2 386.338 1.069 20 0 GDADLP [NH3+]CCCN(CC(=O)N1CC[NH+](Cc2cccs2)CC1)CC(F)(F)F ZINC000883443669 657287166 /nfs/dbraw/zinc/28/71/66/657287166.db2.gz CCNVMKGBSNZHIB-UHFFFAOYSA-N 2 2 378.464 1.605 20 0 GDADLP C[NH+]1CCC(CNC(=O)c2ncc(Br)cn2)([NH+]2CCCCC2)CC1 ZINC000933630046 657289200 /nfs/dbraw/zinc/28/92/00/657289200.db2.gz VNERJWIBNBOXBN-UHFFFAOYSA-N 2 2 396.333 1.919 20 0 GDADLP C[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234364 657338220 /nfs/dbraw/zinc/33/82/20/657338220.db2.gz RNNXPZOWLRZQLD-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235030 657339234 /nfs/dbraw/zinc/33/92/34/657339234.db2.gz LENROMHSOMMMDD-RHSMWYFYSA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@H](C)CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884235030 657339238 /nfs/dbraw/zinc/33/92/38/657339238.db2.gz LENROMHSOMMMDD-RHSMWYFYSA-N 2 2 397.361 1.839 20 0 GDADLP C[NH+]1CCC(CNC(=O)CN2CSCCSC2)([NH+]2CCCCC2)CC1 ZINC000900857820 659153631 /nfs/dbraw/zinc/15/36/31/659153631.db2.gz LCNCHBWDUVGILQ-UHFFFAOYSA-N 2 2 386.631 1.750 20 0 GDADLP CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164719849 720258513 /nfs/dbraw/zinc/25/85/13/720258513.db2.gz PQARPDNRTMWHKR-HXUWFJFHSA-N 2 2 376.501 1.534 20 0 GDADLP CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(c3cc(OC(C)C)cc[nH+]3)C2)C1 ZINC001164719849 720258523 /nfs/dbraw/zinc/25/85/23/720258523.db2.gz PQARPDNRTMWHKR-HXUWFJFHSA-N 2 2 376.501 1.534 20 0 GDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc[nH+]c(N)n4)CC3)C2=O)cs1 ZINC001164820247 720375606 /nfs/dbraw/zinc/37/56/06/720375606.db2.gz MTEGMNJBWSLGBQ-UHFFFAOYSA-N 2 2 387.513 1.137 20 0 GDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc[nH+]c(N)n4)CC3)C2=O)cs1 ZINC001164820247 720375610 /nfs/dbraw/zinc/37/56/10/720375610.db2.gz MTEGMNJBWSLGBQ-UHFFFAOYSA-N 2 2 387.513 1.137 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C\C(=O)OC)CC[C@H]2C1 ZINC001164856087 720868601 /nfs/dbraw/zinc/86/86/01/720868601.db2.gz OTFPGLNYSLOEBD-WFRZBGSESA-N 2 2 389.496 1.750 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C\C(=O)OC)CC[C@H]2C1 ZINC001164856087 720868602 /nfs/dbraw/zinc/86/86/02/720868602.db2.gz OTFPGLNYSLOEBD-WFRZBGSESA-N 2 2 389.496 1.750 20 0 GDADLP Cc1c[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1NC1CC1 ZINC001164755245 720943688 /nfs/dbraw/zinc/94/36/88/720943688.db2.gz ZXZRHWIVAXSQEB-UHFFFAOYSA-N 2 2 385.472 1.201 20 0 GDADLP Cc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)c2c([nH+]1)CCC2 ZINC001164874447 721282314 /nfs/dbraw/zinc/28/23/14/721282314.db2.gz RVDJUZRNQXHJIR-UHFFFAOYSA-N 2 2 387.528 1.281 20 0 GDADLP Cc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)c2c([nH+]1)CCC2 ZINC001164874447 721282318 /nfs/dbraw/zinc/28/23/18/721282318.db2.gz RVDJUZRNQXHJIR-UHFFFAOYSA-N 2 2 387.528 1.281 20 0 GDADLP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[N@@H+](Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164782088 721432557 /nfs/dbraw/zinc/43/25/57/721432557.db2.gz FXPMSOMKMDSUAN-IYBDPMFKSA-N 2 2 385.541 1.253 20 0 GDADLP C[NH+]1CCN(c2nccc(N3C[C@@H]4C[N@H+](Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164782088 721432562 /nfs/dbraw/zinc/43/25/62/721432562.db2.gz FXPMSOMKMDSUAN-IYBDPMFKSA-N 2 2 385.541 1.253 20 0 GDADLP O=C(Cn1cc[nH+]c1)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271743 945649807 /nfs/dbraw/zinc/64/98/07/945649807.db2.gz IRXMPBUFLCKROL-OCCSQVGLSA-N 2 2 386.485 1.199 20 0 GDADLP C[N@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821595471 945734529 /nfs/dbraw/zinc/73/45/29/945734529.db2.gz YCRRPUHTHQZBJB-LJQANCHMSA-N 2 2 396.499 1.193 20 0 GDADLP C[N@@H+](C[C@@H](O)c1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821595471 945734540 /nfs/dbraw/zinc/73/45/40/945734540.db2.gz YCRRPUHTHQZBJB-LJQANCHMSA-N 2 2 396.499 1.193 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281882 945819650 /nfs/dbraw/zinc/81/96/50/945819650.db2.gz BMWZPBZMPXCLCP-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281882 945819660 /nfs/dbraw/zinc/81/96/60/945819660.db2.gz BMWZPBZMPXCLCP-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281882 945819672 /nfs/dbraw/zinc/81/96/72/945819672.db2.gz BMWZPBZMPXCLCP-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281882 945819685 /nfs/dbraw/zinc/81/96/85/945819685.db2.gz BMWZPBZMPXCLCP-DOTOQJQBSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281886 945821465 /nfs/dbraw/zinc/82/14/65/945821465.db2.gz BMWZPBZMPXCLCP-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281886 945821480 /nfs/dbraw/zinc/82/14/80/945821480.db2.gz BMWZPBZMPXCLCP-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281886 945821495 /nfs/dbraw/zinc/82/14/95/945821495.db2.gz BMWZPBZMPXCLCP-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281886 945821509 /nfs/dbraw/zinc/82/15/09/945821509.db2.gz BMWZPBZMPXCLCP-RDJZCZTQSA-N 2 2 387.463 1.181 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295452 946165289 /nfs/dbraw/zinc/16/52/89/946165289.db2.gz TWRUFSXWYHTPKN-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295452 946165298 /nfs/dbraw/zinc/16/52/98/946165298.db2.gz TWRUFSXWYHTPKN-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295452 946165301 /nfs/dbraw/zinc/16/53/01/946165301.db2.gz TWRUFSXWYHTPKN-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001571295452 946165303 /nfs/dbraw/zinc/16/53/03/946165303.db2.gz TWRUFSXWYHTPKN-KGLIPLIRSA-N 2 2 389.529 1.351 20 0 GDADLP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066256 947062410 /nfs/dbraw/zinc/06/24/10/947062410.db2.gz AMIYLWCTNKHJJV-LSDHHAIUSA-N 2 2 385.516 1.724 20 0 GDADLP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC2 ZINC000826034828 947414092 /nfs/dbraw/zinc/41/40/92/947414092.db2.gz WVKFAGWQSHJTOF-UHFFFAOYSA-N 2 2 375.502 1.817 20 0 GDADLP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1sccc1-c1nn[nH]n1)CC2 ZINC000826034828 947414103 /nfs/dbraw/zinc/41/41/03/947414103.db2.gz WVKFAGWQSHJTOF-UHFFFAOYSA-N 2 2 375.502 1.817 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000826514167 948438724 /nfs/dbraw/zinc/43/87/24/948438724.db2.gz JGWLENSPQUXAFV-LJQANCHMSA-N 2 2 386.500 1.616 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574726219 949929000 /nfs/dbraw/zinc/92/90/00/949929000.db2.gz XUADOQLJOKQRQD-GFCCVEGCSA-N 2 2 388.501 1.231 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285215 949936059 /nfs/dbraw/zinc/93/60/59/949936059.db2.gz LUWXLQCPKRETDB-HUUCEWRRSA-N 2 2 386.504 1.323 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001575285215 949936079 /nfs/dbraw/zinc/93/60/79/949936079.db2.gz LUWXLQCPKRETDB-HUUCEWRRSA-N 2 2 386.504 1.323 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2-c2nn[nH]n2)CCN1C(=O)Cc1[nH]cc[nH+]1 ZINC001575902017 950245200 /nfs/dbraw/zinc/24/52/00/950245200.db2.gz RNAFQXQVBKGJIR-XHDPSFHLSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575905732 950300941 /nfs/dbraw/zinc/30/09/41/950300941.db2.gz DTQRRNYXLYQTNM-ZBEGNZNMSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H](CC(=O)NCC1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574501490 950337946 /nfs/dbraw/zinc/33/79/46/950337946.db2.gz DWNBQCJPVCAJGN-CQSZACIVSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574517721 950644436 /nfs/dbraw/zinc/64/44/36/950644436.db2.gz LTGBXWJBUMCVPD-BPUTZDHNSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574517726 950645416 /nfs/dbraw/zinc/64/54/16/950645416.db2.gz LTGBXWJBUMCVPD-FVQBIDKESA-N 2 2 380.456 1.451 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574521447 950778211 /nfs/dbraw/zinc/77/82/11/950778211.db2.gz GGELCSURKIJTMR-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574523455 950814093 /nfs/dbraw/zinc/81/40/93/950814093.db2.gz NSKPBFHWGVPXLD-NWDGAFQWSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574523903 950839535 /nfs/dbraw/zinc/83/95/35/950839535.db2.gz RXSIHOXRXJLWPG-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001575080128 951704812 /nfs/dbraw/zinc/70/48/12/951704812.db2.gz VPXACUBHJSYZBC-CYBMUJFWSA-N 2 2 386.435 1.135 20 0 GDADLP C[C@](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001575091072 951767641 /nfs/dbraw/zinc/76/76/41/951767641.db2.gz NNHNJJAEBVLXBQ-LJQANCHMSA-N 2 2 380.456 1.207 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167186 952771837 /nfs/dbraw/zinc/77/18/37/952771837.db2.gz XRPJKNSSCYCGKS-CJNGLKHVSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)Cc2c[nH]c[nH+]2)CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571167186 952771841 /nfs/dbraw/zinc/77/18/41/952771841.db2.gz XRPJKNSSCYCGKS-CJNGLKHVSA-N 2 2 380.456 1.302 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000167068976 530583792 /nfs/dbraw/zinc/58/37/92/530583792.db2.gz BDEQFEIQOZYTPA-ROUUACIJSA-N 2 2 375.579 1.622 20 0 GDADLP COCCCS(=O)(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000167068976 530583793 /nfs/dbraw/zinc/58/37/93/530583793.db2.gz BDEQFEIQOZYTPA-ROUUACIJSA-N 2 2 375.579 1.622 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2c(Cl)cccc2Cl)CC1 ZINC000051762525 530681683 /nfs/dbraw/zinc/68/16/83/530681683.db2.gz DONGKCTVAAZDND-CYBMUJFWSA-N 2 2 390.311 1.439 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245458783 531057324 /nfs/dbraw/zinc/05/73/24/531057324.db2.gz DBYXFPPONBALPF-MSOLQXFVSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000245458783 531057326 /nfs/dbraw/zinc/05/73/26/531057326.db2.gz DBYXFPPONBALPF-MSOLQXFVSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000245458783 531057330 /nfs/dbraw/zinc/05/73/30/531057330.db2.gz DBYXFPPONBALPF-MSOLQXFVSA-N 2 2 375.579 1.529 20 0 GDADLP COCCCS(=O)(=O)NCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000245458783 531057333 /nfs/dbraw/zinc/05/73/33/531057333.db2.gz DBYXFPPONBALPF-MSOLQXFVSA-N 2 2 375.579 1.529 20 0 GDADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000133593740 531093728 /nfs/dbraw/zinc/09/37/28/531093728.db2.gz UVSBJLHHACXDEQ-KRWDZBQOSA-N 2 2 396.329 1.860 20 0 GDADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccc(Br)cc3)CC2)C1 ZINC000133593740 531093729 /nfs/dbraw/zinc/09/37/29/531093729.db2.gz UVSBJLHHACXDEQ-KRWDZBQOSA-N 2 2 396.329 1.860 20 0 GDADLP C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261797587 531098987 /nfs/dbraw/zinc/09/89/87/531098987.db2.gz QRKZUXZEZCSPMT-IGCXYCKISA-N 2 2 384.318 1.537 20 0 GDADLP C[C@H](O)C[N@H+]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261797587 531098990 /nfs/dbraw/zinc/09/89/90/531098990.db2.gz QRKZUXZEZCSPMT-IGCXYCKISA-N 2 2 384.318 1.537 20 0 GDADLP Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880927 531101155 /nfs/dbraw/zinc/10/11/55/531101155.db2.gz MLJCAILIUCDLNS-GXTWGEPZSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261880927 531101157 /nfs/dbraw/zinc/10/11/57/531101157.db2.gz MLJCAILIUCDLNS-GXTWGEPZSA-N 2 2 384.322 1.263 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000261884248 531101766 /nfs/dbraw/zinc/10/17/66/531101766.db2.gz 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CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826068662 609253045 /nfs/dbraw/zinc/25/30/45/609253045.db2.gz VNMNSNNEZPNYRF-SFHVURJKSA-N 2 2 385.516 1.581 20 0 GDADLP C[C@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cncc(Br)c1 ZINC000565845289 650817603 /nfs/dbraw/zinc/81/76/03/650817603.db2.gz SYUUFGPGLCGQNP-HNNXBMFYSA-N 2 2 385.350 1.885 20 0 GDADLP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@@H](C)C1 ZINC000329190915 645301742 /nfs/dbraw/zinc/30/17/42/645301742.db2.gz RZPMAIHGIYKXRW-HOCLYGCPSA-N 2 2 387.571 1.589 20 0 GDADLP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCOCC3)s2)[C@@H](C)C1 ZINC000329190915 645301746 /nfs/dbraw/zinc/30/17/46/645301746.db2.gz RZPMAIHGIYKXRW-HOCLYGCPSA-N 2 2 387.571 1.589 20 0 GDADLP [NH3+]C[C@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000572241837 651092815 /nfs/dbraw/zinc/09/28/15/651092815.db2.gz JVCYVROWIXMKQV-JKSUJKDBSA-N 2 2 382.302 1.772 20 0 GDADLP C[N@@H+]1CCC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595944064 652428332 /nfs/dbraw/zinc/42/83/32/652428332.db2.gz UNYHLXFNXLWROB-MRVPVSSYSA-N 2 2 391.278 1.780 20 0 GDADLP C[N@H+]1CCC[C@@H](NC(=O)c2sc3c(c2I)C[NH2+]C3)C1 ZINC000595944064 652428336 /nfs/dbraw/zinc/42/83/36/652428336.db2.gz UNYHLXFNXLWROB-MRVPVSSYSA-N 2 2 391.278 1.780 20 0 GDADLP COc1ccc(Br)cc1CC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000617766470 652976307 /nfs/dbraw/zinc/97/63/07/652976307.db2.gz LQLQFLNUIQIJEE-UHFFFAOYSA-N 2 2 386.334 2.000 20 0 GDADLP COc1ccc(Br)cc1CC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000617766470 652976309 /nfs/dbraw/zinc/97/63/09/652976309.db2.gz LQLQFLNUIQIJEE-UHFFFAOYSA-N 2 2 386.334 2.000 20 0 GDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638594585 653541099 /nfs/dbraw/zinc/54/10/99/653541099.db2.gz JQPFFOCDOIOPAP-ZFWWWQNUSA-N 2 2 375.560 1.622 20 0 GDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638594585 653541101 /nfs/dbraw/zinc/54/11/01/653541101.db2.gz JQPFFOCDOIOPAP-ZFWWWQNUSA-N 2 2 375.560 1.622 20 0 GDADLP C[NH+](C)[C@@H]1CCN(c2ccc(NCc3ccc(S(N)(=O)=O)s3)[nH+]c2)C1 ZINC000638790197 653543696 /nfs/dbraw/zinc/54/36/96/653543696.db2.gz WHZZBSFUYFAUQL-CYBMUJFWSA-N 2 2 381.527 1.543 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278962 653666413 /nfs/dbraw/zinc/66/64/13/653666413.db2.gz OVYPGYQRHZZMQY-SJLPKXTDSA-N 2 2 396.329 1.946 20 0 GDADLP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963876 655363073 /nfs/dbraw/zinc/36/30/73/655363073.db2.gz WQQDIMFKNUGMAH-HIFRSBDPSA-N 2 2 391.559 1.580 20 0 GDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2nc3ccccn3c2Br)C1 ZINC000843048011 655387286 /nfs/dbraw/zinc/38/72/86/655387286.db2.gz IYANSNVRILOHKN-LBPRGKRZSA-N 2 2 380.290 1.384 20 0 GDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](Cc2nc3ccccn3c2Br)C1 ZINC000843048011 655387289 /nfs/dbraw/zinc/38/72/89/655387289.db2.gz IYANSNVRILOHKN-LBPRGKRZSA-N 2 2 380.290 1.384 20 0 GDADLP COc1nc(Br)ccc1NC(=O)NCC[N@H+](C)CCC[NH+](C)C ZINC000822907145 655453508 /nfs/dbraw/zinc/45/35/08/655453508.db2.gz ZFVDAYPDCDVHOH-UHFFFAOYSA-N 2 2 388.310 1.858 20 0 GDADLP COc1nc(Br)ccc1NC(=O)NCC[N@@H+](C)CCC[NH+](C)C ZINC000822907145 655453510 /nfs/dbraw/zinc/45/35/10/655453510.db2.gz ZFVDAYPDCDVHOH-UHFFFAOYSA-N 2 2 388.310 1.858 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000850596192 655560124 /nfs/dbraw/zinc/56/01/24/655560124.db2.gz MWOSPOVRZFGEBL-UHFFFAOYSA-N 2 2 390.315 1.514 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 ZINC000850596192 655560126 /nfs/dbraw/zinc/56/01/26/655560126.db2.gz MWOSPOVRZFGEBL-UHFFFAOYSA-N 2 2 390.315 1.514 20 0 GDADLP CN(C(=O)c1cc(N)nc(Br)c1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460630 656471770 /nfs/dbraw/zinc/47/17/70/656471770.db2.gz XSGVBXORUHUOLV-AWEZNQCLSA-N 2 2 396.333 1.667 20 0 GDADLP CN(C(=O)c1cc(N)nc(Br)c1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460630 656471772 /nfs/dbraw/zinc/47/17/72/656471772.db2.gz XSGVBXORUHUOLV-AWEZNQCLSA-N 2 2 396.333 1.667 20 0 GDADLP CCn1ncc(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874460791 656471803 /nfs/dbraw/zinc/47/18/03/656471803.db2.gz ZSWUKCBVZLTSPF-AWEZNQCLSA-N 2 2 398.349 1.906 20 0 GDADLP CCn1ncc(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874460791 656471805 /nfs/dbraw/zinc/47/18/05/656471805.db2.gz ZSWUKCBVZLTSPF-AWEZNQCLSA-N 2 2 398.349 1.906 20 0 GDADLP NC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448289 656553638 /nfs/dbraw/zinc/55/36/38/656553638.db2.gz BCZLSIKZHBKHBB-HUUCEWRRSA-N 2 2 382.302 1.805 20 0 GDADLP C[NH+]1CCC(NC(=O)C[NH+]2CCN(c3ccc(Br)cc3)CC2)CC1 ZINC000878934771 656761200 /nfs/dbraw/zinc/76/12/00/656761200.db2.gz SEUSXTGXWIKDBH-UHFFFAOYSA-N 2 2 395.345 1.782 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000884331894 657347734 /nfs/dbraw/zinc/34/77/34/657347734.db2.gz ZSQUBBJVCBFCAA-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000884331894 657347744 /nfs/dbraw/zinc/34/77/44/657347744.db2.gz ZSQUBBJVCBFCAA-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ncc(Br)cn3)C2)CC1 ZINC000893021028 658368604 /nfs/dbraw/zinc/36/86/04/658368604.db2.gz CBRNDWLBPIAVNJ-ZDUSSCGKSA-N 2 2 397.321 1.207 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)NCc3ncc(Br)cn3)C2)CC1 ZINC000893021028 658368613 /nfs/dbraw/zinc/36/86/13/658368613.db2.gz CBRNDWLBPIAVNJ-ZDUSSCGKSA-N 2 2 397.321 1.207 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849407 720830790 /nfs/dbraw/zinc/83/07/90/720830790.db2.gz POEDAJIJJGRYAT-QZTJIDSGSA-N 2 2 375.517 1.780 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849407 720830796 /nfs/dbraw/zinc/83/07/96/720830796.db2.gz POEDAJIJJGRYAT-QZTJIDSGSA-N 2 2 375.517 1.780 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@@]4(C(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164884201 721343210 /nfs/dbraw/zinc/34/32/10/721343210.db2.gz NFALIIUFXMZKRK-PGRDOPGGSA-N 2 2 399.539 1.345 20 0 GDADLP Cc1noc(C)c1C[N@@H+]1CCOC[C@]2(CCCN(c3ncnc4c3C[NH2+]C4)C2)C1 ZINC001164778779 721344156 /nfs/dbraw/zinc/34/41/56/721344156.db2.gz OMVBOSNASRCUPV-OAQYLSRUSA-N 2 2 398.511 1.804 20 0 GDADLP Cc1noc(C)c1C[N@H+]1CCOC[C@]2(CCCN(c3ncnc4c3C[NH2+]C4)C2)C1 ZINC001164778779 721344163 /nfs/dbraw/zinc/34/41/63/721344163.db2.gz OMVBOSNASRCUPV-OAQYLSRUSA-N 2 2 398.511 1.804 20 0 GDADLP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000824669907 946891011 /nfs/dbraw/zinc/89/10/11/946891011.db2.gz IAPPLLQSYSCPNA-INIZCTEOSA-N 2 2 384.406 1.734 20 0 GDADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029801 947409676 /nfs/dbraw/zinc/40/96/76/947409676.db2.gz XAYMPAOKCNZMLL-QAPCUYQASA-N 2 2 383.500 1.636 20 0 GDADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029801 947409683 /nfs/dbraw/zinc/40/96/83/947409683.db2.gz XAYMPAOKCNZMLL-QAPCUYQASA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029801 947409690 /nfs/dbraw/zinc/40/96/90/947409690.db2.gz XAYMPAOKCNZMLL-QAPCUYQASA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029801 947409698 /nfs/dbraw/zinc/40/96/98/947409698.db2.gz XAYMPAOKCNZMLL-QAPCUYQASA-N 2 2 383.500 1.636 20 0 GDADLP C[C@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(c2c[nH+]cn2C)CC1 ZINC001573756152 948800183 /nfs/dbraw/zinc/80/01/83/948800183.db2.gz MKWHQCRVQGSGSJ-CYBMUJFWSA-N 2 2 380.456 1.807 20 0 GDADLP C[C@@H](CNC(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574919388 948877069 /nfs/dbraw/zinc/87/70/69/948877069.db2.gz YBTYAKVIOIEDLG-ZDUSSCGKSA-N 2 2 386.435 1.277 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263779 949405740 /nfs/dbraw/zinc/40/57/40/949405740.db2.gz JKJCGRBFSOILCC-SJKOYZFVSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263779 949405749 /nfs/dbraw/zinc/40/57/49/949405749.db2.gz JKJCGRBFSOILCC-SJKOYZFVSA-N 2 2 387.463 1.037 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001573810956 949587553 /nfs/dbraw/zinc/58/75/53/949587553.db2.gz FZLDDKWIOKAHDZ-INIZCTEOSA-N 2 2 382.472 1.384 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879383 949688807 /nfs/dbraw/zinc/68/88/07/949688807.db2.gz QMNMZJHSNAYDLB-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1 ZINC001575879383 949688826 /nfs/dbraw/zinc/68/88/26/949688826.db2.gz QMNMZJHSNAYDLB-HIFRSBDPSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H](C[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576202879 950438838 /nfs/dbraw/zinc/43/88/38/950438838.db2.gz DNTTUZBGSWQQGL-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001576202879 950438855 /nfs/dbraw/zinc/43/88/55/950438855.db2.gz DNTTUZBGSWQQGL-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001576202879 950438864 /nfs/dbraw/zinc/43/88/64/950438864.db2.gz DNTTUZBGSWQQGL-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001576202879 950438874 /nfs/dbraw/zinc/43/88/74/950438874.db2.gz DNTTUZBGSWQQGL-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1c[nH]c[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC001574522807 950797486 /nfs/dbraw/zinc/79/74/86/950797486.db2.gz LCJMWUDKGMPZNA-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001575078953 951686112 /nfs/dbraw/zinc/68/61/12/951686112.db2.gz BHVARXSUTSSUIW-ZDUSSCGKSA-N 2 2 386.435 1.135 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120089 952499354 /nfs/dbraw/zinc/49/93/54/952499354.db2.gz HUNLDMWPEUALFO-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120089 952499361 /nfs/dbraw/zinc/49/93/61/952499361.db2.gz HUNLDMWPEUALFO-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120089 952499370 /nfs/dbraw/zinc/49/93/70/952499370.db2.gz HUNLDMWPEUALFO-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120089 952499377 /nfs/dbraw/zinc/49/93/77/952499377.db2.gz HUNLDMWPEUALFO-TZMCWYRMSA-N 2 2 375.502 1.103 20 0 GDADLP CSCC[C@@H]1NC(=S)N(CC2([NH+]3CCCCC3)CC[NH+](C)CC2)C1=O ZINC000172843630 530618410 /nfs/dbraw/zinc/61/84/10/530618410.db2.gz OAPAVEWDEYFXFW-HNNXBMFYSA-N 2 2 384.615 1.775 20 0 GDADLP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@@H](C)O1 ZINC000066482546 530762916 /nfs/dbraw/zinc/76/29/16/530762916.db2.gz NXTVNHFBDIFUMO-BZUAXINKSA-N 2 2 387.977 1.989 20 0 GDADLP C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126178746 531015300 /nfs/dbraw/zinc/01/53/00/531015300.db2.gz VFCZMDIAJMTBGC-SGANQWHYSA-N 2 2 383.583 1.873 20 0 GDADLP C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126178746 531015303 /nfs/dbraw/zinc/01/53/03/531015303.db2.gz VFCZMDIAJMTBGC-SGANQWHYSA-N 2 2 383.583 1.873 20 0 GDADLP [NH3+][C@@H]1CC[C@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]12 ZINC000261719405 531097500 /nfs/dbraw/zinc/09/75/00/531097500.db2.gz KAGJXZSNLBGCDL-ZLKJLUDKSA-N 2 2 385.249 1.899 20 0 GDADLP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]12 ZINC000261719405 531097501 /nfs/dbraw/zinc/09/75/01/531097501.db2.gz KAGJXZSNLBGCDL-ZLKJLUDKSA-N 2 2 385.249 1.899 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC000261792986 531099171 /nfs/dbraw/zinc/09/91/71/531099171.db2.gz NRKDCRFJLUEVSR-INIZCTEOSA-N 2 2 388.921 1.200 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1Cl ZINC000261792986 531099176 /nfs/dbraw/zinc/09/91/76/531099176.db2.gz NRKDCRFJLUEVSR-INIZCTEOSA-N 2 2 388.921 1.200 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1ncc(Br)cc1Br ZINC000135327791 531107984 /nfs/dbraw/zinc/10/79/84/531107984.db2.gz GUPIRWLEDGKAOM-UHFFFAOYSA-N 2 2 392.139 1.944 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ncc(Br)cc1Br ZINC000135327791 531107985 /nfs/dbraw/zinc/10/79/85/531107985.db2.gz GUPIRWLEDGKAOM-UHFFFAOYSA-N 2 2 392.139 1.944 20 0 GDADLP C[N@@H+]1CCN(C(=O)Nc2ccc(F)cc2I)[C@H](C[NH3+])C1 ZINC000519529619 531213004 /nfs/dbraw/zinc/21/30/04/531213004.db2.gz XYSOOSGBPJTYKJ-SNVBAGLBSA-N 2 2 392.216 1.537 20 0 GDADLP C[N@H+]1CCN(C(=O)Nc2ccc(F)cc2I)[C@H](C[NH3+])C1 ZINC000519529619 531213008 /nfs/dbraw/zinc/21/30/08/531213008.db2.gz XYSOOSGBPJTYKJ-SNVBAGLBSA-N 2 2 392.216 1.537 20 0 GDADLP Cn1cc[nH+]c1N1CC[NH+](C[C@@H](O)COc2ccc(Br)cc2)CC1 ZINC000534110712 531433778 /nfs/dbraw/zinc/43/37/78/531433778.db2.gz BQTRTDXMFNJTER-OAHLLOKOSA-N 2 2 395.301 1.745 20 0 GDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000414364438 531443954 /nfs/dbraw/zinc/44/39/54/531443954.db2.gz ZUMDPGYNQXRYCG-ZYHUDNBSSA-N 2 2 376.320 1.669 20 0 GDADLP C[C@@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000414364438 531443955 /nfs/dbraw/zinc/44/39/55/531443955.db2.gz ZUMDPGYNQXRYCG-ZYHUDNBSSA-N 2 2 376.320 1.669 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](Cc2ccc(I)cc2)C1 ZINC000486431047 531451011 /nfs/dbraw/zinc/45/10/11/531451011.db2.gz BVWNANHFTXBICJ-HNNXBMFYSA-N 2 2 399.276 1.687 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](Cc2ccc(I)cc2)C1 ZINC000486431047 531451014 /nfs/dbraw/zinc/45/10/14/531451014.db2.gz BVWNANHFTXBICJ-HNNXBMFYSA-N 2 2 399.276 1.687 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@@H+](CCOc2ccc(Br)cc2)C1 ZINC000486454388 531451809 /nfs/dbraw/zinc/45/18/09/531451809.db2.gz ISTNIUWJIFTSPM-HNNXBMFYSA-N 2 2 382.302 1.724 20 0 GDADLP O=C1C[NH2+]CCN1[C@H]1CCC[N@H+](CCOc2ccc(Br)cc2)C1 ZINC000486454388 531451812 /nfs/dbraw/zinc/45/18/12/531451812.db2.gz ISTNIUWJIFTSPM-HNNXBMFYSA-N 2 2 382.302 1.724 20 0 GDADLP FC(F)(F)CC[NH+]1CCC([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414993913 531464596 /nfs/dbraw/zinc/46/45/96/531464596.db2.gz UVPJMPDOFNRUBC-ZDUSSCGKSA-N 3 2 376.389 1.829 20 0 GDADLP Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000658428950 531510818 /nfs/dbraw/zinc/51/08/18/531510818.db2.gz QBDJQFCBHXNOGV-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Br ZINC000658428950 531510823 /nfs/dbraw/zinc/51/08/23/531510823.db2.gz QBDJQFCBHXNOGV-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(Br)c2)[C@H](C)C[NH2+]1 ZINC000415576569 531496847 /nfs/dbraw/zinc/49/68/47/531496847.db2.gz YHRHRQUKWQFFKW-VXGBXAGGSA-N 2 2 397.317 1.658 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000658427179 531509421 /nfs/dbraw/zinc/50/94/21/531509421.db2.gz MLQJJSJVGDNJMG-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl ZINC000658427179 531509424 /nfs/dbraw/zinc/50/94/24/531509424.db2.gz MLQJJSJVGDNJMG-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP [NH3+][C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)NC[C@H]1CSCCS1 ZINC000269207444 531623075 /nfs/dbraw/zinc/62/30/75/531623075.db2.gz FCLMCPGISHXEIH-IRXDYDNUSA-N 2 2 376.551 1.766 20 0 GDADLP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000638152499 531644917 /nfs/dbraw/zinc/64/49/17/531644917.db2.gz LHMIGNRDCDJGMW-UHFFFAOYSA-N 2 2 386.587 1.386 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662453607 531679203 /nfs/dbraw/zinc/67/92/03/531679203.db2.gz UYZDAWDTCRKURC-MRXNPFEDSA-N 2 2 397.317 1.118 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1Br ZINC000639150043 531682531 /nfs/dbraw/zinc/68/25/31/531682531.db2.gz XXCZBCYKULVRIU-UHFFFAOYSA-N 2 2 399.314 1.919 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000662654423 531692090 /nfs/dbraw/zinc/69/20/90/531692090.db2.gz CJTBRGRUAOMYRI-WBVHZDCISA-N 2 2 382.302 1.556 20 0 GDADLP C[C@H]([NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000562311614 531745455 /nfs/dbraw/zinc/74/54/55/531745455.db2.gz UODSGPUGZICOLR-DZGCQCFKSA-N 2 2 397.317 1.428 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1c(F)ccc(I)c1F ZINC000592428409 531785109 /nfs/dbraw/zinc/78/51/09/531785109.db2.gz JCYVMBRKGLKEBG-UHFFFAOYSA-N 2 2 395.235 1.906 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1c(F)ccc(I)c1F ZINC000592428409 531785116 /nfs/dbraw/zinc/78/51/16/531785116.db2.gz JCYVMBRKGLKEBG-UHFFFAOYSA-N 2 2 395.235 1.906 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+]Cc2c[nH]nc2-c2ccc(Br)s2)CC1 ZINC000623381534 531811724 /nfs/dbraw/zinc/81/17/24/531811724.db2.gz YRDPRPHVBRRYIE-UHFFFAOYSA-N 2 2 398.330 1.764 20 0 GDADLP Cc1cc(C[NH2+][C@@H]2CCN(CC[NH+]3CCOCC3)C2)ncc1Br ZINC000623420415 531814104 /nfs/dbraw/zinc/81/41/04/531814104.db2.gz AXRFSPYLQJLKJG-OAHLLOKOSA-N 2 2 383.334 1.649 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000563571833 531853923 /nfs/dbraw/zinc/85/39/23/531853923.db2.gz HCAMYVRNKKHCLU-HOCLYGCPSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccc(Br)cc3)C2)[C@@H](C[NH3+])C1 ZINC000563571833 531853926 /nfs/dbraw/zinc/85/39/26/531853926.db2.gz HCAMYVRNKKHCLU-HOCLYGCPSA-N 2 2 396.333 1.312 20 0 GDADLP C[C@H](CSCCF)[NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595018120 531864525 /nfs/dbraw/zinc/86/45/25/531864525.db2.gz QEBLJLCXHQBBRO-OAHLLOKOSA-N 2 2 390.550 1.214 20 0 GDADLP CC1([NH3+])CC[NH+](CC(=O)NCC(=O)Nc2ccccc2Br)CC1 ZINC000647926960 531905099 /nfs/dbraw/zinc/90/50/99/531905099.db2.gz UBIMQVTYHDNFRQ-UHFFFAOYSA-N 2 2 383.290 1.317 20 0 GDADLP O[C@H](COc1ccc(Br)cc1)C[NH+]1CCC([NH+]2CCOCC2)CC1 ZINC000625554116 531905441 /nfs/dbraw/zinc/90/54/41/531905441.db2.gz IVWFDICQVGCTME-KRWDZBQOSA-N 2 2 399.329 1.985 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000649320807 531926698 /nfs/dbraw/zinc/92/66/98/531926698.db2.gz ANUBWISHEJGONH-LZLYRXPVSA-N 2 2 396.329 1.681 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000284309015 531946385 /nfs/dbraw/zinc/94/63/85/531946385.db2.gz JGPMVAAVSBNQAW-OAHLLOKOSA-N 2 2 398.301 1.665 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@@H]2C(N)=O)c(Br)c1 ZINC000284309015 531946389 /nfs/dbraw/zinc/94/63/89/531946389.db2.gz JGPMVAAVSBNQAW-OAHLLOKOSA-N 2 2 398.301 1.665 20 0 GDADLP O[C@@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000573132721 531975874 /nfs/dbraw/zinc/97/58/74/531975874.db2.gz HENWQRTYSVCOTC-CQSZACIVSA-N 2 2 381.274 1.734 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142903 532058029 /nfs/dbraw/zinc/05/80/29/532058029.db2.gz LFOXBPYXNQMUAA-LSDHHAIUSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142903 532058036 /nfs/dbraw/zinc/05/80/36/532058036.db2.gz LFOXBPYXNQMUAA-LSDHHAIUSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142902 532058410 /nfs/dbraw/zinc/05/84/10/532058410.db2.gz LFOXBPYXNQMUAA-HUUCEWRRSA-N 2 2 375.270 1.741 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2C[N@@H+](Cc3cc(Br)cc4cccnc43)CCN2C1=O ZINC000579142902 532058417 /nfs/dbraw/zinc/05/84/17/532058417.db2.gz LFOXBPYXNQMUAA-HUUCEWRRSA-N 2 2 375.270 1.741 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423109600 532073008 /nfs/dbraw/zinc/07/30/08/532073008.db2.gz NWSZYTVUMYKDFV-WBVHZDCISA-N 2 2 387.933 1.283 20 0 GDADLP C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000469739038 532077732 /nfs/dbraw/zinc/07/77/32/532077732.db2.gz CZRLEPAHQXIFLB-GFCCVEGCSA-N 2 2 397.317 1.790 20 0 GDADLP C[C@@H]1CN(C(=O)c2cc[nH]c(=O)c2Br)CC[N@H+]1C1CC[NH+](C)CC1 ZINC000469739038 532077735 /nfs/dbraw/zinc/07/77/35/532077735.db2.gz CZRLEPAHQXIFLB-GFCCVEGCSA-N 2 2 397.317 1.790 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425426924 532139172 /nfs/dbraw/zinc/13/91/72/532139172.db2.gz SXCFXHFGMKLXJF-HNNXBMFYSA-N 2 2 389.587 1.931 20 0 GDADLP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425426924 532139178 /nfs/dbraw/zinc/13/91/78/532139178.db2.gz SXCFXHFGMKLXJF-HNNXBMFYSA-N 2 2 389.587 1.931 20 0 GDADLP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333331649 532229629 /nfs/dbraw/zinc/22/96/29/532229629.db2.gz OKSDGTWQPIWKFR-AAEUAGOBSA-N 2 2 398.305 1.800 20 0 GDADLP CC(C)[C@@](C)(C[NH3+])[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000430592277 532252982 /nfs/dbraw/zinc/25/29/82/532252982.db2.gz PXNZGRAUTFNWGR-WMLDXEAASA-N 2 2 387.571 1.227 20 0 GDADLP C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC[NH2+]CC1 ZINC000430625210 532253746 /nfs/dbraw/zinc/25/37/46/532253746.db2.gz PZMMQZNTMFIZCU-UHFFFAOYSA-N 2 2 386.327 1.721 20 0 GDADLP C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC[NH2+]CC1 ZINC000430625210 532253749 /nfs/dbraw/zinc/25/37/49/532253749.db2.gz PZMMQZNTMFIZCU-UHFFFAOYSA-N 2 2 386.327 1.721 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000430641878 532254676 /nfs/dbraw/zinc/25/46/76/532254676.db2.gz NDBZYOFSMBLPNA-LBPRGKRZSA-N 2 2 388.921 1.342 20 0 GDADLP CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[N@H+]2CCC[C@H]([NH3+])C2)c1 ZINC000430641878 532254680 /nfs/dbraw/zinc/25/46/80/532254680.db2.gz NDBZYOFSMBLPNA-LBPRGKRZSA-N 2 2 388.921 1.342 20 0 GDADLP C[C@@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527488 532326906 /nfs/dbraw/zinc/32/69/06/532326906.db2.gz AAGCHIJSBCDUBD-HIFRSBDPSA-N 2 2 397.317 1.428 20 0 GDADLP Cc1ccc(C[NH2+]C[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)nc1 ZINC000549937317 570929651 /nfs/dbraw/zinc/92/96/51/570929651.db2.gz QMBLOQFBDQLTOS-QGZVFWFLSA-N 2 2 382.512 1.326 20 0 GDADLP O=C1[C@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290529 599289609 /nfs/dbraw/zinc/28/96/09/599289609.db2.gz PQHGLHRHKLDWKG-GDBMZVCRSA-N 2 2 378.440 1.336 20 0 GDADLP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237014 598716276 /nfs/dbraw/zinc/71/62/76/598716276.db2.gz NJQORSJLMHEAOB-HZPDHXFCSA-N 2 2 387.507 1.996 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=S)Nc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736850825 598761873 /nfs/dbraw/zinc/76/18/73/598761873.db2.gz CIFZBCVRPBVJRW-CYBMUJFWSA-N 2 2 386.529 1.322 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=S)Nc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736850825 598761874 /nfs/dbraw/zinc/76/18/74/598761874.db2.gz CIFZBCVRPBVJRW-CYBMUJFWSA-N 2 2 386.529 1.322 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)C(=O)Nc1sc2c(c1-c1nn[nH]n1)CCC2 ZINC000736133758 598786302 /nfs/dbraw/zinc/78/63/02/598786302.db2.gz SAIQOLCPIFRMHV-MNOVXSKESA-N 2 2 398.496 1.545 20 0 GDADLP CN(C)C(=O)CC[NH+]1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821575501 607480904 /nfs/dbraw/zinc/48/09/04/607480904.db2.gz DYPSCLGVJZSYMU-UHFFFAOYSA-N 2 2 375.452 1.038 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000826183436 607527829 /nfs/dbraw/zinc/52/78/29/607527829.db2.gz PDPMTXCBVKJIDP-SFHVURJKSA-N 2 2 385.516 1.477 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000826183436 607527830 /nfs/dbraw/zinc/52/78/30/607527830.db2.gz PDPMTXCBVKJIDP-SFHVURJKSA-N 2 2 385.516 1.477 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330723 607638115 /nfs/dbraw/zinc/63/81/15/607638115.db2.gz FYCVRDMDXGTDBL-MSOLQXFVSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826330723 607638116 /nfs/dbraw/zinc/63/81/16/607638116.db2.gz FYCVRDMDXGTDBL-MSOLQXFVSA-N 2 2 392.467 1.642 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822478951 606617514 /nfs/dbraw/zinc/61/75/14/606617514.db2.gz WFUYZAPOBYGRGA-KRWDZBQOSA-N 2 2 380.456 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000822478951 606617515 /nfs/dbraw/zinc/61/75/15/606617515.db2.gz WFUYZAPOBYGRGA-KRWDZBQOSA-N 2 2 380.456 1.152 20 0 GDADLP C[N@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821607239 607063906 /nfs/dbraw/zinc/06/39/06/607063906.db2.gz FQLXHABKPGEXDS-UHFFFAOYSA-N 2 2 384.463 1.799 20 0 GDADLP C[N@@H+](Cc1cc(F)ccc1-c1nn[nH]n1)C1CC[NH+](CCn2cccn2)CC1 ZINC000821607239 607063907 /nfs/dbraw/zinc/06/39/07/607063907.db2.gz FQLXHABKPGEXDS-UHFFFAOYSA-N 2 2 384.463 1.799 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545664 609333864 /nfs/dbraw/zinc/33/38/64/609333864.db2.gz DNWGCAOSPNFRON-CYBMUJFWSA-N 2 2 389.479 1.599 20 0 GDADLP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476597 609417389 /nfs/dbraw/zinc/41/73/89/609417389.db2.gz KYFKYJGFLLMVEP-DOTOQJQBSA-N 2 2 392.467 1.726 20 0 GDADLP O=C1[C@@H]([NH2+]C[C@H]2CCCn3cc[nH+]c32)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476600 609417759 /nfs/dbraw/zinc/41/77/59/609417759.db2.gz KYFKYJGFLLMVEP-WBVHZDCISA-N 2 2 392.467 1.726 20 0 GDADLP CN(C(=O)c1cc(Br)nn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000365289169 645583562 /nfs/dbraw/zinc/58/35/62/645583562.db2.gz XFGLBGRQINACBA-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1cc(Br)nn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000365289169 645583566 /nfs/dbraw/zinc/58/35/66/645583566.db2.gz XFGLBGRQINACBA-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP FC(F)(F)c1cnc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000570217331 651030394 /nfs/dbraw/zinc/03/03/94/651030394.db2.gz YFNUWOYJOZQYMZ-UHFFFAOYSA-N 2 2 377.842 1.781 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3c(Br)cnn3C)CC2)CC1 ZINC000422012757 646032291 /nfs/dbraw/zinc/03/22/91/646032291.db2.gz DTFBGKAUYYLSBC-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3c(Br)cnn3C)CC2)CC1 ZINC000422012757 646032297 /nfs/dbraw/zinc/03/22/97/646032297.db2.gz DTFBGKAUYYLSBC-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@@H]3CCC[NH2+]3)[nH+]c12 ZINC000514721791 648462161 /nfs/dbraw/zinc/46/21/61/648462161.db2.gz CBOAMKOOEGXDGM-ZDUSSCGKSA-N 2 2 380.290 1.999 20 0 GDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072748 651704267 /nfs/dbraw/zinc/70/42/67/651704267.db2.gz ARMSLZNFCQSKHK-OCCSQVGLSA-N 2 2 386.327 1.849 20 0 GDADLP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072748 651704272 /nfs/dbraw/zinc/70/42/72/651704272.db2.gz ARMSLZNFCQSKHK-OCCSQVGLSA-N 2 2 386.327 1.849 20 0 GDADLP C(C[NH+]1CCO[C@@]2(CCSC2)C1)OCC[N@@H+]1CCO[C@@]2(CCSC2)C1 ZINC000583260434 652032754 /nfs/dbraw/zinc/03/27/54/652032754.db2.gz PIQJVBPLJFFCQI-ROUUACIJSA-N 2 2 388.599 1.419 20 0 GDADLP C(C[NH+]1CCO[C@@]2(CCSC2)C1)OCC[N@H+]1CCO[C@@]2(CCSC2)C1 ZINC000583260434 652032759 /nfs/dbraw/zinc/03/27/59/652032759.db2.gz PIQJVBPLJFFCQI-ROUUACIJSA-N 2 2 388.599 1.419 20 0 GDADLP CCO[C@@H]1C[N@@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C[NH3+] ZINC000629550035 653171491 /nfs/dbraw/zinc/17/14/91/653171491.db2.gz WZLIUTUHYGTDRM-UHOFOFEASA-N 2 2 382.302 1.998 20 0 GDADLP CCO[C@@H]1C[N@H+]([C@H]2CCc3cc(Br)ccc3NC2=O)C[C@H]1C[NH3+] ZINC000629550035 653171497 /nfs/dbraw/zinc/17/14/97/653171497.db2.gz WZLIUTUHYGTDRM-UHOFOFEASA-N 2 2 382.302 1.998 20 0 GDADLP C[NH+](C)C1(CS(=O)(=O)NC[C@@H](c2cccs2)N2CC[NH+](C)CC2)CC1 ZINC000631795952 653255018 /nfs/dbraw/zinc/25/50/18/653255018.db2.gz PWNUAUQHDOSDAI-HNNXBMFYSA-N 2 2 386.587 1.050 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000631843684 653258647 /nfs/dbraw/zinc/25/86/47/653258647.db2.gz RNKWKEYXUXBAOA-VXGBXAGGSA-N 2 2 388.921 1.055 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Cl)c(S(=O)(=O)N(C)C)c2)C[C@H]1C[NH3+] ZINC000631843684 653258649 /nfs/dbraw/zinc/25/86/49/653258649.db2.gz RNKWKEYXUXBAOA-VXGBXAGGSA-N 2 2 388.921 1.055 20 0 GDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000644604178 653599563 /nfs/dbraw/zinc/59/95/63/653599563.db2.gz NDYPGMDKRBYTJL-MRXNPFEDSA-N 2 2 383.539 1.109 20 0 GDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCNS(=O)(=O)c1cccs1 ZINC000644604178 653599564 /nfs/dbraw/zinc/59/95/64/653599564.db2.gz NDYPGMDKRBYTJL-MRXNPFEDSA-N 2 2 383.539 1.109 20 0 GDADLP CN(C(=O)c1nn(C)cc1Br)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000645397936 653602484 /nfs/dbraw/zinc/60/24/84/653602484.db2.gz ASJJULMFOVXNMM-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1nn(C)cc1Br)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000645397936 653602485 /nfs/dbraw/zinc/60/24/85/653602485.db2.gz ASJJULMFOVXNMM-CYBMUJFWSA-N 2 2 384.322 1.423 20 0 GDADLP C[C@@H](C(=O)Nc1cc(Br)cnc1N1CC[NH+](C)CC1)[NH+]1CC(C)C1 ZINC000655136494 653959182 /nfs/dbraw/zinc/95/91/82/653959182.db2.gz FKCLAHLNKNKTOA-ZDUSSCGKSA-N 2 2 396.333 1.875 20 0 GDADLP CN(C(=O)NCc1n[nH]cc1Br)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000681219159 654724697 /nfs/dbraw/zinc/72/46/97/654724697.db2.gz VBEBMVDNACBMSN-ZDUSSCGKSA-N 2 2 399.337 1.482 20 0 GDADLP CN(C(=O)NCc1n[nH]cc1Br)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000681219159 654724702 /nfs/dbraw/zinc/72/47/02/654724702.db2.gz VBEBMVDNACBMSN-ZDUSSCGKSA-N 2 2 399.337 1.482 20 0 GDADLP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)ccc1S(=O)(=O)C(F)F ZINC000817979861 655363212 /nfs/dbraw/zinc/36/32/12/655363212.db2.gz FKXBPVYVMBCSDQ-YPMHNXCESA-N 2 2 378.441 1.721 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)cn2ncnc12 ZINC000824958291 655482763 /nfs/dbraw/zinc/48/27/63/655482763.db2.gz UZGMMYZDMOMKOT-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)cn2ncnc12 ZINC000824958291 655482765 /nfs/dbraw/zinc/48/27/65/655482765.db2.gz UZGMMYZDMOMKOT-UHFFFAOYSA-N 2 2 383.294 1.105 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1cccc(Br)c1 ZINC000867958175 656135610 /nfs/dbraw/zinc/13/56/10/656135610.db2.gz KWSLMAYUASIPGU-INIZCTEOSA-N 2 2 382.302 1.772 20 0 GDADLP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903283 656254453 /nfs/dbraw/zinc/25/44/53/656254453.db2.gz UQWUNQICXGACIN-YOEHRIQHSA-N 2 2 397.361 1.839 20 0 GDADLP CC[NH+]1CCN(C[C@@H](C)CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870903283 656254455 /nfs/dbraw/zinc/25/44/55/656254455.db2.gz UQWUNQICXGACIN-YOEHRIQHSA-N 2 2 397.361 1.839 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1CN(C[C@@H](O)COc2cc(Cl)ccc2Cl)C[C@H]1[NH3+] ZINC000923420661 656551691 /nfs/dbraw/zinc/55/16/91/656551691.db2.gz PDDRRDSPYAWNMY-UMVBOHGHSA-N 2 2 385.295 1.893 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000884211468 657334878 /nfs/dbraw/zinc/33/48/78/657334878.db2.gz FCCRMXRAQOHEPZ-XHSDSOJGSA-N 2 2 382.302 1.507 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884234150 657338524 /nfs/dbraw/zinc/33/85/24/657338524.db2.gz JOQZAAZBNKUEJL-INIZCTEOSA-N 2 2 383.334 1.593 20 0 GDADLP C[NH+](C)C[C@H](NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 ZINC000884438997 657357141 /nfs/dbraw/zinc/35/71/41/657357141.db2.gz PVWRNYIVOKBUBA-KBPBESRZSA-N 2 2 396.340 1.474 20 0 GDADLP Cn1nc(Br)nc1CNc1ccc(N2CC[C@@H]([NH+](C)C)C2)c[nH+]1 ZINC000894358145 658544167 /nfs/dbraw/zinc/54/41/67/658544167.db2.gz CXLVMVGYEITQIX-GFCCVEGCSA-N 2 2 380.294 1.725 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CC(=O)N4Cc3cccnc3)[nH+]2)CC1 ZINC001164690809 719768769 /nfs/dbraw/zinc/76/87/69/719768769.db2.gz IOWXUDYQMHDIKW-MOPGFXCFSA-N 2 2 392.507 1.608 20 0 GDADLP COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809340 720078471 /nfs/dbraw/zinc/07/84/71/720078471.db2.gz JLKQJQQFTHYVGQ-WIYYLYMNSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809340 720078475 /nfs/dbraw/zinc/07/84/75/720078475.db2.gz JLKQJQQFTHYVGQ-WIYYLYMNSA-N 2 2 387.528 1.498 20 0 GDADLP CCc1cc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)nc(C)[nH+]1 ZINC001164716625 720189537 /nfs/dbraw/zinc/18/95/37/720189537.db2.gz QEHRCCPAGUYYBV-SFHVURJKSA-N 2 2 385.516 1.692 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164852830 720874433 /nfs/dbraw/zinc/87/44/33/720874433.db2.gz AAXDYQRBJWYNNE-MSOLQXFVSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@@H]2C1 ZINC001164852830 720874436 /nfs/dbraw/zinc/87/44/36/720874436.db2.gz AAXDYQRBJWYNNE-MSOLQXFVSA-N 2 2 375.517 1.640 20 0 GDADLP CC(=O)Nc1c(C)cc[nH+]c1N1CCn2cc(CN3CC[NH+](C)CC3)nc2C1 ZINC001164799065 721517628 /nfs/dbraw/zinc/51/76/28/721517628.db2.gz WFFZQTDLNNPVEO-UHFFFAOYSA-N 2 2 383.500 1.313 20 0 GDADLP O=C1NCC[N@H+](Cc2ccccc2)C12CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164945036 721971368 /nfs/dbraw/zinc/97/13/68/721971368.db2.gz NLOMQCWWQOVCJT-UHFFFAOYSA-N 2 2 392.507 1.093 20 0 GDADLP O=C1NCC[N@@H+](Cc2ccccc2)C12CCN(c1ncnc3c1CC[NH2+]C3)CC2 ZINC001164945036 721971373 /nfs/dbraw/zinc/97/13/73/721971373.db2.gz NLOMQCWWQOVCJT-UHFFFAOYSA-N 2 2 392.507 1.093 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272065 945654561 /nfs/dbraw/zinc/65/45/61/945654561.db2.gz OBWQFRZJGNPAAN-ZDUSSCGKSA-N 2 2 386.485 1.166 20 0 GDADLP Cc1[nH+]ccn1CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272065 945654568 /nfs/dbraw/zinc/65/45/68/945654568.db2.gz OBWQFRZJGNPAAN-ZDUSSCGKSA-N 2 2 386.485 1.166 20 0 GDADLP C[C@@H]1C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001571281171 945797750 /nfs/dbraw/zinc/79/77/50/945797750.db2.gz DUKSLCMWBVLYND-CXAGYDPISA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2F)C[C@H]1NC(=O)C[NH+]1CCCC1 ZINC001571281171 945797757 /nfs/dbraw/zinc/79/77/57/945797757.db2.gz DUKSLCMWBVLYND-CXAGYDPISA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@@H+]1C ZINC001571281809 945816119 /nfs/dbraw/zinc/81/61/19/945816119.db2.gz OLPBHZMMCZJCBN-DAXOMENPSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[N@H+]1C ZINC001571281809 945816133 /nfs/dbraw/zinc/81/61/33/945816133.db2.gz OLPBHZMMCZJCBN-DAXOMENPSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[NH+]1C ZINC001571281809 945816150 /nfs/dbraw/zinc/81/61/50/945816150.db2.gz OLPBHZMMCZJCBN-DAXOMENPSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)CC[NH+]1C ZINC001571281809 945816161 /nfs/dbraw/zinc/81/61/61/945816161.db2.gz OLPBHZMMCZJCBN-DAXOMENPSA-N 2 2 387.463 1.037 20 0 GDADLP NC(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826390163 948198339 /nfs/dbraw/zinc/19/83/39/948198339.db2.gz RJCJTWUUZCOPBX-FUHWJXTLSA-N 2 2 383.500 1.465 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924058 948963420 /nfs/dbraw/zinc/96/34/20/948963420.db2.gz UXGMXHKLHFUCBI-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924058 948963434 /nfs/dbraw/zinc/96/34/34/948963434.db2.gz UXGMXHKLHFUCBI-ZDUSSCGKSA-N 2 2 386.435 1.229 20 0 GDADLP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573772811 948967732 /nfs/dbraw/zinc/96/77/32/948967732.db2.gz FNASNUPXIPJCEO-CYBMUJFWSA-N 2 2 389.529 1.493 20 0 GDADLP CC(C)(C(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573772811 948967747 /nfs/dbraw/zinc/96/77/47/948967747.db2.gz FNASNUPXIPJCEO-CYBMUJFWSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698071 949174653 /nfs/dbraw/zinc/17/46/53/949174653.db2.gz FSOJDYALAHYXDE-UONOGXRCSA-N 2 2 382.472 1.405 20 0 GDADLP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872017 949529834 /nfs/dbraw/zinc/52/98/34/949529834.db2.gz FDQNDXMZMUBJKU-ZFWWWQNUSA-N 2 2 384.488 1.220 20 0 GDADLP CC(C)C[C@H](C(=O)N[C@H](C)CNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574125505 949592749 /nfs/dbraw/zinc/59/27/49/949592749.db2.gz RBEDERLCMKDBRZ-CZUORRHYSA-N 2 2 383.460 1.084 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881734 949728729 /nfs/dbraw/zinc/72/87/29/949728729.db2.gz AENUDJWOGUHWOE-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccccc1-c1nn[nH]n1 ZINC001575881734 949728735 /nfs/dbraw/zinc/72/87/35/949728735.db2.gz AENUDJWOGUHWOE-RHSMWYFYSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001575282376 949834682 /nfs/dbraw/zinc/83/46/82/949834682.db2.gz BDJKCHRHNAOWNK-CYBMUJFWSA-N 2 2 387.463 1.038 20 0 GDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001576202581 950432242 /nfs/dbraw/zinc/43/22/42/950432242.db2.gz BLXSZJZOXQOQQG-CQSZACIVSA-N 2 2 389.529 1.351 20 0 GDADLP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC001576202581 950432259 /nfs/dbraw/zinc/43/22/59/950432259.db2.gz BLXSZJZOXQOQQG-CQSZACIVSA-N 2 2 389.529 1.351 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202894 950440837 /nfs/dbraw/zinc/44/08/37/950440837.db2.gz FBZFBVWTWBNPFS-LSDHHAIUSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CCCN(c3cc[nH+]cc3-c3nn[nH]n3)CC2)C1 ZINC001576202894 950440848 /nfs/dbraw/zinc/44/08/48/950440848.db2.gz FBZFBVWTWBNPFS-LSDHHAIUSA-N 2 2 384.488 1.079 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205567 950524649 /nfs/dbraw/zinc/52/46/49/950524649.db2.gz KANGEBJFXRLJTN-KRWDZBQOSA-N 2 2 383.500 1.289 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccccc2-c2nn[nH]n2)CC1 ZINC001576205567 950524665 /nfs/dbraw/zinc/52/46/65/950524665.db2.gz KANGEBJFXRLJTN-KRWDZBQOSA-N 2 2 383.500 1.289 20 0 GDADLP C[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206633 950579466 /nfs/dbraw/zinc/57/94/66/950579466.db2.gz YLONIRSNWWTGCU-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)[NH+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206633 950579480 /nfs/dbraw/zinc/57/94/80/950579480.db2.gz YLONIRSNWWTGCU-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206633 950579498 /nfs/dbraw/zinc/57/94/98/950579498.db2.gz YLONIRSNWWTGCU-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)cc1F ZINC001576206633 950579517 /nfs/dbraw/zinc/57/95/17/950579517.db2.gz YLONIRSNWWTGCU-ZIAGYGMSSA-N 2 2 389.479 1.284 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574512708 950587018 /nfs/dbraw/zinc/58/70/18/950587018.db2.gz AANJMKFIIFOVGO-OLZOCXBDSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)NC(=O)Cn1cc[nH+]c1 ZINC001574524655 950867537 /nfs/dbraw/zinc/86/75/37/950867537.db2.gz YEEKQKKDIHDXIF-STQMWFEESA-N 2 2 386.435 1.275 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)c1cc2c[nH+]ccc2[nH]1 ZINC001575093835 951802527 /nfs/dbraw/zinc/80/25/27/951802527.db2.gz LDKUCNDINPYXAO-CYBMUJFWSA-N 2 2 390.451 1.993 20 0 GDADLP CC1([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CCN(C(=O)Cc2[nH]cc[nH+]2)CC1 ZINC001571166910 952766958 /nfs/dbraw/zinc/76/69/58/952766958.db2.gz RKRVNJZOURLWDZ-UHFFFAOYSA-N 2 2 380.456 1.303 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234676 953204303 /nfs/dbraw/zinc/20/43/03/953204303.db2.gz FSVQKJUQNIFUHW-JLSDUUJJSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234676 953204307 /nfs/dbraw/zinc/20/43/07/953204307.db2.gz FSVQKJUQNIFUHW-JLSDUUJJSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234676 953204309 /nfs/dbraw/zinc/20/43/09/953204309.db2.gz FSVQKJUQNIFUHW-JLSDUUJJSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234676 953204313 /nfs/dbraw/zinc/20/43/13/953204313.db2.gz FSVQKJUQNIFUHW-JLSDUUJJSA-N 2 2 383.500 1.430 20 0 GDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252936 953333609 /nfs/dbraw/zinc/33/36/09/953333609.db2.gz ZKRXAZCRCBPYKD-PBHICJAKSA-N 2 2 384.488 1.173 20 0 GDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252936 953333610 /nfs/dbraw/zinc/33/36/10/953333610.db2.gz ZKRXAZCRCBPYKD-PBHICJAKSA-N 2 2 384.488 1.173 20 0 GDADLP O=S(=O)(N1CCC(C[NH2+]Cc2cccc3[nH+]ccn32)CC1)C(F)(F)F ZINC000179425253 530740681 /nfs/dbraw/zinc/74/06/81/530740681.db2.gz MDRCZOQYJLFNNU-UHFFFAOYSA-N 2 2 376.404 1.986 20 0 GDADLP O=C(NC1CC[NH+](Cc2ccc(Br)cc2)CC1)[C@@H]1COCC[NH2+]1 ZINC000236686419 531038937 /nfs/dbraw/zinc/03/89/37/531038937.db2.gz RYHJFYKDNWMDEC-INIZCTEOSA-N 2 2 382.302 1.518 20 0 GDADLP [NH3+]C1CC[NH+](CCCC(=O)NCCS(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000433119939 531216416 /nfs/dbraw/zinc/21/64/16/531216416.db2.gz WYLFAHDMEOSLEY-UHFFFAOYSA-N 2 2 387.933 1.433 20 0 GDADLP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000437099085 531291403 /nfs/dbraw/zinc/29/14/03/531291403.db2.gz RBYAYIJCQJQORD-GXTWGEPZSA-N 2 2 386.484 1.167 20 0 GDADLP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000437099085 531291408 /nfs/dbraw/zinc/29/14/08/531291408.db2.gz RBYAYIJCQJQORD-GXTWGEPZSA-N 2 2 386.484 1.167 20 0 GDADLP [NH3+]C[C@@H]1C[N@H+](CCCOc2cccc(I)c2)CCO1 ZINC000478265368 531341117 /nfs/dbraw/zinc/34/11/17/531341117.db2.gz NHECJXZTIORAKE-CQSZACIVSA-N 2 2 376.238 1.720 20 0 GDADLP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc(I)c2)CCO1 ZINC000478265368 531341122 /nfs/dbraw/zinc/34/11/22/531341122.db2.gz NHECJXZTIORAKE-CQSZACIVSA-N 2 2 376.238 1.720 20 0 GDADLP Cn1ncc(Br)c1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000278362881 531354914 /nfs/dbraw/zinc/35/49/14/531354914.db2.gz JDMFWEPTPPQVSB-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP Cc1cc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000449083138 531465643 /nfs/dbraw/zinc/46/56/43/531465643.db2.gz SCHHCOFWBRZSJL-UHFFFAOYSA-N 2 2 380.539 1.693 20 0 GDADLP C[NH+](C)Cc1cc(NC(=O)C(=O)NCC[NH+]2CCSCC2)ccc1Cl ZINC000281609564 531637884 /nfs/dbraw/zinc/63/78/84/531637884.db2.gz CBZZGAOSKJXGCF-UHFFFAOYSA-N 2 2 384.933 1.505 20 0 GDADLP Cc1nc(N2CCN(C(=O)[C@H]([NH3+])c3ccccc3Br)CC2)cc[nH+]1 ZINC000662533851 531685818 /nfs/dbraw/zinc/68/58/18/531685818.db2.gz FJAFZKYCRVYIOH-MRXNPFEDSA-N 2 2 390.285 1.896 20 0 GDADLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178564 531686069 /nfs/dbraw/zinc/68/60/69/531686069.db2.gz MKQAGEOFLJAJQM-FZMZJTMJSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178564 531686079 /nfs/dbraw/zinc/68/60/79/531686079.db2.gz MKQAGEOFLJAJQM-FZMZJTMJSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178564 531686084 /nfs/dbraw/zinc/68/60/84/531686084.db2.gz MKQAGEOFLJAJQM-FZMZJTMJSA-N 2 2 390.347 1.869 20 0 GDADLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(S(N)(=O)=O)c(Br)c1 ZINC000639178564 531686091 /nfs/dbraw/zinc/68/60/91/531686091.db2.gz MKQAGEOFLJAJQM-FZMZJTMJSA-N 2 2 390.347 1.869 20 0 GDADLP O=C(COc1ccc(Br)cc1)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647885004 531901814 /nfs/dbraw/zinc/90/18/14/531901814.db2.gz WOIHFFTYWQAVSR-AWEZNQCLSA-N 2 2 382.302 1.582 20 0 GDADLP COC(=O)c1sccc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000298822546 531925426 /nfs/dbraw/zinc/92/54/26/531925426.db2.gz PODAQTVLCDPBLJ-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP COC(=O)c1sccc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000298822546 531925432 /nfs/dbraw/zinc/92/54/32/531925432.db2.gz PODAQTVLCDPBLJ-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000420015492 531995517 /nfs/dbraw/zinc/99/55/17/531995517.db2.gz QTKNADUDZWEVAH-GFCCVEGCSA-N 2 2 387.311 1.144 20 0 GDADLP C[NH2+]CCOCC[N@H+](C)CC(=O)Nc1ccccc1I ZINC000600729171 532052782 /nfs/dbraw/zinc/05/27/82/532052782.db2.gz FDRCPZAWTSKHGO-UHFFFAOYSA-N 2 2 391.253 1.398 20 0 GDADLP C[NH2+]CCOCC[N@@H+](C)CC(=O)Nc1ccccc1I ZINC000600729171 532052787 /nfs/dbraw/zinc/05/27/87/532052787.db2.gz FDRCPZAWTSKHGO-UHFFFAOYSA-N 2 2 391.253 1.398 20 0 GDADLP C[NH+]1CCN(CCCC[NH2+]Cc2ncc(I)s2)CC1 ZINC000579988981 532070012 /nfs/dbraw/zinc/07/00/12/532070012.db2.gz UYOZABUUMBMKPJ-UHFFFAOYSA-N 2 2 394.326 1.865 20 0 GDADLP Cc1cc(F)c(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000425162642 532120810 /nfs/dbraw/zinc/12/08/10/532120810.db2.gz ZZNXZMJPZQBNFC-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP Cc1cc(F)c(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1 ZINC000425162642 532120813 /nfs/dbraw/zinc/12/08/13/532120813.db2.gz ZZNXZMJPZQBNFC-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333383236 532231934 /nfs/dbraw/zinc/23/19/34/532231934.db2.gz WLHAFEPFKZLUCR-AAEUAGOBSA-N 2 2 398.305 1.943 20 0 GDADLP CCO[C@@H]1C[N@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405367598 532307031 /nfs/dbraw/zinc/30/70/31/532307031.db2.gz HJIDTVPYZBUDTM-XNRPHZJLSA-N 2 2 384.318 1.922 20 0 GDADLP CCO[C@@H]1C[N@@H+](CC(=O)N[C@H](C)c2ccc(Br)cc2)C[C@H]1C[NH3+] ZINC000405367598 532307033 /nfs/dbraw/zinc/30/70/33/532307033.db2.gz HJIDTVPYZBUDTM-XNRPHZJLSA-N 2 2 384.318 1.922 20 0 GDADLP CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736851502 598742836 /nfs/dbraw/zinc/74/28/36/598742836.db2.gz JMPNFRRWQVPUQM-LJQANCHMSA-N 2 2 397.527 1.426 20 0 GDADLP CN(C(=O)CCc1ccc(-c2nn[nH]n2)cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736851502 598742837 /nfs/dbraw/zinc/74/28/37/598742837.db2.gz JMPNFRRWQVPUQM-LJQANCHMSA-N 2 2 397.527 1.426 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)CCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853658 598769371 /nfs/dbraw/zinc/76/93/71/598769371.db2.gz ZDKLRTBBGZHUOG-QGZVFWFLSA-N 2 2 383.500 1.084 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)CCc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853658 598769373 /nfs/dbraw/zinc/76/93/73/598769373.db2.gz ZDKLRTBBGZHUOG-QGZVFWFLSA-N 2 2 383.500 1.084 20 0 GDADLP COc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1-c1nn[nH]n1 ZINC000826195259 607491851 /nfs/dbraw/zinc/49/18/51/607491851.db2.gz NDGKOKISLYFVIP-IAGOWNOFSA-N 2 2 399.543 1.866 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC000821621814 606684376 /nfs/dbraw/zinc/68/43/76/606684376.db2.gz HLIJSUADNHSIII-GFCCVEGCSA-N 2 2 391.426 1.043 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3c(F)cc(-c4nn[nH]n4)cc3F)C2)CC1 ZINC000821621814 606684377 /nfs/dbraw/zinc/68/43/77/606684377.db2.gz HLIJSUADNHSIII-GFCCVEGCSA-N 2 2 391.426 1.043 20 0 GDADLP C[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)c1cccc(-c2nn[nH]n2)c1 ZINC000820437716 606796112 /nfs/dbraw/zinc/79/61/12/606796112.db2.gz BMEMPSGDDIPWFT-AWEZNQCLSA-N 2 2 379.472 1.259 20 0 GDADLP O=C(CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1)C1CC1 ZINC000826407115 608450861 /nfs/dbraw/zinc/45/08/61/608450861.db2.gz BJSWNWLKNQGSFB-UHFFFAOYSA-N 2 2 377.452 1.906 20 0 GDADLP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361475 609338822 /nfs/dbraw/zinc/33/88/22/609338822.db2.gz YEGSBIYTZSXSKM-QZTJIDSGSA-N 2 2 394.483 1.220 20 0 GDADLP Cn1cc(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c(-c2ccc(-c3nn[nH]n3)cc2)n1 ZINC000826361475 609338824 /nfs/dbraw/zinc/33/88/24/609338824.db2.gz YEGSBIYTZSXSKM-QZTJIDSGSA-N 2 2 394.483 1.220 20 0 GDADLP [NH3+][C@@H]1C[C@@H]2CN(c3cc[nH+]c4cc(F)c(Br)cc43)CCN2C1=O ZINC000565233398 650788306 /nfs/dbraw/zinc/78/83/06/650788306.db2.gz TXCKVWJZWRHKIZ-NOZJJQNGSA-N 2 2 379.233 1.885 20 0 GDADLP O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1cccs1 ZINC000423003256 646108064 /nfs/dbraw/zinc/10/80/64/646108064.db2.gz LHFJLHCIFBTMGI-BRWVUGGUSA-N 2 2 380.535 1.966 20 0 GDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1 ZINC000424336797 646173811 /nfs/dbraw/zinc/17/38/11/646173811.db2.gz RAQKSNCCLXUNIL-FVQBIDKESA-N 2 2 385.555 1.123 20 0 GDADLP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3nc(Br)c[nH]3)cn2)CC1 ZINC000921539055 660307694 /nfs/dbraw/zinc/30/76/94/660307694.db2.gz FJKQEPCQLHZGNH-UHFFFAOYSA-N 2 2 379.306 1.999 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000470016928 647719829 /nfs/dbraw/zinc/71/98/29/647719829.db2.gz HGZBZESSSZBYHT-UHFFFAOYSA-N 2 2 398.301 1.474 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1cc(Br)c2c(c1)OCCCO2 ZINC000470016928 647719833 /nfs/dbraw/zinc/71/98/33/647719833.db2.gz HGZBZESSSZBYHT-UHFFFAOYSA-N 2 2 398.301 1.474 20 0 GDADLP CN(CC[NH2+]Cc1ncc(C[NH+](C)C)s1)S(=O)(=O)c1ccc(F)cc1 ZINC000512365148 648402347 /nfs/dbraw/zinc/40/23/47/648402347.db2.gz STOGNBASHXCGRH-UHFFFAOYSA-N 2 2 386.518 1.754 20 0 GDADLP [NH3+]C[C@@H]1CN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)CCO1 ZINC000572241836 651092881 /nfs/dbraw/zinc/09/28/81/651092881.db2.gz JVCYVROWIXMKQV-HZPDHXFCSA-N 2 2 382.302 1.772 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000577228497 651717473 /nfs/dbraw/zinc/71/74/73/651717473.db2.gz VJBHQGOMMRZYPU-ZYHUDNBSSA-N 2 2 399.314 1.959 20 0 GDADLP [NH3+]C[C@H]1C[N@H+](CC(=O)Nc2ccc(Br)cn2)CC12CCOCC2 ZINC000582423783 651995452 /nfs/dbraw/zinc/99/54/52/651995452.db2.gz LEHDSGIFEOZTPE-LBPRGKRZSA-N 2 2 383.290 1.470 20 0 GDADLP [NH3+]C[C@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cn2)CC12CCOCC2 ZINC000582423783 651995454 /nfs/dbraw/zinc/99/54/54/651995454.db2.gz LEHDSGIFEOZTPE-LBPRGKRZSA-N 2 2 383.290 1.470 20 0 GDADLP CN(C(=O)CCn1cc(Br)cn1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479242 652586706 /nfs/dbraw/zinc/58/67/06/652586706.db2.gz SWHFJSCAXHBMCO-INIZCTEOSA-N 2 2 398.349 1.663 20 0 GDADLP CN(C(=O)CCn1cc(Br)cn1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479242 652586709 /nfs/dbraw/zinc/58/67/09/652586709.db2.gz SWHFJSCAXHBMCO-INIZCTEOSA-N 2 2 398.349 1.663 20 0 GDADLP CN(C(=O)c1cc(Br)c[nH]c1=O)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000621915317 653000222 /nfs/dbraw/zinc/00/02/22/653000222.db2.gz YXCQWEYCZLLMEI-CQSZACIVSA-N 2 2 397.317 1.790 20 0 GDADLP CN(C(=O)c1cc(Br)c[nH]c1=O)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000621915317 653000224 /nfs/dbraw/zinc/00/02/24/653000224.db2.gz YXCQWEYCZLLMEI-CQSZACIVSA-N 2 2 397.317 1.790 20 0 GDADLP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000629519605 653168264 /nfs/dbraw/zinc/16/82/64/653168264.db2.gz GTVJRNZFNIMAIJ-AWEZNQCLSA-N 2 2 375.922 1.797 20 0 GDADLP COc1nsc(C[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1Br ZINC000638548225 653539372 /nfs/dbraw/zinc/53/93/72/653539372.db2.gz DIODSNIUUXATNI-UHFFFAOYSA-N 2 2 377.308 1.168 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)cc1Br ZINC000646496790 653610421 /nfs/dbraw/zinc/61/04/21/653610421.db2.gz DSEKNRQSBYSTKH-ZDUSSCGKSA-N 2 2 392.319 1.211 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000662475272 654295408 /nfs/dbraw/zinc/29/54/08/654295408.db2.gz CGHHIXKCQITOSG-XJKSGUPXSA-N 2 2 382.302 1.630 20 0 GDADLP C[NH+]1CCCN(c2ncnc(N3CCC[N@@H+](C)CC3)c2Br)CC1 ZINC000663315154 654333344 /nfs/dbraw/zinc/33/33/44/654333344.db2.gz IDJHNCDPPCWLQM-UHFFFAOYSA-N 2 2 383.338 1.523 20 0 GDADLP C[NH+]1CCCN(c2ncnc(N3CCC[N@H+](C)CC3)c2Br)CC1 ZINC000663315154 654333347 /nfs/dbraw/zinc/33/33/47/654333347.db2.gz IDJHNCDPPCWLQM-UHFFFAOYSA-N 2 2 383.338 1.523 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[NH2+]C3CC3)[nH+]c12 ZINC000669558945 654505738 /nfs/dbraw/zinc/50/57/38/654505738.db2.gz KGMVBYUGQVEFSV-UHFFFAOYSA-N 2 2 380.290 1.999 20 0 GDADLP C[C@@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)cn1 ZINC000684553393 654799042 /nfs/dbraw/zinc/79/90/42/654799042.db2.gz PHAMXNBMLRKXDY-ZBFHGGJFSA-N 2 2 383.334 1.901 20 0 GDADLP C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000810218599 655153860 /nfs/dbraw/zinc/15/38/60/655153860.db2.gz JSQRNXZOANQIQP-GOEBONIOSA-N 2 2 383.334 1.901 20 0 GDADLP Cn1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658907 655952686 /nfs/dbraw/zinc/95/26/86/655952686.db2.gz ADCRWIQAYZQQKA-TZMCWYRMSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658907 655952687 /nfs/dbraw/zinc/95/26/87/655952687.db2.gz ADCRWIQAYZQQKA-TZMCWYRMSA-N 2 2 384.322 1.263 20 0 GDADLP CN([C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010199 655986927 /nfs/dbraw/zinc/98/69/27/655986927.db2.gz MKSGCZQHFVJHEK-JKSUJKDBSA-N 2 2 394.607 1.228 20 0 GDADLP CN([C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)N=S(C)(C)=O ZINC000867010199 655986928 /nfs/dbraw/zinc/98/69/28/655986928.db2.gz MKSGCZQHFVJHEK-JKSUJKDBSA-N 2 2 394.607 1.228 20 0 GDADLP OCC[NH2+]C1CC[NH+](C[C@@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923411666 656550830 /nfs/dbraw/zinc/55/08/30/656550830.db2.gz DYSCAXAORUDVJB-OAHLLOKOSA-N 2 2 391.281 1.374 20 0 GDADLP O=C1C[N@@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCN1Cc1ccc(Br)cc1 ZINC000923411521 656550896 /nfs/dbraw/zinc/55/08/96/656550896.db2.gz MTJRKURXDYIUIX-MRXNPFEDSA-N 2 2 394.313 1.472 20 0 GDADLP O=C1C[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CCN1Cc1ccc(Br)cc1 ZINC000923411521 656550899 /nfs/dbraw/zinc/55/08/99/656550899.db2.gz MTJRKURXDYIUIX-MRXNPFEDSA-N 2 2 394.313 1.472 20 0 GDADLP [NH3+]C1CC[NH+](CCNC(=O)Nc2ccccc2I)CC1 ZINC000925897279 656725200 /nfs/dbraw/zinc/72/52/00/656725200.db2.gz ZRUJJRBIPAZHIZ-UHFFFAOYSA-N 2 2 388.253 1.836 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227839 657337462 /nfs/dbraw/zinc/33/74/62/657337462.db2.gz ZEURQKOBHSMRCM-CJNGLKHVSA-N 2 2 382.302 1.630 20 0 GDADLP CCS(=O)(=O)NCC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894207206 658521599 /nfs/dbraw/zinc/52/15/99/658521599.db2.gz STAJHKQYYUCLMO-UHFFFAOYSA-N 2 2 379.429 1.099 20 0 GDADLP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)c2c1OC(F)(F)O2 ZINC000894287884 658533310 /nfs/dbraw/zinc/53/33/10/658533310.db2.gz LPAZSRQBHVQLIA-CYBMUJFWSA-N 2 2 376.425 1.737 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(NC(=O)C[C@@H](O)C(Cl)(Cl)Cl)CC2)CC1 ZINC000906465386 659544995 /nfs/dbraw/zinc/54/49/95/659544995.db2.gz JGIQTJMCDMMTNL-CYBMUJFWSA-N 2 2 386.751 1.782 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849425 720830620 /nfs/dbraw/zinc/83/06/20/720830620.db2.gz PTAFHNOPZWGALV-ZWKOTPCHSA-N 2 2 375.517 1.559 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3nc(N4CCCC4)c(C)c[nH+]3)CC[C@H]2C1 ZINC001164849425 720830622 /nfs/dbraw/zinc/83/06/22/720830622.db2.gz PTAFHNOPZWGALV-ZWKOTPCHSA-N 2 2 375.517 1.559 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849405 720831115 /nfs/dbraw/zinc/83/11/15/720831115.db2.gz POEDAJIJJGRYAT-MSOLQXFVSA-N 2 2 375.517 1.780 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3nc(NCC4CC4)c(C)c[nH+]3)CC[C@@H]2C1 ZINC001164849405 720831116 /nfs/dbraw/zinc/83/11/16/720831116.db2.gz POEDAJIJJGRYAT-MSOLQXFVSA-N 2 2 375.517 1.780 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164852834 720874420 /nfs/dbraw/zinc/87/44/20/720874420.db2.gz AAXDYQRBJWYNNE-ROUUACIJSA-N 2 2 375.517 1.640 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCCCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164852834 720874422 /nfs/dbraw/zinc/87/44/22/720874422.db2.gz AAXDYQRBJWYNNE-ROUUACIJSA-N 2 2 375.517 1.640 20 0 GDADLP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@@H+]3C2)c1 ZINC001164865925 721110406 /nfs/dbraw/zinc/11/04/06/721110406.db2.gz PWMHIKREACAZNF-RTBURBONSA-N 2 2 396.495 1.188 20 0 GDADLP c1cncc(CO[C@@H]2C[C@@H]3CN(c4cc[nH+]c(N5CCOCC5)n4)CC[N@H+]3C2)c1 ZINC001164865925 721110410 /nfs/dbraw/zinc/11/04/10/721110410.db2.gz PWMHIKREACAZNF-RTBURBONSA-N 2 2 396.495 1.188 20 0 GDADLP C[C@@H]1CN(C(=O)Cc2c[nH+]c[nH]2)C[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271370 945642629 /nfs/dbraw/zinc/64/26/29/945642629.db2.gz BATXJACGBRUVIY-NEPJUHHUSA-N 2 2 386.485 1.078 20 0 GDADLP O=C(C[NH+]1CCCC1)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571281791 945811534 /nfs/dbraw/zinc/81/15/34/945811534.db2.gz NTLXAWZGJGQIRL-UHFFFAOYSA-N 2 2 387.463 1.136 20 0 GDADLP O=C(C[NH+]1CCCC1)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)c(F)c2)CC1 ZINC001571281791 945811546 /nfs/dbraw/zinc/81/15/46/945811546.db2.gz NTLXAWZGJGQIRL-UHFFFAOYSA-N 2 2 387.463 1.136 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000822335883 946057911 /nfs/dbraw/zinc/05/79/11/946057911.db2.gz NBSPVRAVTUWUMH-MRXNPFEDSA-N 2 2 392.511 1.940 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000822335883 946057924 /nfs/dbraw/zinc/05/79/24/946057924.db2.gz NBSPVRAVTUWUMH-MRXNPFEDSA-N 2 2 392.511 1.940 20 0 GDADLP O=C(CCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NC1CC1 ZINC000826406410 948235651 /nfs/dbraw/zinc/23/56/51/948235651.db2.gz VXCDFDATQSKKAA-UHFFFAOYSA-N 2 2 383.500 1.480 20 0 GDADLP O=C(NCC[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)c1ccco1 ZINC000826437655 948293111 /nfs/dbraw/zinc/29/31/11/948293111.db2.gz VZCMBHOMFJKMQI-UHFFFAOYSA-N 2 2 395.467 1.444 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921453 948923838 /nfs/dbraw/zinc/92/38/38/948923838.db2.gz XYNXLNREZFTHCM-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921453 948923848 /nfs/dbraw/zinc/92/38/48/948923848.db2.gz XYNXLNREZFTHCM-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266036 949467144 /nfs/dbraw/zinc/46/71/44/949467144.db2.gz WVHROEYPZCCLBQ-SJKOYZFVSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575266036 949467159 /nfs/dbraw/zinc/46/71/59/949467159.db2.gz WVHROEYPZCCLBQ-SJKOYZFVSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001575872015 949531020 /nfs/dbraw/zinc/53/10/20/949531020.db2.gz FDQNDXMZMUBJKU-HIFRSBDPSA-N 2 2 384.488 1.220 20 0 GDADLP C[C@H](CN(C)C(=O)CCn1cc[nH+]c1)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574726352 949936087 /nfs/dbraw/zinc/93/60/87/949936087.db2.gz ZTKFPLMUKUTXMZ-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193367 950295913 /nfs/dbraw/zinc/29/59/13/950295913.db2.gz UBWUZPOQRNJAKB-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193367 950295933 /nfs/dbraw/zinc/29/59/33/950295933.db2.gz UBWUZPOQRNJAKB-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193367 950295962 /nfs/dbraw/zinc/29/59/62/950295962.db2.gz UBWUZPOQRNJAKB-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)C2)C1 ZINC001576193367 950295972 /nfs/dbraw/zinc/29/59/72/950295972.db2.gz UBWUZPOQRNJAKB-UONOGXRCSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H](CC(=O)NCC1C[NH+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574503394 950408406 /nfs/dbraw/zinc/40/84/06/950408406.db2.gz VHPJVJOODBULRX-CQSZACIVSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205827 950545966 /nfs/dbraw/zinc/54/59/66/950545966.db2.gz PZPJLNVMGRBAEJ-CQSZACIVSA-N 2 2 391.545 1.597 20 0 GDADLP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1 ZINC001576205827 950545978 /nfs/dbraw/zinc/54/59/78/950545978.db2.gz PZPJLNVMGRBAEJ-CQSZACIVSA-N 2 2 391.545 1.597 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206308 950570947 /nfs/dbraw/zinc/57/09/47/950570947.db2.gz WFRJZNUTMQNPHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206308 950570962 /nfs/dbraw/zinc/57/09/62/950570962.db2.gz WFRJZNUTMQNPHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206308 950570981 /nfs/dbraw/zinc/57/09/81/950570981.db2.gz WFRJZNUTMQNPHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001576206308 950570998 /nfs/dbraw/zinc/57/09/98/950570998.db2.gz WFRJZNUTMQNPHV-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574522810 950798914 /nfs/dbraw/zinc/79/89/14/950798914.db2.gz LCJMWUDKGMPZNA-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574522809 950799205 /nfs/dbraw/zinc/79/92/05/950799205.db2.gz LCJMWUDKGMPZNA-RYUDHWBXSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001575092170 951790924 /nfs/dbraw/zinc/79/09/24/951790924.db2.gz APYZACZARDUUNE-CYBMUJFWSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001575098103 951819948 /nfs/dbraw/zinc/81/99/48/951819948.db2.gz ARIYCMRKTCZFNR-OLZOCXBDSA-N 2 2 388.501 1.618 20 0 GDADLP C[C@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001575106994 951910285 /nfs/dbraw/zinc/91/02/85/951910285.db2.gz XAIMAYNIMRTVHK-LJQANCHMSA-N 2 2 380.456 1.207 20 0 GDADLP C[C@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1[nH]cc[nH+]1)C1CC1 ZINC001575115539 951965763 /nfs/dbraw/zinc/96/57/63/951965763.db2.gz YCMGGIWLENCFBS-LJQANCHMSA-N 2 2 380.456 1.207 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000051762518 530681351 /nfs/dbraw/zinc/68/13/51/530681351.db2.gz MPTGAAOVZYCUNZ-CQSZACIVSA-N 2 2 390.311 1.439 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000066482545 530762785 /nfs/dbraw/zinc/76/27/85/530762785.db2.gz NXTVNHFBDIFUMO-OWCLPIDISA-N 2 2 387.977 1.989 20 0 GDADLP C[C@@H]1C[N@H+](C[C@H](O)CN2CC[NH+](Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000066482545 530762788 /nfs/dbraw/zinc/76/27/88/530762788.db2.gz NXTVNHFBDIFUMO-OWCLPIDISA-N 2 2 387.977 1.989 20 0 GDADLP O=C(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)Nc1ccc(Br)cn1 ZINC000069029260 530793777 /nfs/dbraw/zinc/79/37/77/530793777.db2.gz AVSMQYFJIIOGRL-UHFFFAOYSA-N 2 2 397.317 1.827 20 0 GDADLP C[C@H](C[S@@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126179215 531015618 /nfs/dbraw/zinc/01/56/18/531015618.db2.gz VFCZMDIAJMTBGC-BZQUYTCOSA-N 2 2 383.583 1.873 20 0 GDADLP C[C@H](C[S@@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126179215 531015622 /nfs/dbraw/zinc/01/56/22/531015622.db2.gz VFCZMDIAJMTBGC-BZQUYTCOSA-N 2 2 383.583 1.873 20 0 GDADLP CSCC[C@@H]([NH3+])C(=O)N1CCN(Cc2cn3cc(Cl)ccc3[nH+]2)CC1 ZINC000157249162 531206398 /nfs/dbraw/zinc/20/63/98/531206398.db2.gz VTPYRGYMLBIBJA-OAHLLOKOSA-N 2 2 381.933 1.712 20 0 GDADLP O=S1(=O)CCN(C2CC[NH+](Cc3cc(-n4cc[nH+]c4)cs3)CC2)CC1 ZINC000475137321 531291544 /nfs/dbraw/zinc/29/15/44/531291544.db2.gz RBJIVSTYRGMFDO-UHFFFAOYSA-N 2 2 380.539 1.629 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057438 531430448 /nfs/dbraw/zinc/43/04/48/531430448.db2.gz FUNPQNQYPKGUBD-GDBMZVCRSA-N 2 2 386.334 1.946 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414057438 531430451 /nfs/dbraw/zinc/43/04/51/531430451.db2.gz FUNPQNQYPKGUBD-GDBMZVCRSA-N 2 2 386.334 1.946 20 0 GDADLP CCOc1cc(C[NH2+][C@H](C)C[NH3+])cc(Br)c1OCC(=O)N(C)C ZINC000414927058 531463827 /nfs/dbraw/zinc/46/38/27/531463827.db2.gz KUSFMVWFINUGHJ-LLVKDONJSA-N 2 2 388.306 1.752 20 0 GDADLP CC[C@@H](CNS(C)(=O)=O)[NH2+]Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000295111472 531524143 /nfs/dbraw/zinc/52/41/43/531524143.db2.gz VDOBTWOQQJWIGH-LBPRGKRZSA-N 2 2 389.319 1.823 20 0 GDADLP CCC[NH2+]CCNC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000415804838 531534731 /nfs/dbraw/zinc/53/47/31/531534731.db2.gz LGPABZIYHKDGCT-UHFFFAOYSA-N 2 2 386.294 1.802 20 0 GDADLP CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000365317174 531637159 /nfs/dbraw/zinc/63/71/59/531637159.db2.gz SGLMKRCCPWPJPF-ZDUSSCGKSA-N 2 2 398.349 1.975 20 0 GDADLP CCc1n[nH]c(C(=O)N(C)[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000365317174 531637171 /nfs/dbraw/zinc/63/71/71/531637171.db2.gz SGLMKRCCPWPJPF-ZDUSSCGKSA-N 2 2 398.349 1.975 20 0 GDADLP CC(C)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1Br)[NH+]1CCOCC1 ZINC000662368118 531673491 /nfs/dbraw/zinc/67/34/91/531673491.db2.gz KMELYRORGQRVHW-JKSUJKDBSA-N 2 2 384.318 1.922 20 0 GDADLP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C[C@H]12 ZINC000417208257 531758627 /nfs/dbraw/zinc/75/86/27/531758627.db2.gz BMWGKXQIOBJZMX-DDTOSNHZSA-N 2 2 378.274 1.976 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417229668 531762953 /nfs/dbraw/zinc/76/29/53/531762953.db2.gz XZMPZCAEGQYQIB-NWDGAFQWSA-N 2 2 378.274 1.848 20 0 GDADLP C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000562809010 531781714 /nfs/dbraw/zinc/78/17/14/531781714.db2.gz OLDSSAMVPJYMFT-FZMZJTMJSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000562809010 531781721 /nfs/dbraw/zinc/78/17/21/531781721.db2.gz OLDSSAMVPJYMFT-FZMZJTMJSA-N 2 2 387.297 1.804 20 0 GDADLP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)N2CC[NH+](Cc3ccsc3)CC2)[C@@H]1SC ZINC000592174434 531769987 /nfs/dbraw/zinc/76/99/87/531769987.db2.gz TUKAEJQFZMVGEP-NUJGCVRESA-N 2 2 383.583 1.891 20 0 GDADLP C[NH+]1CCN(C(=O)C2CC[NH+](Cc3c(F)cncc3Br)CC2)CC1 ZINC000668156869 531793298 /nfs/dbraw/zinc/79/32/98/531793298.db2.gz BENQNVHZKWZCMO-UHFFFAOYSA-N 2 2 399.308 1.969 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000515810975 531813285 /nfs/dbraw/zinc/81/32/85/531813285.db2.gz NVKBCDZRAVTKSA-CQSZACIVSA-N 2 2 388.299 1.606 20 0 GDADLP C[N@H+]1CCN(C(=O)NCCC(=O)Nc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000515810975 531813292 /nfs/dbraw/zinc/81/32/92/531813292.db2.gz NVKBCDZRAVTKSA-CQSZACIVSA-N 2 2 388.299 1.606 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2cccc(Br)c2)CC1 ZINC000297894231 531831869 /nfs/dbraw/zinc/83/18/69/531831869.db2.gz OGWQIKTYLVHLFY-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000595948911 531894871 /nfs/dbraw/zinc/89/48/71/531894871.db2.gz CKVDVBBGNFOYFB-VIFPVBQESA-N 2 2 388.287 1.091 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]Cc1cccc(I)c1 ZINC000283871102 531905782 /nfs/dbraw/zinc/90/57/82/531905782.db2.gz ISQMDYOEVKWLSC-AWEZNQCLSA-N 2 2 387.265 1.721 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]Cc1cccc(I)c1 ZINC000283871102 531905787 /nfs/dbraw/zinc/90/57/87/531905787.db2.gz ISQMDYOEVKWLSC-AWEZNQCLSA-N 2 2 387.265 1.721 20 0 GDADLP COC(=O)c1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)s1 ZINC000298802889 531923677 /nfs/dbraw/zinc/92/36/77/531923677.db2.gz GPXWVFVKACLWMF-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP COC(=O)c1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)s1 ZINC000298802889 531923682 /nfs/dbraw/zinc/92/36/82/531923682.db2.gz GPXWVFVKACLWMF-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@@H](C2CC2)[C@H]2C[NH2+]CCO2)C1 ZINC000571073267 531950035 /nfs/dbraw/zinc/95/00/35/531950035.db2.gz OFGOUAMYKJPWBW-UNEWFSDZSA-N 2 2 385.555 1.115 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(I)c[nH]1 ZINC000597989284 531961789 /nfs/dbraw/zinc/96/17/89/531961789.db2.gz BNJIYCVRCAOVHP-UHFFFAOYSA-N 2 2 378.258 1.233 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(I)c[nH]1 ZINC000597989284 531961795 /nfs/dbraw/zinc/96/17/95/531961795.db2.gz BNJIYCVRCAOVHP-UHFFFAOYSA-N 2 2 378.258 1.233 20 0 GDADLP NC(=O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655764417 531975762 /nfs/dbraw/zinc/97/57/62/531975762.db2.gz HAIVGNMBLLHAAX-HZPDHXFCSA-N 2 2 382.302 1.818 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)CCOC(C)(C)C)CC2)CC1 ZINC000632489410 532033179 /nfs/dbraw/zinc/03/31/79/532033179.db2.gz JNZQXBMSUKSLMQ-UHFFFAOYSA-N 2 2 375.579 1.623 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)CCOC(C)(C)C)CC2)CC1 ZINC000632489410 532033186 /nfs/dbraw/zinc/03/31/86/532033186.db2.gz JNZQXBMSUKSLMQ-UHFFFAOYSA-N 2 2 375.579 1.623 20 0 GDADLP C[C@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910080 532069319 /nfs/dbraw/zinc/06/93/19/532069319.db2.gz PPYSQQLHCRDVJG-WHOFXGATSA-N 2 2 390.265 1.761 20 0 GDADLP C[C@H]([NH2+]C[C@@H](O)COc1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000422910077 532069691 /nfs/dbraw/zinc/06/96/91/532069691.db2.gz PPYSQQLHCRDVJG-NJZAAPMLSA-N 2 2 390.265 1.761 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)c2cn3ccc(Br)cc3n2)CC1 ZINC000287477725 532217175 /nfs/dbraw/zinc/21/71/75/532217175.db2.gz MSRYYDNHSULFEZ-UHFFFAOYSA-N 2 2 394.317 1.853 20 0 GDADLP Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000430611542 532253188 /nfs/dbraw/zinc/25/31/88/532253188.db2.gz OLEMBSUWBAHGIC-CYBMUJFWSA-N 2 2 397.317 1.448 20 0 GDADLP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CC(=O)N2CC[NH2+]CC2)c(Br)c1 ZINC000430611542 532253192 /nfs/dbraw/zinc/25/31/92/532253192.db2.gz OLEMBSUWBAHGIC-CYBMUJFWSA-N 2 2 397.317 1.448 20 0 GDADLP CCc1ccc(C[NH2+]C[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)o1 ZINC000576364218 570454563 /nfs/dbraw/zinc/45/45/63/570454563.db2.gz NNTAEMRMVKIQPE-INIZCTEOSA-N 2 2 385.512 1.778 20 0 GDADLP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736759196 598898540 /nfs/dbraw/zinc/89/85/40/598898540.db2.gz PNQFOJLRLYXBCW-LBPRGKRZSA-N 2 2 389.529 1.629 20 0 GDADLP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2sc3c(c2-c2nn[nH]n2)CCC3)C1 ZINC000736759196 598898541 /nfs/dbraw/zinc/89/85/41/598898541.db2.gz PNQFOJLRLYXBCW-LBPRGKRZSA-N 2 2 389.529 1.629 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500071 598356019 /nfs/dbraw/zinc/35/60/19/598356019.db2.gz NJXWIFNMCIXPQF-SJORKVTESA-N 2 2 383.456 1.448 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737500071 598356024 /nfs/dbraw/zinc/35/60/24/598356024.db2.gz NJXWIFNMCIXPQF-SJORKVTESA-N 2 2 383.456 1.448 20 0 GDADLP CC[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000736382129 599320396 /nfs/dbraw/zinc/32/03/96/599320396.db2.gz KXDLQQUIAHVMNV-OAHLLOKOSA-N 2 2 381.484 1.925 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2NCC1([NH+]2CCCC2)CCOCC1 ZINC000823796959 599530763 /nfs/dbraw/zinc/53/07/63/599530763.db2.gz IYDBFWFDYQUAHR-UHFFFAOYSA-N 2 2 379.468 1.894 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)[nH+]1 ZINC000822192831 599537304 /nfs/dbraw/zinc/53/73/04/599537304.db2.gz CFOQFHACXVPCKY-UHFFFAOYSA-N 2 2 393.499 1.662 20 0 GDADLP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268407 599675741 /nfs/dbraw/zinc/67/57/41/599675741.db2.gz WENHFMODGDNVGA-GOSISDBHSA-N 2 2 398.515 1.178 20 0 GDADLP CC[N@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821268407 599675742 /nfs/dbraw/zinc/67/57/42/599675742.db2.gz WENHFMODGDNVGA-GOSISDBHSA-N 2 2 398.515 1.178 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(-c2nn[nH]n2)cc1)C(=O)[C@H]1CCn2cc[nH+]c2C1 ZINC000825866316 607471187 /nfs/dbraw/zinc/47/11/87/607471187.db2.gz VMWUHJCNLFZDKU-KRWDZBQOSA-N 2 2 394.483 1.216 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826341661 607637973 /nfs/dbraw/zinc/63/79/73/607637973.db2.gz MZKOTMHUPKFTGQ-AWEZNQCLSA-N 2 2 384.444 1.685 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1oc(C)c(C)c1-c1nn[nH]n1 ZINC000826341661 607637974 /nfs/dbraw/zinc/63/79/74/607637974.db2.gz MZKOTMHUPKFTGQ-AWEZNQCLSA-N 2 2 384.444 1.685 20 0 GDADLP Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000826243264 607687725 /nfs/dbraw/zinc/68/77/25/607687725.db2.gz BAZHALKOJRLZMH-KRWDZBQOSA-N 2 2 383.500 1.416 20 0 GDADLP Cc1cc(-c2nn[nH]n2)ccc1C(=O)N(C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000826243264 607687727 /nfs/dbraw/zinc/68/77/27/607687727.db2.gz BAZHALKOJRLZMH-KRWDZBQOSA-N 2 2 383.500 1.416 20 0 GDADLP COC1CC[NH+](CCNc2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc23)CC1 ZINC000821679573 606200694 /nfs/dbraw/zinc/20/06/94/606200694.db2.gz CVZFIVFCUQTASZ-UHFFFAOYSA-N 2 2 381.484 1.976 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000822192798 606450917 /nfs/dbraw/zinc/45/09/17/606450917.db2.gz BAJNQUGIQZHMLI-QGZVFWFLSA-N 2 2 379.468 1.710 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(NC[C@@H](O)C[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000822192798 606450919 /nfs/dbraw/zinc/45/09/19/606450919.db2.gz BAJNQUGIQZHMLI-QGZVFWFLSA-N 2 2 379.468 1.710 20 0 GDADLP C[N@@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625570 607105210 /nfs/dbraw/zinc/10/52/10/607105210.db2.gz QTJGSHXRBQULRD-NXHRZFHOSA-N 2 2 381.484 1.388 20 0 GDADLP C[N@H+]1CCC[C@@H]2C[NH+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625570 607105213 /nfs/dbraw/zinc/10/52/13/607105213.db2.gz QTJGSHXRBQULRD-NXHRZFHOSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625570 607105214 /nfs/dbraw/zinc/10/52/14/607105214.db2.gz QTJGSHXRBQULRD-NXHRZFHOSA-N 2 2 381.484 1.388 20 0 GDADLP C[NH+]1CCC[C@@H]2C[N@H+]([C@H]3CCN(c4ccc(-c5nn[nH]n5)cc4)C3=O)CC[C@H]21 ZINC000821625570 607105216 /nfs/dbraw/zinc/10/52/16/607105216.db2.gz QTJGSHXRBQULRD-NXHRZFHOSA-N 2 2 381.484 1.388 20 0 GDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826363884 607889548 /nfs/dbraw/zinc/88/95/48/607889548.db2.gz DZOATUUFGNZBCI-MRXNPFEDSA-N 2 2 375.440 1.911 20 0 GDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826363884 607889549 /nfs/dbraw/zinc/88/95/49/607889549.db2.gz DZOATUUFGNZBCI-MRXNPFEDSA-N 2 2 375.440 1.911 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000563709785 650738050 /nfs/dbraw/zinc/73/80/50/650738050.db2.gz XRJLIMSTOGEHRQ-SFHVURJKSA-N 2 2 397.361 1.767 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229170 644330940 /nfs/dbraw/zinc/33/09/40/644330940.db2.gz LZPOGAGAQDHZJL-ZFWWWQNUSA-N 2 2 386.949 1.778 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229170 644330945 /nfs/dbraw/zinc/33/09/45/644330945.db2.gz LZPOGAGAQDHZJL-ZFWWWQNUSA-N 2 2 386.949 1.778 20 0 GDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000292083827 645202372 /nfs/dbraw/zinc/20/23/72/645202372.db2.gz DSNXTSZEAPQGHK-CZUORRHYSA-N 2 2 384.318 1.625 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000918907203 660242638 /nfs/dbraw/zinc/24/26/38/660242638.db2.gz WKDATVSIOPEZTJ-GXTWGEPZSA-N 2 2 380.480 1.844 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000918907203 660242639 /nfs/dbraw/zinc/24/26/39/660242639.db2.gz WKDATVSIOPEZTJ-GXTWGEPZSA-N 2 2 380.480 1.844 20 0 GDADLP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850981 647567206 /nfs/dbraw/zinc/56/72/06/647567206.db2.gz ZEVFGGDFWSQOPO-ZWKOTPCHSA-N 2 2 375.579 1.529 20 0 GDADLP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)CCC[NH+]2CCOCC2)C1 ZINC000498892666 648069315 /nfs/dbraw/zinc/06/93/15/648069315.db2.gz QCKDEIWADSLCJW-QZTJIDSGSA-N 2 2 375.579 1.386 20 0 GDADLP COCC[N@H+](C)C[C@@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000573016322 651466043 /nfs/dbraw/zinc/46/60/43/651466043.db2.gz NUCAFWAUGANFGZ-OAHLLOKOSA-N 2 2 375.311 1.222 20 0 GDADLP COCC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000573016322 651466045 /nfs/dbraw/zinc/46/60/45/651466045.db2.gz NUCAFWAUGANFGZ-OAHLLOKOSA-N 2 2 375.311 1.222 20 0 GDADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000580565408 651926111 /nfs/dbraw/zinc/92/61/11/651926111.db2.gz JKNMZNIMNZDXLU-UHFFFAOYSA-N 2 2 392.978 1.003 20 0 GDADLP O=S(=O)(c1ccc(Cl)s1)N1CCC[N@@H+](CCN2CC[NH2+]CC2)CC1 ZINC000580565408 651926116 /nfs/dbraw/zinc/92/61/16/651926116.db2.gz JKNMZNIMNZDXLU-UHFFFAOYSA-N 2 2 392.978 1.003 20 0 GDADLP C[N@@H+]1CCC[C@H]1CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595943803 652428307 /nfs/dbraw/zinc/42/83/07/652428307.db2.gz RXONKSYKNWZRKB-QMMMGPOBSA-N 2 2 391.278 1.780 20 0 GDADLP C[N@H+]1CCC[C@H]1CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595943803 652428312 /nfs/dbraw/zinc/42/83/12/652428312.db2.gz RXONKSYKNWZRKB-QMMMGPOBSA-N 2 2 391.278 1.780 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000631259589 653232808 /nfs/dbraw/zinc/23/28/08/653232808.db2.gz WRKWVGGFZZLQML-CQSZACIVSA-N 2 2 397.317 1.508 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)COc3ccc(Br)cn3)C2)CC1 ZINC000631259589 653232809 /nfs/dbraw/zinc/23/28/09/653232809.db2.gz WRKWVGGFZZLQML-CQSZACIVSA-N 2 2 397.317 1.508 20 0 GDADLP C[C@H]1C[C@H]([NH3+])C[N@@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857741 653261359 /nfs/dbraw/zinc/26/13/59/653261359.db2.gz MNQVXJLYDRQCCG-RYUDHWBXSA-N 2 2 388.921 1.340 20 0 GDADLP C[C@H]1C[C@H]([NH3+])C[N@H+]1CCC(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1Cl ZINC000631857741 653261360 /nfs/dbraw/zinc/26/13/60/653261360.db2.gz MNQVXJLYDRQCCG-RYUDHWBXSA-N 2 2 388.921 1.340 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1cc(Br)c2nccn2c1 ZINC000633615977 653458394 /nfs/dbraw/zinc/45/83/94/653458394.db2.gz AFWIKWCEBDOZJY-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1cc(Br)c2nccn2c1 ZINC000633615977 653458397 /nfs/dbraw/zinc/45/83/97/653458397.db2.gz AFWIKWCEBDOZJY-UHFFFAOYSA-N 2 2 382.306 1.710 20 0 GDADLP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000639768015 653552691 /nfs/dbraw/zinc/55/26/91/653552691.db2.gz XEQWSLQJQPHKKN-NVXWUHKLSA-N 2 2 387.318 1.577 20 0 GDADLP C[NH+](C)C[C@]1(O)CCC[N@@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000639768015 653552694 /nfs/dbraw/zinc/55/26/94/653552694.db2.gz XEQWSLQJQPHKKN-NVXWUHKLSA-N 2 2 387.318 1.577 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(Br)s2)no1 ZINC000647835716 653635777 /nfs/dbraw/zinc/63/57/77/653635777.db2.gz KIMWGZKXKATMHO-UHFFFAOYSA-N 2 2 386.319 1.898 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2ccc(Br)s2)no1 ZINC000647835716 653635780 /nfs/dbraw/zinc/63/57/80/653635780.db2.gz KIMWGZKXKATMHO-UHFFFAOYSA-N 2 2 386.319 1.898 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000682030504 654745950 /nfs/dbraw/zinc/74/59/50/654745950.db2.gz NXXVEADBDZKZQX-HNNXBMFYSA-N 2 2 396.329 1.982 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)Cc3ccc(Br)cc3O)C2)CC1 ZINC000682030504 654745951 /nfs/dbraw/zinc/74/59/51/654745951.db2.gz NXXVEADBDZKZQX-HNNXBMFYSA-N 2 2 396.329 1.982 20 0 GDADLP C[N@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C1CCC([NH3+])CC1 ZINC000843354001 655393516 /nfs/dbraw/zinc/39/35/16/655393516.db2.gz PYOPCCFNIWFHCZ-UHFFFAOYSA-N 2 2 375.441 1.823 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccccc1S(=O)(=O)C(F)F)C1CCC([NH3+])CC1 ZINC000843354001 655393517 /nfs/dbraw/zinc/39/35/17/655393517.db2.gz PYOPCCFNIWFHCZ-UHFFFAOYSA-N 2 2 375.441 1.823 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000855417309 655693896 /nfs/dbraw/zinc/69/38/96/655693896.db2.gz FMRIWMYGNCIBSC-LBPRGKRZSA-N 2 2 399.171 1.882 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)[C@]1(C)CC1(Br)Br ZINC000855417309 655693897 /nfs/dbraw/zinc/69/38/97/655693897.db2.gz FMRIWMYGNCIBSC-LBPRGKRZSA-N 2 2 399.171 1.882 20 0 GDADLP COc1ccc(Br)cc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710151 655955924 /nfs/dbraw/zinc/95/59/24/655955924.db2.gz WKHFBCPXTSJDGC-FMKPAKJESA-N 2 2 396.285 1.825 20 0 GDADLP COc1ccc(Br)cc1C[N@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710151 655955926 /nfs/dbraw/zinc/95/59/26/655955926.db2.gz WKHFBCPXTSJDGC-FMKPAKJESA-N 2 2 396.285 1.825 20 0 GDADLP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]([NH3+])c3cccc(Br)c3)C2)CC1 ZINC000870884592 656251604 /nfs/dbraw/zinc/25/16/04/656251604.db2.gz AVOCCHZAZUXVIN-WBVHZDCISA-N 2 2 395.345 1.734 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872026986 656318208 /nfs/dbraw/zinc/31/82/08/656318208.db2.gz AGIMWEXKZLKELU-YJBOKZPZSA-N 2 2 396.329 1.890 20 0 GDADLP CN(C)c1nc(N2C[C@@H](F)C[C@H]2C[NH2+]Cc2nc(Br)c[nH]2)cc[nH+]1 ZINC000922031007 656444347 /nfs/dbraw/zinc/44/43/47/656444347.db2.gz CSRRIBQCYXYLRJ-QWRGUYRKSA-N 2 2 398.284 1.735 20 0 GDADLP OCC[NH2+]C1CC[NH+](C[C@H](O)COc2cc(F)cc(Br)c2)CC1 ZINC000923411664 656550868 /nfs/dbraw/zinc/55/08/68/656550868.db2.gz DYSCAXAORUDVJB-HNNXBMFYSA-N 2 2 391.281 1.374 20 0 GDADLP C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cccc(Br)n1 ZINC000925080050 656693766 /nfs/dbraw/zinc/69/37/66/656693766.db2.gz KDGPZPJZKRAUNH-HUUCEWRRSA-N 2 2 383.334 1.901 20 0 GDADLP CC1(C)[NH2+]CC[C@@H]1[NH2+]C[C@H](O)COc1ccc(I)cc1 ZINC000925566136 656714898 /nfs/dbraw/zinc/71/48/98/656714898.db2.gz DVKGHOGQPUPARB-JSGCOSHPSA-N 2 2 390.265 1.761 20 0 GDADLP C[NH+](C)Cc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)c2c1OC(F)(F)O2 ZINC000894469356 658565077 /nfs/dbraw/zinc/56/50/77/658565077.db2.gz METHUQJIKQMWCY-UHFFFAOYSA-N 2 2 378.441 1.983 20 0 GDADLP CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000906654618 659565485 /nfs/dbraw/zinc/56/54/85/659565485.db2.gz KZYSBXSUURNQJF-OLZOCXBDSA-N 2 2 386.751 1.735 20 0 GDADLP CN(C(=O)C[C@H](O)C(Cl)(Cl)Cl)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000906654618 659565488 /nfs/dbraw/zinc/56/54/88/659565488.db2.gz KZYSBXSUURNQJF-OLZOCXBDSA-N 2 2 386.751 1.735 20 0 GDADLP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@@H+]1CCc2sccc2C1 ZINC000914703405 660153996 /nfs/dbraw/zinc/15/39/96/660153996.db2.gz FXJLPJNITNXPEJ-OAHLLOKOSA-N 2 2 382.599 1.681 20 0 GDADLP C[C@H](CNC(=S)NCCC[NH+]1CCOCC1)[N@H+]1CCc2sccc2C1 ZINC000914703405 660153997 /nfs/dbraw/zinc/15/39/97/660153997.db2.gz FXJLPJNITNXPEJ-OAHLLOKOSA-N 2 2 382.599 1.681 20 0 GDADLP O=C(c1cccnc1N1CC[C@H]2[NH2+]CC[C@@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164410961 718875100 /nfs/dbraw/zinc/87/51/00/718875100.db2.gz KHZVURHOOCFSSY-RTWAWAEBSA-N 2 2 391.519 1.980 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@H]3CC(=O)N4Cc3cccnc3)[nH+]2)CC1 ZINC001164690812 719769281 /nfs/dbraw/zinc/76/92/81/719769281.db2.gz IOWXUDYQMHDIKW-RTBURBONSA-N 2 2 392.507 1.608 20 0 GDADLP Cc1nc(N2CCc3c(nnn3C)[C@@H]2COCC[NH+]2CCCC2)c2c([nH+]1)CCC2 ZINC001164714021 720192846 /nfs/dbraw/zinc/19/28/46/720192846.db2.gz FTNXXCBQJLIYAW-IBGZPJMESA-N 2 2 397.527 1.618 20 0 GDADLP COCC[N@@H+]1CCO[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164865304 720883892 /nfs/dbraw/zinc/88/38/92/720883892.db2.gz ZXXGOZFGYRSWBC-IRXDYDNUSA-N 2 2 393.557 1.203 20 0 GDADLP COCC[N@H+]1CCO[C@H]2CN(c3cc(N4CCSCC4)[nH+]cn3)CC[C@H]2C1 ZINC001164865304 720883893 /nfs/dbraw/zinc/88/38/93/720883893.db2.gz ZXXGOZFGYRSWBC-IRXDYDNUSA-N 2 2 393.557 1.203 20 0 GDADLP CC(C)[N@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCOCC3)n1)[C@H]2C ZINC001164859739 720976739 /nfs/dbraw/zinc/97/67/39/720976739.db2.gz LYQVMPJNEWTMSM-INIZCTEOSA-N 2 2 385.516 1.931 20 0 GDADLP CC(C)[N@@H+](C)Cc1cnc2n1CCN(c1cc[nH+]c(N3CCOCC3)n1)[C@H]2C ZINC001164859739 720976743 /nfs/dbraw/zinc/97/67/43/720976743.db2.gz LYQVMPJNEWTMSM-INIZCTEOSA-N 2 2 385.516 1.931 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164771781 721152687 /nfs/dbraw/zinc/15/26/87/721152687.db2.gz TXGROHHEZHPMMQ-LSDHHAIUSA-N 2 2 395.467 1.436 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164771781 721152694 /nfs/dbraw/zinc/15/26/94/721152694.db2.gz TXGROHHEZHPMMQ-LSDHHAIUSA-N 2 2 395.467 1.436 20 0 GDADLP CCN1C(=O)[C@]2(CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]32)N=C1C ZINC001164871672 721230227 /nfs/dbraw/zinc/23/02/27/721230227.db2.gz KHMKFHAGYAJSDA-KGVIQGDOSA-N 2 2 396.539 1.699 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4OCC[C@]4(C(=O)NCC4CC4)C3)[nH+]2)CC1 ZINC001164884199 721342945 /nfs/dbraw/zinc/34/29/45/721342945.db2.gz NFALIIUFXMZKRK-AVRDEDQJSA-N 2 2 399.539 1.345 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CCn4cnc(COCC5CC5)c4C3)[nH+]2)CC1 ZINC001164799807 721599802 /nfs/dbraw/zinc/59/98/02/721599802.db2.gz KKNRXSUEFSBBOP-UHFFFAOYSA-N 2 2 382.512 1.977 20 0 GDADLP Cc1cnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c(C[NH3+])c1 ZINC001164916759 721791199 /nfs/dbraw/zinc/79/11/99/721791199.db2.gz TVYZBLKMTSATQK-OAQYLSRUSA-N 2 2 383.496 1.352 20 0 GDADLP Cc1cnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c(C[NH3+])c1 ZINC001164916759 721791200 /nfs/dbraw/zinc/79/12/00/721791200.db2.gz TVYZBLKMTSATQK-OAQYLSRUSA-N 2 2 383.496 1.352 20 0 GDADLP CC(C)NC(=O)[C@@H]1C[C@@H]2OCCN(c3cccc(N4CC[NH+](C)CC4)[nH+]3)[C@H]2C1 ZINC001164995208 722215382 /nfs/dbraw/zinc/21/53/82/722215382.db2.gz HEPQWTRYEQYVOB-BZSNNMDCSA-N 2 2 387.528 1.342 20 0 GDADLP CCN(C)c1cc[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)n1 ZINC001164997059 722228588 /nfs/dbraw/zinc/22/85/88/722228588.db2.gz NFCFFDGIPXODIP-UHFFFAOYSA-N 2 2 382.516 1.080 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1CCCC[C@@H]1C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271758 945649688 /nfs/dbraw/zinc/64/96/88/945649688.db2.gz IWSNKWAYHCBPRD-CYBMUJFWSA-N 2 2 386.485 1.365 20 0 GDADLP CC(C)COC[C@@H](O)C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824272081 946642204 /nfs/dbraw/zinc/64/22/04/946642204.db2.gz TXHSJHTWZGLBMZ-IBGZPJMESA-N 2 2 388.516 1.454 20 0 GDADLP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227274 947666998 /nfs/dbraw/zinc/66/69/98/947666998.db2.gz OQKFYYLRQSTAGH-CXAGYDPISA-N 2 2 376.530 1.533 20 0 GDADLP NC(=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000826390164 948197569 /nfs/dbraw/zinc/19/75/69/948197569.db2.gz RJCJTWUUZCOPBX-SJLPKXTDSA-N 2 2 383.500 1.465 20 0 GDADLP CC(C)(C(=O)N1CC[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)c1c[nH+]c[nH]1 ZINC001573763455 948872515 /nfs/dbraw/zinc/87/25/15/948872515.db2.gz FOLFJZTYZUVMAU-OAHLLOKOSA-N 2 2 380.456 1.258 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](C)C[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574433293 948950258 /nfs/dbraw/zinc/95/02/58/948950258.db2.gz SENFHTXKWIETQU-LBPRGKRZSA-N 2 2 388.501 1.543 20 0 GDADLP CC(C)C[C@@H](C(=O)N(C)CCNc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574125495 949590913 /nfs/dbraw/zinc/59/09/13/949590913.db2.gz QVGIQLCLUFHMDD-INIZCTEOSA-N 2 2 383.460 1.038 20 0 GDADLP C[C@H](CC(=O)N(C)CC[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)n1cc[nH+]c1 ZINC001574477935 949686077 /nfs/dbraw/zinc/68/60/77/949686077.db2.gz SWBDXSHUIXZDSJ-CYBMUJFWSA-N 2 2 386.435 1.402 20 0 GDADLP C[C@H](CN(C)C(=O)CCc1[nH+]ccn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724291 949864776 /nfs/dbraw/zinc/86/47/76/949864776.db2.gz GNJMSANZJWCLJZ-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575286679 949982452 /nfs/dbraw/zinc/98/24/52/949982452.db2.gz XMANOYNGVINOJJ-CYBMUJFWSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CC(=O)NCC1([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1)n1cc[nH+]c1 ZINC001574497831 950245636 /nfs/dbraw/zinc/24/56/36/950245636.db2.gz DTRZALBINTUXRC-AWEZNQCLSA-N 2 2 380.456 1.453 20 0 GDADLP C[C@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907358 950331674 /nfs/dbraw/zinc/33/16/74/950331674.db2.gz NOFLZCPXVIVJFZ-MEDUHNTESA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)CCn1cc[nH+]c1 ZINC001574524727 950873946 /nfs/dbraw/zinc/87/39/46/950873946.db2.gz YVJYMHYAQKPETG-LSDHHAIUSA-N 2 2 382.472 1.526 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575091127 951770837 /nfs/dbraw/zinc/77/08/37/951770837.db2.gz NVDBHNNMPIYCIP-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP Cc1[nH+]c[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001571170137 952783936 /nfs/dbraw/zinc/78/39/36/952783936.db2.gz TXDBTCPIJDHIAA-UHFFFAOYSA-N 2 2 380.456 1.220 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234675 953204890 /nfs/dbraw/zinc/20/48/90/953204890.db2.gz FSVQKJUQNIFUHW-FHLIZLRMSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234675 953204893 /nfs/dbraw/zinc/20/48/93/953204893.db2.gz FSVQKJUQNIFUHW-FHLIZLRMSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234675 953204896 /nfs/dbraw/zinc/20/48/96/953204896.db2.gz FSVQKJUQNIFUHW-FHLIZLRMSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC[NH+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571234675 953204904 /nfs/dbraw/zinc/20/49/04/953204904.db2.gz FSVQKJUQNIFUHW-FHLIZLRMSA-N 2 2 383.500 1.430 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2ccccc2Br)CN1CC[NH+]1CCOCC1 ZINC000172697004 530616924 /nfs/dbraw/zinc/61/69/24/530616924.db2.gz DOPSMAKSENYGHY-HNNXBMFYSA-N 2 2 382.302 1.472 20 0 GDADLP Cc1nc(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000048783892 530670975 /nfs/dbraw/zinc/67/09/75/530670975.db2.gz KUNWYZRETQXUIT-UHFFFAOYSA-N 2 2 381.527 1.088 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000181062859 530777889 /nfs/dbraw/zinc/77/78/89/530777889.db2.gz LIEJYDXZPQTJOP-UHFFFAOYSA-N 2 2 379.448 1.750 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)c(F)c1 ZINC000181062859 530777891 /nfs/dbraw/zinc/77/78/91/530777891.db2.gz LIEJYDXZPQTJOP-UHFFFAOYSA-N 2 2 379.448 1.750 20 0 GDADLP C[N@@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000129174250 531047886 /nfs/dbraw/zinc/04/78/86/531047886.db2.gz IQDFDNKDTAZBPH-GFCCVEGCSA-N 2 2 388.921 1.200 20 0 GDADLP C[N@H+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000129174250 531047890 /nfs/dbraw/zinc/04/78/90/531047890.db2.gz IQDFDNKDTAZBPH-GFCCVEGCSA-N 2 2 388.921 1.200 20 0 GDADLP C[NH+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000129174250 531047894 /nfs/dbraw/zinc/04/78/94/531047894.db2.gz IQDFDNKDTAZBPH-GFCCVEGCSA-N 2 2 388.921 1.200 20 0 GDADLP C[NH+](CC(=O)Nc1cc(S(N)(=O)=O)ccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000129174250 531047899 /nfs/dbraw/zinc/04/78/99/531047899.db2.gz IQDFDNKDTAZBPH-GFCCVEGCSA-N 2 2 388.921 1.200 20 0 GDADLP COCC[N@@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261631050 531094053 /nfs/dbraw/zinc/09/40/53/531094053.db2.gz BTKZIHSTTWNGKM-CXAGYDPISA-N 2 2 384.318 1.802 20 0 GDADLP COCC[N@H+]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1C ZINC000261631050 531094056 /nfs/dbraw/zinc/09/40/56/531094056.db2.gz BTKZIHSTTWNGKM-CXAGYDPISA-N 2 2 384.318 1.802 20 0 GDADLP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000262007977 531105079 /nfs/dbraw/zinc/10/50/79/531105079.db2.gz MAMVXSKQVZZHDZ-CQSZACIVSA-N 2 2 375.274 1.977 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[N@@H+]1C[C@H](C)O ZINC000261856989 531100742 /nfs/dbraw/zinc/10/07/42/531100742.db2.gz WLDHDVQTDPZCOR-XCRHUMRWSA-N 2 2 398.345 1.927 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[N@H+]1C[C@H](C)O ZINC000261856989 531100744 /nfs/dbraw/zinc/10/07/44/531100744.db2.gz WLDHDVQTDPZCOR-XCRHUMRWSA-N 2 2 398.345 1.927 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000262039384 531105431 /nfs/dbraw/zinc/10/54/31/531105431.db2.gz OXLUUNAPDHHGQM-CYBMUJFWSA-N 2 2 398.301 1.997 20 0 GDADLP [NH3+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cc2c(cc1Br)OCO2 ZINC000262039384 531105434 /nfs/dbraw/zinc/10/54/34/531105434.db2.gz OXLUUNAPDHHGQM-CYBMUJFWSA-N 2 2 398.301 1.997 20 0 GDADLP Cn1cc(Br)c(C[NH+]2CCC(CC(=O)N3CC[NH+](C)CC3)CC2)n1 ZINC000432811959 531209799 /nfs/dbraw/zinc/20/97/99/531209799.db2.gz GNSUNIRVDKDMAY-UHFFFAOYSA-N 2 2 398.349 1.559 20 0 GDADLP Cn1c[nH+]cc1CCC[NH+]1CCC(N(CC(F)(F)F)S(C)(=O)=O)CC1 ZINC000519551897 531214673 /nfs/dbraw/zinc/21/46/73/531214673.db2.gz SFKGGUVAHBTFPZ-UHFFFAOYSA-N 2 2 382.452 1.641 20 0 GDADLP COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@H+](C)C1CC[NH+](C)CC1 ZINC000278684147 531379420 /nfs/dbraw/zinc/37/94/20/531379420.db2.gz DNVKWKPQDQXHSO-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP COc1ccc(Cl)cc1S(=O)(=O)N(C)CC[N@@H+](C)C1CC[NH+](C)CC1 ZINC000278684147 531379423 /nfs/dbraw/zinc/37/94/23/531379423.db2.gz DNVKWKPQDQXHSO-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000486023188 531444197 /nfs/dbraw/zinc/44/41/97/531444197.db2.gz NSHAJVMXCSYXBH-MRXNPFEDSA-N 2 2 394.313 1.780 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](Cc2cc(Br)cc3c2OCC3)C1 ZINC000486023188 531444202 /nfs/dbraw/zinc/44/42/02/531444202.db2.gz NSHAJVMXCSYXBH-MRXNPFEDSA-N 2 2 394.313 1.780 20 0 GDADLP C[N@@H+]1CC[C@@H](CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000636008128 531529998 /nfs/dbraw/zinc/52/99/98/531529998.db2.gz FDNWOAXSPPYOID-LBPRGKRZSA-N 2 2 383.290 1.961 20 0 GDADLP C[N@H+]1CC[C@@H](CC(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000636008128 531530003 /nfs/dbraw/zinc/53/00/03/531530003.db2.gz FDNWOAXSPPYOID-LBPRGKRZSA-N 2 2 383.290 1.961 20 0 GDADLP O=C(NCC[NH+]1CCSCC1)NCc1cn2cc(Br)ccc2[nH+]1 ZINC000490991006 531545709 /nfs/dbraw/zinc/54/57/09/531545709.db2.gz VWMDYDGZJVZOSU-UHFFFAOYSA-N 2 2 398.330 1.945 20 0 GDADLP COc1cc(Br)c(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000491184839 531550452 /nfs/dbraw/zinc/55/04/52/531550452.db2.gz XUMVDUQFUQHSAZ-ZDUSSCGKSA-N 2 2 384.318 1.946 20 0 GDADLP COc1cc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000416375806 531586910 /nfs/dbraw/zinc/58/69/10/531586910.db2.gz WNBGULSBBABXOP-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP COc1cc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)ccc1Cl ZINC000416375806 531586916 /nfs/dbraw/zinc/58/69/16/531586916.db2.gz WNBGULSBBABXOP-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662527274 531685239 /nfs/dbraw/zinc/68/52/39/531685239.db2.gz SIEBPQZXGAQEBD-KRWDZBQOSA-N 2 2 397.361 1.839 20 0 GDADLP C[NH+](C)CCN1CCC(CNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662527274 531685246 /nfs/dbraw/zinc/68/52/46/531685246.db2.gz SIEBPQZXGAQEBD-KRWDZBQOSA-N 2 2 397.361 1.839 20 0 GDADLP OC[C@@H]1CSCC[NH+]1CC(C[N@H+]1CCSC[C@H]1CO)c1ccccc1 ZINC000639554659 531694680 /nfs/dbraw/zinc/69/46/80/531694680.db2.gz CSFGDHZUPUFXTP-RTBURBONSA-N 2 2 382.595 1.590 20 0 GDADLP OC[C@@H]1CSCC[NH+]1CC(C[N@@H+]1CCSC[C@H]1CO)c1ccccc1 ZINC000639554659 531694686 /nfs/dbraw/zinc/69/46/86/531694686.db2.gz CSFGDHZUPUFXTP-RTBURBONSA-N 2 2 382.595 1.590 20 0 GDADLP COC(=O)[C@@H]1C[NH2+]CCCN1Cc1c[nH+]c2c(C)cc(Br)cn12 ZINC000592434737 531786150 /nfs/dbraw/zinc/78/61/50/531786150.db2.gz NZNCGFKEUOPAKC-AWEZNQCLSA-N 2 2 381.274 1.742 20 0 GDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000562969910 531793495 /nfs/dbraw/zinc/79/34/95/531793495.db2.gz NHDXCWCORVCKIE-DZGCQCFKSA-N 2 2 392.301 1.938 20 0 GDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Br)C[C@H]2[NH3+])cn1 ZINC000562969910 531793504 /nfs/dbraw/zinc/79/35/04/531793504.db2.gz NHDXCWCORVCKIE-DZGCQCFKSA-N 2 2 392.301 1.938 20 0 GDADLP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000625893251 531919094 /nfs/dbraw/zinc/91/90/94/531919094.db2.gz OICGSTRDHRBAPK-QWHCGFSZSA-N 2 2 398.305 1.943 20 0 GDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc(OC)c1Br ZINC000571055937 531947601 /nfs/dbraw/zinc/94/76/01/531947601.db2.gz IJIBTVADHYWXHO-LLVKDONJSA-N 2 2 387.278 1.573 20 0 GDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc(OC)c1Br ZINC000571055937 531947606 /nfs/dbraw/zinc/94/76/06/531947606.db2.gz IJIBTVADHYWXHO-LLVKDONJSA-N 2 2 387.278 1.573 20 0 GDADLP Cc1c(Br)cncc1C[NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362415 532005345 /nfs/dbraw/zinc/00/53/45/532005345.db2.gz CAFVLDHVSUKPAT-MRXNPFEDSA-N 2 2 383.334 1.649 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)CC1 ZINC000632489774 532034108 /nfs/dbraw/zinc/03/41/08/532034108.db2.gz SJRHJKIVLJRPSS-HNNXBMFYSA-N 2 2 379.517 1.854 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(S(=O)(=O)C[C@@H]3CCC3(F)F)CC2)CC1 ZINC000632489774 532034110 /nfs/dbraw/zinc/03/41/10/532034110.db2.gz SJRHJKIVLJRPSS-HNNXBMFYSA-N 2 2 379.517 1.854 20 0 GDADLP C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@@H]1CCC[NH2+]1 ZINC000422910081 532069486 /nfs/dbraw/zinc/06/94/86/532069486.db2.gz PPYSQQLHCRDVJG-ZLDLUXBVSA-N 2 2 390.265 1.761 20 0 GDADLP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1 ZINC000333356228 532230905 /nfs/dbraw/zinc/23/09/05/532230905.db2.gz SASXQRGVCQTVSU-NWDGAFQWSA-N 2 2 398.305 1.895 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430641602 532254893 /nfs/dbraw/zinc/25/48/93/532254893.db2.gz MJFWRJBFWMXSIO-LBPRGKRZSA-N 2 2 383.290 1.140 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Br)cc1)[N@@H+](C)CC(=O)N1CC[NH2+]CC1 ZINC000430641602 532254896 /nfs/dbraw/zinc/25/48/96/532254896.db2.gz MJFWRJBFWMXSIO-LBPRGKRZSA-N 2 2 383.290 1.140 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430939302 532258822 /nfs/dbraw/zinc/25/88/22/532258822.db2.gz KOUVCCHYMKOGQR-NWDGAFQWSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430939302 532258827 /nfs/dbraw/zinc/25/88/27/532258827.db2.gz KOUVCCHYMKOGQR-NWDGAFQWSA-N 2 2 388.921 1.198 20 0 GDADLP NC(=O)[C@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738010 599092623 /nfs/dbraw/zinc/09/26/23/599092623.db2.gz UAXKYLJVZUKHRD-LJQANCHMSA-N 2 2 391.479 1.779 20 0 GDADLP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735882063 598344929 /nfs/dbraw/zinc/34/49/29/598344929.db2.gz NLUSCUJYORWDEJ-LJQANCHMSA-N 2 2 385.516 1.094 20 0 GDADLP CC(C)[N@H+]1CCO[C@H](CN2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000735882063 598344931 /nfs/dbraw/zinc/34/49/31/598344931.db2.gz NLUSCUJYORWDEJ-LJQANCHMSA-N 2 2 385.516 1.094 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000735559612 598523281 /nfs/dbraw/zinc/52/32/81/598523281.db2.gz MILXCWUKJJIBID-HNNXBMFYSA-N 2 2 399.499 1.238 20 0 GDADLP Fc1cc(C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)ccc1-n1cc[nH+]c1 ZINC000737645043 598526752 /nfs/dbraw/zinc/52/67/52/598526752.db2.gz OPPKOMMYDOLZAG-ZDUSSCGKSA-N 2 2 394.418 1.220 20 0 GDADLP O=C(CC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)N1CCN(c2cccc[nH+]2)CC1 ZINC000822969429 606216370 /nfs/dbraw/zinc/21/63/70/606216370.db2.gz OHITWGJVAWHYMJ-UHFFFAOYSA-N 2 2 398.496 1.152 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478499 606616917 /nfs/dbraw/zinc/61/69/17/606616917.db2.gz SMEMJYYJCAJMEJ-ZFWWWQNUSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1-c1nn[nH]n1 ZINC000822478499 606616918 /nfs/dbraw/zinc/61/69/18/606616918.db2.gz SMEMJYYJCAJMEJ-ZFWWWQNUSA-N 2 2 380.456 1.863 20 0 GDADLP CC1CC[NH+](CC(=O)N2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1 ZINC000820723298 606642080 /nfs/dbraw/zinc/64/20/80/606642080.db2.gz ZRGWXRVIACKJCK-UHFFFAOYSA-N 2 2 383.500 1.243 20 0 GDADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824297590 609416108 /nfs/dbraw/zinc/41/61/08/609416108.db2.gz XJWNKKKWGGHTNQ-GOSISDBHSA-N 2 2 383.500 1.825 20 0 GDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccccc1Br ZINC000423075366 646111556 /nfs/dbraw/zinc/11/15/56/646111556.db2.gz OJVZGTODAPHRBE-MORSLUCNSA-N 2 2 383.330 1.957 20 0 GDADLP C[C@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423095185 646112086 /nfs/dbraw/zinc/11/20/86/646112086.db2.gz DNHLCBLMVPLRSH-YPMHNXCESA-N 2 2 379.885 1.114 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000918907321 660242629 /nfs/dbraw/zinc/24/26/29/660242629.db2.gz XCAHQSLNXKATDU-GFCCVEGCSA-N 2 2 397.321 1.207 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3cnc(Br)cn3)C2)CC1 ZINC000918907321 660242630 /nfs/dbraw/zinc/24/26/30/660242630.db2.gz XCAHQSLNXKATDU-GFCCVEGCSA-N 2 2 397.321 1.207 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462405992 647526912 /nfs/dbraw/zinc/52/69/12/647526912.db2.gz GPHCQFOKIQSMGZ-SFHVURJKSA-N 2 2 396.329 1.972 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000462405992 647526914 /nfs/dbraw/zinc/52/69/14/647526914.db2.gz GPHCQFOKIQSMGZ-SFHVURJKSA-N 2 2 396.329 1.972 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664672 648532162 /nfs/dbraw/zinc/53/21/62/648532162.db2.gz PETSKRSRQWATDT-JKSUJKDBSA-N 2 2 390.285 1.379 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664672 648532167 /nfs/dbraw/zinc/53/21/67/648532167.db2.gz PETSKRSRQWATDT-JKSUJKDBSA-N 2 2 390.285 1.379 20 0 GDADLP C[NH+](C)[C@H](CNC(=O)C1(S(C)(=O)=O)CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000576469358 651666960 /nfs/dbraw/zinc/66/69/60/651666960.db2.gz POFFWWVERWCTAW-OAHLLOKOSA-N 2 2 387.933 1.226 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000629601272 653176485 /nfs/dbraw/zinc/17/64/85/653176485.db2.gz BTAFCLLTQPEJBE-HNNXBMFYSA-N 2 2 397.317 1.707 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC(=O)Nc1ccc(Br)cc1 ZINC000629601272 653176490 /nfs/dbraw/zinc/17/64/90/653176490.db2.gz BTAFCLLTQPEJBE-HNNXBMFYSA-N 2 2 397.317 1.707 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000630611628 653218293 /nfs/dbraw/zinc/21/82/93/653218293.db2.gz HYIRJJUMMOQTIO-KRWDZBQOSA-N 3 2 395.349 1.972 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCn1cc([C@@H]([NH3+])c2ccc(Br)cc2)nn1 ZINC000630611628 653218300 /nfs/dbraw/zinc/21/83/00/653218300.db2.gz HYIRJJUMMOQTIO-KRWDZBQOSA-N 3 2 395.349 1.972 20 0 GDADLP NS(=O)(=O)c1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1Cl ZINC000643888138 653592110 /nfs/dbraw/zinc/59/21/10/653592110.db2.gz ZHVTYRBMBDTXPN-AWEZNQCLSA-N 2 2 387.933 1.578 20 0 GDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662244457 654290495 /nfs/dbraw/zinc/29/04/95/654290495.db2.gz QRPJNQCLWRLRCJ-SNVBAGLBSA-N 2 2 375.698 1.784 20 0 GDADLP [NH3+]CCNC(=O)[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Cl)C1 ZINC000662244457 654290500 /nfs/dbraw/zinc/29/05/00/654290500.db2.gz QRPJNQCLWRLRCJ-SNVBAGLBSA-N 2 2 375.698 1.784 20 0 GDADLP CSc1nnc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682127159 654748668 /nfs/dbraw/zinc/74/86/68/654748668.db2.gz XKXGAUUPALFPOL-CYBMUJFWSA-N 2 2 384.575 1.570 20 0 GDADLP CSc1nnc(CNC(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)s1 ZINC000682127159 654748673 /nfs/dbraw/zinc/74/86/73/654748673.db2.gz XKXGAUUPALFPOL-CYBMUJFWSA-N 2 2 384.575 1.570 20 0 GDADLP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817963877 655363014 /nfs/dbraw/zinc/36/30/14/655363014.db2.gz WQQDIMFKNUGMAH-UKRRQHHQSA-N 2 2 391.559 1.580 20 0 GDADLP C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843353668 655393519 /nfs/dbraw/zinc/39/35/19/655393519.db2.gz IKJPUTUPHKUYQR-UHFFFAOYSA-N 2 2 375.441 1.823 20 0 GDADLP C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCC([NH3+])CC1 ZINC000843353668 655393520 /nfs/dbraw/zinc/39/35/20/655393520.db2.gz IKJPUTUPHKUYQR-UHFFFAOYSA-N 2 2 375.441 1.823 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccncc2Br)CC1 ZINC000863547159 655875329 /nfs/dbraw/zinc/87/53/29/655875329.db2.gz JGXLEQWICUMAFB-CABCVRRESA-N 2 2 381.274 1.601 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000866714681 655956215 /nfs/dbraw/zinc/95/62/15/655956215.db2.gz VBUAGDALDWHPSC-ZNMIVQPWSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(F)cc(Br)c2)C1 ZINC000866714681 655956217 /nfs/dbraw/zinc/95/62/17/655956217.db2.gz VBUAGDALDWHPSC-ZNMIVQPWSA-N 2 2 384.249 1.955 20 0 GDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876875458 656636654 /nfs/dbraw/zinc/63/66/54/656636654.db2.gz VYTQHQHNVUNPFR-MRXNPFEDSA-N 2 2 397.317 1.119 20 0 GDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000876875458 656636660 /nfs/dbraw/zinc/63/66/60/656636660.db2.gz VYTQHQHNVUNPFR-MRXNPFEDSA-N 2 2 397.317 1.119 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@@H]1C ZINC000876904083 656638758 /nfs/dbraw/zinc/63/87/58/656638758.db2.gz SRQRVQUKMPCUFC-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@@H]1C ZINC000876904083 656638762 /nfs/dbraw/zinc/63/87/62/656638762.db2.gz SRQRVQUKMPCUFC-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000884211466 657335141 /nfs/dbraw/zinc/33/51/41/657335141.db2.gz FCCRMXRAQOHEPZ-OAGGEKHMSA-N 2 2 382.302 1.507 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000894303424 658536247 /nfs/dbraw/zinc/53/62/47/658536247.db2.gz BHGGJRJKWQMOFV-UHFFFAOYSA-N 2 2 385.354 1.618 20 0 GDADLP Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cnc1Cl ZINC000903562770 659342159 /nfs/dbraw/zinc/34/21/59/659342159.db2.gz SQVNQLSQFZXANZ-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP Cc1cc(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)cnc1Cl ZINC000903562770 659342164 /nfs/dbraw/zinc/34/21/64/659342164.db2.gz SQVNQLSQFZXANZ-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H](N4CCCC4=O)[C@@H]4OCCC[C@H]4C3)[nH+]2)CC1 ZINC001164655190 719304327 /nfs/dbraw/zinc/30/43/27/719304327.db2.gz SIYPXIPBTRNSBS-NJNPRVFISA-N 2 2 399.539 1.440 20 0 GDADLP CCOC(=O)c1c[nH]c2ncnc(-n3nc(C[N@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164685638 719612338 /nfs/dbraw/zinc/61/23/38/719612338.db2.gz VFQDDILHTBMULM-UHFFFAOYSA-N 2 2 397.483 1.806 20 0 GDADLP CCOC(=O)c1c[nH]c2ncnc(-n3nc(C[N@@H+](C)C(C)C)c4c3C[NH2+]CC4)c12 ZINC001164685638 719612349 /nfs/dbraw/zinc/61/23/49/719612349.db2.gz VFQDDILHTBMULM-UHFFFAOYSA-N 2 2 397.483 1.806 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)[nH+]1 ZINC001164746353 720602445 /nfs/dbraw/zinc/60/24/45/720602445.db2.gz XYQRWPUFCPTNIM-IAGOWNOFSA-N 2 2 381.484 1.517 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@H](Oc4cncnc4)C[C@@H]3C2)[nH+]1 ZINC001164746353 720602466 /nfs/dbraw/zinc/60/24/66/720602466.db2.gz XYQRWPUFCPTNIM-IAGOWNOFSA-N 2 2 381.484 1.517 20 0 GDADLP COCC[N@@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C/C(=O)OC)CC[C@@H]2C1 ZINC001164856086 720868148 /nfs/dbraw/zinc/86/81/48/720868148.db2.gz OTFPGLNYSLOEBD-NYQZOWANSA-N 2 2 389.496 1.750 20 0 GDADLP COCC[N@H+]1CCO[C@@H]2CN(c3[nH+]cc(C)cc3/C=C/C(=O)OC)CC[C@@H]2C1 ZINC001164856086 720868149 /nfs/dbraw/zinc/86/81/49/720868149.db2.gz OTFPGLNYSLOEBD-NYQZOWANSA-N 2 2 389.496 1.750 20 0 GDADLP CCCc1cc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)nc(C)[nH+]1 ZINC001164872806 721279519 /nfs/dbraw/zinc/27/95/19/721279519.db2.gz FXUIYULZQBOOBH-UHFFFAOYSA-N 2 2 389.544 1.745 20 0 GDADLP CCCc1cc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)nc(C)[nH+]1 ZINC001164872806 721279525 /nfs/dbraw/zinc/27/95/25/721279525.db2.gz FXUIYULZQBOOBH-UHFFFAOYSA-N 2 2 389.544 1.745 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CCN(C(=O)c5ccco5)[C@@H]4C3)[nH+]2)CC1 ZINC001164958111 722047697 /nfs/dbraw/zinc/04/76/97/722047697.db2.gz LMTVXHNIKPTNCO-IAGOWNOFSA-N 2 2 381.480 1.777 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H]4CC(C(=O)NC5CCC5)C[C@@H]4C3)[nH+]2)CC1 ZINC001164972054 722085278 /nfs/dbraw/zinc/08/52/78/722085278.db2.gz KOHKIVQISQCNFR-QZTJIDSGSA-N 2 2 383.540 1.965 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281889 945819333 /nfs/dbraw/zinc/81/93/33/945819333.db2.gz BMWZPBZMPXCLCP-WBVHZDCISA-N 2 2 387.463 1.181 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281889 945819343 /nfs/dbraw/zinc/81/93/43/945819343.db2.gz BMWZPBZMPXCLCP-WBVHZDCISA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281889 945819355 /nfs/dbraw/zinc/81/93/55/945819355.db2.gz BMWZPBZMPXCLCP-WBVHZDCISA-N 2 2 387.463 1.181 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281889 945819364 /nfs/dbraw/zinc/81/93/64/945819364.db2.gz BMWZPBZMPXCLCP-WBVHZDCISA-N 2 2 387.463 1.181 20 0 GDADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809951 945871487 /nfs/dbraw/zinc/87/14/87/945871487.db2.gz UJSVFHLPYNXKGI-OAQYLSRUSA-N 2 2 394.479 1.602 20 0 GDADLP COc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1-c1nn[nH]n1 ZINC000821809951 945871500 /nfs/dbraw/zinc/87/15/00/945871500.db2.gz UJSVFHLPYNXKGI-OAQYLSRUSA-N 2 2 394.479 1.602 20 0 GDADLP c1[nH]nc2c1C[C@@H]([NH2+]C1CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC1)CC2 ZINC000826513570 948437723 /nfs/dbraw/zinc/43/77/23/948437723.db2.gz PCDPDIHQVABZGS-SFHVURJKSA-N 2 2 378.484 1.701 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924057 948962973 /nfs/dbraw/zinc/96/29/73/948962973.db2.gz UXGMXHKLHFUCBI-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@H](CNC(=O)CCn1cc[nH+]c1)[N@@H+](C)Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001574924057 948962981 /nfs/dbraw/zinc/96/29/81/948962981.db2.gz UXGMXHKLHFUCBI-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP CC(C)(C(=O)N[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573775075 949029664 /nfs/dbraw/zinc/02/96/64/949029664.db2.gz YTECSRABGLHNLU-AWEZNQCLSA-N 2 2 384.488 1.221 20 0 GDADLP C[C@@H](CN(C)C(=O)[C@@H](C)Cc1c[nH]c[nH+]1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574698069 949176008 /nfs/dbraw/zinc/17/60/08/949176008.db2.gz FSOJDYALAHYXDE-KBPBESRZSA-N 2 2 382.472 1.405 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264367 949424393 /nfs/dbraw/zinc/42/43/93/949424393.db2.gz NVYRJWKQPAFHIA-WFASDCNBSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575264367 949424404 /nfs/dbraw/zinc/42/44/04/949424404.db2.gz NVYRJWKQPAFHIA-WFASDCNBSA-N 2 2 389.529 1.349 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001573812822 949621125 /nfs/dbraw/zinc/62/11/25/949621125.db2.gz UVSRYPLEAOAHAO-OAHLLOKOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@H](CN(C)C(=O)C[C@@H](C)n1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574718180 949765766 /nfs/dbraw/zinc/76/57/66/949765766.db2.gz ZCXYVYZFNDHDSE-HUUCEWRRSA-N 2 2 382.472 1.651 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001574724946 949885614 /nfs/dbraw/zinc/88/56/14/949885614.db2.gz MQOMPXVHULFUEZ-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492069 950061320 /nfs/dbraw/zinc/06/13/20/950061320.db2.gz ITUNPAGCOUJUCF-STQMWFEESA-N 2 2 386.485 1.467 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492069 950061335 /nfs/dbraw/zinc/06/13/35/950061335.db2.gz ITUNPAGCOUJUCF-STQMWFEESA-N 2 2 386.485 1.467 20 0 GDADLP C[C@H](CC(=O)NC1CCN(c2cc[nH+]cc2-c2nn[nH]n2)CC1)n1cc[nH+]c1 ZINC001574493576 950135446 /nfs/dbraw/zinc/13/54/46/950135446.db2.gz UDOVRUHNXXWNTN-CYBMUJFWSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@@H]1[C@@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575899944 950185935 /nfs/dbraw/zinc/18/59/35/950185935.db2.gz BAGAXGDDYLVFPV-BZNIZROVSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574515145 950624325 /nfs/dbraw/zinc/62/43/25/950624325.db2.gz AHFCVIGSDGFQCT-RRQGHBQHSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574522814 950799634 /nfs/dbraw/zinc/79/96/34/950799634.db2.gz LCXYSUIBANLAMK-VXGBXAGGSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](C[C@H](C)[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH+]cn1C ZINC001574524466 950861574 /nfs/dbraw/zinc/86/15/74/950861574.db2.gz WTCVIMXBAXXTQO-UONOGXRCSA-N 2 2 382.472 1.216 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167254 952772360 /nfs/dbraw/zinc/77/23/60/952772360.db2.gz ZWDIFGOXTREFPU-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571167254 952772363 /nfs/dbraw/zinc/77/23/63/952772363.db2.gz ZWDIFGOXTREFPU-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP COc1nc(N2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)ncc1Br ZINC000163232986 530574302 /nfs/dbraw/zinc/57/43/02/530574302.db2.gz LMZQBIJLXRQBIF-CYBMUJFWSA-N 2 2 384.322 1.854 20 0 GDADLP COc1nc(N2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)ncc1Br ZINC000163232986 530574305 /nfs/dbraw/zinc/57/43/05/530574305.db2.gz LMZQBIJLXRQBIF-CYBMUJFWSA-N 2 2 384.322 1.854 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175174153 530659637 /nfs/dbraw/zinc/65/96/37/530659637.db2.gz XAVLXFLZILBRAY-GOSISDBHSA-N 2 2 375.579 1.530 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000175174153 530659640 /nfs/dbraw/zinc/65/96/40/530659640.db2.gz XAVLXFLZILBRAY-GOSISDBHSA-N 2 2 375.579 1.530 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000180960728 530774937 /nfs/dbraw/zinc/77/49/37/530774937.db2.gz QYDHFBZXNZMTLK-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000180960728 530774941 /nfs/dbraw/zinc/77/49/41/530774941.db2.gz QYDHFBZXNZMTLK-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@H+](C)[C@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000180960728 530774944 /nfs/dbraw/zinc/77/49/44/530774944.db2.gz QYDHFBZXNZMTLK-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)[C@H](C(N)=O)c1cccc(Br)c1)C1CC[NH+](C)CC1 ZINC000180960728 530774947 /nfs/dbraw/zinc/77/49/47/530774947.db2.gz QYDHFBZXNZMTLK-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000180938831 530775085 /nfs/dbraw/zinc/77/50/85/530775085.db2.gz YJMZIIHXAUZZPP-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000180938831 530775089 /nfs/dbraw/zinc/77/50/89/530775089.db2.gz YJMZIIHXAUZZPP-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000180938831 530775091 /nfs/dbraw/zinc/77/50/91/530775091.db2.gz YJMZIIHXAUZZPP-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP CN(CC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1)C1CC[NH+](C)CC1 ZINC000180938831 530775094 /nfs/dbraw/zinc/77/50/94/530775094.db2.gz YJMZIIHXAUZZPP-KRWDZBQOSA-N 2 2 397.361 1.933 20 0 GDADLP O=C(C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(I)c1 ZINC000261825576 531100193 /nfs/dbraw/zinc/10/01/93/531100193.db2.gz UHFCBGXLGLPJGI-OAHLLOKOSA-N 2 2 385.249 1.915 20 0 GDADLP O=C(C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(I)c1 ZINC000261825576 531100194 /nfs/dbraw/zinc/10/01/94/531100194.db2.gz UHFCBGXLGLPJGI-OAHLLOKOSA-N 2 2 385.249 1.915 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2nc3ccccn3c2Br)CC1 ZINC000290234216 531217990 /nfs/dbraw/zinc/21/79/90/531217990.db2.gz GEJFIWNENWQJSV-UHFFFAOYSA-N 2 2 380.290 1.351 20 0 GDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@H+](C)C1 ZINC000414479962 531457892 /nfs/dbraw/zinc/45/78/92/531457892.db2.gz AFVMQQGEALWAPA-LBPRGKRZSA-N 2 2 381.274 1.633 20 0 GDADLP COC(=O)[C@@H]1CN(Cc2c[nH+]c3ccc(Br)cn23)CC[N@@H+](C)C1 ZINC000414479962 531457894 /nfs/dbraw/zinc/45/78/94/531457894.db2.gz AFVMQQGEALWAPA-LBPRGKRZSA-N 2 2 381.274 1.633 20 0 GDADLP Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1 ZINC000658428919 531510524 /nfs/dbraw/zinc/51/05/24/531510524.db2.gz PPAJAZFGDGNLBQ-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP Cc1cc(Br)cc(NC(=O)C(=O)NCC[N@H+](C)CCC[NH+](C)C)c1 ZINC000658428919 531510530 /nfs/dbraw/zinc/51/05/30/531510530.db2.gz PPAJAZFGDGNLBQ-UHFFFAOYSA-N 2 2 399.333 1.696 20 0 GDADLP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000661190315 531644208 /nfs/dbraw/zinc/64/42/08/531644208.db2.gz AWPYPTMKQRUTHI-GJZGRUSLSA-N 2 2 385.496 1.310 20 0 GDADLP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC1 ZINC000661190315 531644216 /nfs/dbraw/zinc/64/42/16/531644216.db2.gz AWPYPTMKQRUTHI-GJZGRUSLSA-N 2 2 385.496 1.310 20 0 GDADLP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000638871306 531668265 /nfs/dbraw/zinc/66/82/65/531668265.db2.gz LDJNODQOYOQHRQ-AWEZNQCLSA-N 2 2 387.311 1.598 20 0 GDADLP C[N@@H+]1CCO[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000561046797 531678528 /nfs/dbraw/zinc/67/85/28/531678528.db2.gz UUNRPPWOGYTMLY-CQSZACIVSA-N 2 2 397.273 1.598 20 0 GDADLP C[N@H+]1CCO[C@@H](C(=O)N(CCn2cc[nH+]c2)Cc2ccc(Br)o2)C1 ZINC000561046797 531678537 /nfs/dbraw/zinc/67/85/37/531678537.db2.gz UUNRPPWOGYTMLY-CQSZACIVSA-N 2 2 397.273 1.598 20 0 GDADLP OC[C@@H]1CSCC[NH+]1C[C@@H](C[N@H+]1CCSC[C@@H]1CO)c1ccccc1 ZINC000639554658 531695223 /nfs/dbraw/zinc/69/52/23/531695223.db2.gz CSFGDHZUPUFXTP-REPLKXPHSA-N 2 2 382.595 1.590 20 0 GDADLP OC[C@@H]1CSCC[NH+]1C[C@@H](C[N@@H+]1CCSC[C@@H]1CO)c1ccccc1 ZINC000639554658 531695225 /nfs/dbraw/zinc/69/52/25/531695225.db2.gz CSFGDHZUPUFXTP-REPLKXPHSA-N 2 2 382.595 1.590 20 0 GDADLP OC[C@@H]1CSCC[N@H+]1C[C@@H](C[NH+]1CCSC[C@@H]1CO)c1ccccc1 ZINC000639554658 531695226 /nfs/dbraw/zinc/69/52/26/531695226.db2.gz CSFGDHZUPUFXTP-REPLKXPHSA-N 2 2 382.595 1.590 20 0 GDADLP OC[C@@H]1CSCC[N@@H+]1C[C@@H](C[NH+]1CCSC[C@@H]1CO)c1ccccc1 ZINC000639554658 531695229 /nfs/dbraw/zinc/69/52/29/531695229.db2.gz CSFGDHZUPUFXTP-REPLKXPHSA-N 2 2 382.595 1.590 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417214071 531760126 /nfs/dbraw/zinc/76/01/26/531760126.db2.gz GQOPNRHJUKDASW-NEPJUHHUSA-N 2 2 378.274 1.848 20 0 GDADLP O=C(c1ccccc1I)N1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000592478110 531791281 /nfs/dbraw/zinc/79/12/81/531791281.db2.gz XPWQRAMHWWTVTM-ZDUSSCGKSA-N 2 2 399.276 1.659 20 0 GDADLP COc1cc(Br)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000563453516 531845661 /nfs/dbraw/zinc/84/56/61/531845661.db2.gz IGFQTGXWOWBNIV-SNVBAGLBSA-N 2 2 387.278 1.573 20 0 GDADLP COc1cc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])cc1OC ZINC000563453516 531845662 /nfs/dbraw/zinc/84/56/62/531845662.db2.gz IGFQTGXWOWBNIV-SNVBAGLBSA-N 2 2 387.278 1.573 20 0 GDADLP O=C1N[C@]2(CCC[NH2+]C2)C(=O)N1Cc1cn2cc(Br)ccc2[nH+]1 ZINC000571759331 531954758 /nfs/dbraw/zinc/95/47/58/531954758.db2.gz LUKKFDJZPKDZKK-HNNXBMFYSA-N 2 2 378.230 1.271 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573001362 531973184 /nfs/dbraw/zinc/97/31/84/531973184.db2.gz NGOKWQDRRBQMNG-GJZGRUSLSA-N 2 2 396.329 1.828 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573001362 531973189 /nfs/dbraw/zinc/97/31/89/531973189.db2.gz NGOKWQDRRBQMNG-GJZGRUSLSA-N 2 2 396.329 1.828 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573001361 531973723 /nfs/dbraw/zinc/97/37/23/531973723.db2.gz NGOKWQDRRBQMNG-CABCVRRESA-N 2 2 396.329 1.828 20 0 GDADLP CN(CCOc1ccc(Br)cc1)C(=O)C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000573001361 531973730 /nfs/dbraw/zinc/97/37/30/531973730.db2.gz NGOKWQDRRBQMNG-CABCVRRESA-N 2 2 396.329 1.828 20 0 GDADLP OC[C@H](C[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000423076914 532071041 /nfs/dbraw/zinc/07/10/41/532071041.db2.gz SBWUZGBILILQAT-WBAXXEDZSA-N 2 2 383.330 1.957 20 0 GDADLP C[C@H](C(=O)Nc1ccc(I)cc1)[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000603909551 532096334 /nfs/dbraw/zinc/09/63/34/532096334.db2.gz CKCFMCLKRDKJAH-IJLUTSLNSA-N 2 2 385.249 1.769 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939303 532258181 /nfs/dbraw/zinc/25/81/81/532258181.db2.gz KOUVCCHYMKOGQR-RYUDHWBXSA-N 2 2 388.921 1.198 20 0 GDADLP C[C@@H](C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430939303 532258186 /nfs/dbraw/zinc/25/81/86/532258186.db2.gz KOUVCCHYMKOGQR-RYUDHWBXSA-N 2 2 388.921 1.198 20 0 GDADLP COCC[C@@]1(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CC[NH2+]C1 ZINC000431068544 532259981 /nfs/dbraw/zinc/25/99/81/532259981.db2.gz YSEADOHAXSBHJQ-INIZCTEOSA-N 2 2 381.274 1.729 20 0 GDADLP CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852082 598974663 /nfs/dbraw/zinc/97/46/63/598974663.db2.gz NAMDPBSSSMJACW-KRWDZBQOSA-N 2 2 398.515 1.177 20 0 GDADLP CN(Cc1cccc(-c2nn[nH]n2)c1)C(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852082 598974665 /nfs/dbraw/zinc/97/46/65/598974665.db2.gz NAMDPBSSSMJACW-KRWDZBQOSA-N 2 2 398.515 1.177 20 0 GDADLP CC(C)(C)c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C(N)=O)c1ccc(-c3nn[nH]n3)cc1)C2 ZINC000735652808 599095118 /nfs/dbraw/zinc/09/51/18/599095118.db2.gz SDKSQMHJWHVNKH-RHSMWYFYSA-N 2 2 394.483 1.492 20 0 GDADLP C[NH+]1CCC([NH+]2CCC(Nc3ncc(-c4nn[nH]n4)cc3Cl)CC2)CC1 ZINC000736853667 598394024 /nfs/dbraw/zinc/39/40/24/598394024.db2.gz ZHQXPXQQDZSMAX-UHFFFAOYSA-N 2 2 376.896 1.886 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860792 598618609 /nfs/dbraw/zinc/61/86/09/598618609.db2.gz WLBCZIMGCIRAKF-GOSISDBHSA-N 2 2 385.516 1.347 20 0 GDADLP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860792 598618610 /nfs/dbraw/zinc/61/86/10/598618610.db2.gz WLBCZIMGCIRAKF-GOSISDBHSA-N 2 2 385.516 1.347 20 0 GDADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738289093 598620425 /nfs/dbraw/zinc/62/04/25/598620425.db2.gz GJRRJUROYCPBQM-QGZVFWFLSA-N 2 2 378.440 1.506 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860414 598624771 /nfs/dbraw/zinc/62/47/71/598624771.db2.gz POPGBPIFDSKOBG-GOSISDBHSA-N 2 2 383.500 1.385 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860414 598624772 /nfs/dbraw/zinc/62/47/72/598624772.db2.gz POPGBPIFDSKOBG-GOSISDBHSA-N 2 2 383.500 1.385 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860414 598624774 /nfs/dbraw/zinc/62/47/74/598624774.db2.gz POPGBPIFDSKOBG-GOSISDBHSA-N 2 2 383.500 1.385 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736860414 598624776 /nfs/dbraw/zinc/62/47/76/598624776.db2.gz POPGBPIFDSKOBG-GOSISDBHSA-N 2 2 383.500 1.385 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000822332842 606227063 /nfs/dbraw/zinc/22/70/63/606227063.db2.gz UMKAAXOIWJMXJU-YOEHRIQHSA-N 2 2 379.468 1.880 20 0 GDADLP COc1cc[nH+]c(N2CC[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821904572 606859094 /nfs/dbraw/zinc/85/90/94/606859094.db2.gz XHXRAOZUMCCJRW-QGZVFWFLSA-N 2 2 381.440 1.126 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826168429 608375324 /nfs/dbraw/zinc/37/53/24/608375324.db2.gz MMKDXSONVCHXQG-MAUKXSAKSA-N 2 2 385.516 1.333 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826168429 608375326 /nfs/dbraw/zinc/37/53/26/608375326.db2.gz MMKDXSONVCHXQG-MAUKXSAKSA-N 2 2 385.516 1.333 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824548530 609142142 /nfs/dbraw/zinc/14/21/42/609142142.db2.gz XNLGTXQFPLTREJ-ZDUSSCGKSA-N 2 2 389.479 1.599 20 0 GDADLP CS[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@H]1[NH+](C)C ZINC000537288946 650288616 /nfs/dbraw/zinc/28/86/16/650288616.db2.gz CHFXQYDDRIHYIZ-IAGOWNOFSA-N 2 2 382.599 1.370 20 0 GDADLP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000261941379 645119905 /nfs/dbraw/zinc/11/99/05/645119905.db2.gz UTOUPKNPNJIRPA-ZDUSSCGKSA-N 2 2 385.281 1.506 20 0 GDADLP O=C(C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000261941379 645119907 /nfs/dbraw/zinc/11/99/07/645119907.db2.gz UTOUPKNPNJIRPA-ZDUSSCGKSA-N 2 2 385.281 1.506 20 0 GDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1ccc(Br)cc1 ZINC000423076911 646112048 /nfs/dbraw/zinc/11/20/48/646112048.db2.gz SBWUZGBILILQAT-BMGDILEWSA-N 2 2 383.330 1.957 20 0 GDADLP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781347 647163826 /nfs/dbraw/zinc/16/38/26/647163826.db2.gz PFRJJXUHSLLELX-RYUDHWBXSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781347 647163829 /nfs/dbraw/zinc/16/38/29/647163829.db2.gz PFRJJXUHSLLELX-RYUDHWBXSA-N 2 2 383.290 1.173 20 0 GDADLP O=C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000479773839 647835849 /nfs/dbraw/zinc/83/58/49/647835849.db2.gz YUFCKLHZJLFQPJ-BETUJISGSA-N 2 2 384.311 1.188 20 0 GDADLP O=C(C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000479773839 647835853 /nfs/dbraw/zinc/83/58/53/647835853.db2.gz YUFCKLHZJLFQPJ-BETUJISGSA-N 2 2 384.311 1.188 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1)N1CCOCC1 ZINC000677236722 654663568 /nfs/dbraw/zinc/66/35/68/654663568.db2.gz UFIATWYDNNXKMA-LSDHHAIUSA-N 2 2 385.555 1.485 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1)N1CCOCC1 ZINC000677236722 654663571 /nfs/dbraw/zinc/66/35/71/654663571.db2.gz UFIATWYDNNXKMA-LSDHHAIUSA-N 2 2 385.555 1.485 20 0 GDADLP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000685915143 654831602 /nfs/dbraw/zinc/83/16/02/654831602.db2.gz XQPPYYACDPXNSC-NSHDSACASA-N 2 2 379.262 1.633 20 0 GDADLP C[N@@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2cc[nH+]cc2Br)C1 ZINC000685915143 654831606 /nfs/dbraw/zinc/83/16/06/654831606.db2.gz XQPPYYACDPXNSC-NSHDSACASA-N 2 2 379.262 1.633 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000792911481 655101445 /nfs/dbraw/zinc/10/14/45/655101445.db2.gz XCBDVMYBXFGJCE-HLLBOEOZSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000792911481 655101448 /nfs/dbraw/zinc/10/14/48/655101448.db2.gz XCBDVMYBXFGJCE-HLLBOEOZSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000792911481 655101449 /nfs/dbraw/zinc/10/14/49/655101449.db2.gz XCBDVMYBXFGJCE-HLLBOEOZSA-N 2 2 392.371 1.975 20 0 GDADLP CC(C)C[NH+]1CCO[C@H](CNC(=O)C[N@H+]2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)C1 ZINC000792911481 655101450 /nfs/dbraw/zinc/10/14/50/655101450.db2.gz XCBDVMYBXFGJCE-HLLBOEOZSA-N 2 2 392.371 1.975 20 0 GDADLP O[C@H](C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccccc1Br ZINC000819077863 655384710 /nfs/dbraw/zinc/38/47/10/655384710.db2.gz PMJNGOCRGGIVPX-MAUKXSAKSA-N 2 2 398.345 1.479 20 0 GDADLP COc1ncc(Br)cc1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000865456010 655920134 /nfs/dbraw/zinc/92/01/34/655920134.db2.gz HQPUOPPPKIVVHF-UHFFFAOYSA-N 2 2 399.333 1.885 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(=O)[nH]cc3Br)C2)CC1 ZINC000932621357 657203674 /nfs/dbraw/zinc/20/36/74/657203674.db2.gz HSYRFIMFBPITGE-NSHDSACASA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(=O)[nH]cc3Br)C2)CC1 ZINC000932621357 657203679 /nfs/dbraw/zinc/20/36/79/657203679.db2.gz HSYRFIMFBPITGE-NSHDSACASA-N 2 2 383.290 1.448 20 0 GDADLP O=S(=O)(C[C@@]12CC[N@@H+](C1)CCC2)N1CC[NH+](CCc2cccs2)CC1 ZINC000913963822 660107716 /nfs/dbraw/zinc/10/77/16/660107716.db2.gz MSCSNFYUZFSRMB-SFHVURJKSA-N 2 2 383.583 1.724 20 0 GDADLP Cc1noc([C@@H]2C[C@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3O2)n1 ZINC001164651886 719299671 /nfs/dbraw/zinc/29/96/71/719299671.db2.gz MQOGZVKJDKYKQH-IKGGRYGDSA-N 2 2 384.484 1.881 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)[nH+]1 ZINC001164746355 720601281 /nfs/dbraw/zinc/60/12/81/720601281.db2.gz XYQRWPUFCPTNIM-IRXDYDNUSA-N 2 2 381.484 1.517 20 0 GDADLP Cc1cc(N2CCCC2)nc(N2CC[N@H+]3C[C@@H](Oc4cncnc4)C[C@H]3C2)[nH+]1 ZINC001164746355 720601285 /nfs/dbraw/zinc/60/12/85/720601285.db2.gz XYQRWPUFCPTNIM-IRXDYDNUSA-N 2 2 381.484 1.517 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740724 720809891 /nfs/dbraw/zinc/80/98/91/720809891.db2.gz AGGAOVFEVXITIU-OKZBNKHCSA-N 2 2 382.516 1.514 20 0 GDADLP CN(C)c1cc(N2CC[C@@H]3[C@@H](C[C@@H](Cn4cncn4)[N@H+]3CC3CC3)C2)nc[nH+]1 ZINC001164740724 720809893 /nfs/dbraw/zinc/80/98/93/720809893.db2.gz AGGAOVFEVXITIU-OKZBNKHCSA-N 2 2 382.516 1.514 20 0 GDADLP Cc1cc(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc(C(C)(C)C)[nH+]1 ZINC001164754727 720965533 /nfs/dbraw/zinc/96/55/33/720965533.db2.gz VRNLVNOZUKAABC-UHFFFAOYSA-N 2 2 386.500 1.925 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164773400 721167045 /nfs/dbraw/zinc/16/70/45/721167045.db2.gz WYVXOMORPNJNEQ-ROUUACIJSA-N 3 2 396.543 1.096 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4nc(N5CCC([NH3+])CC5)cc[nH+]4)C[C@@H]3C2)cn1 ZINC001164773400 721167052 /nfs/dbraw/zinc/16/70/52/721167052.db2.gz WYVXOMORPNJNEQ-ROUUACIJSA-N 3 2 396.543 1.096 20 0 GDADLP C[NH+]1CCN(c2ccc(N3CC[NH+](CCOc4ccccc4)CC3)nn2)CC1 ZINC001165041988 721952927 /nfs/dbraw/zinc/95/29/27/721952927.db2.gz GHBQVKBEGBUUAF-UHFFFAOYSA-N 2 2 382.512 1.429 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736706443 944876164 /nfs/dbraw/zinc/87/61/64/944876164.db2.gz SQJDBULCSFONFH-KRWDZBQOSA-N 2 2 394.483 1.579 20 0 GDADLP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736706443 944876174 /nfs/dbraw/zinc/87/61/74/944876174.db2.gz SQJDBULCSFONFH-KRWDZBQOSA-N 2 2 394.483 1.579 20 0 GDADLP C[N@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029799 947409084 /nfs/dbraw/zinc/40/90/84/947409084.db2.gz XAYMPAOKCNZMLL-CRAIPNDOSA-N 2 2 383.500 1.636 20 0 GDADLP C[N@@H+](C[C@@H]1CCC[NH+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029799 947409089 /nfs/dbraw/zinc/40/90/89/947409089.db2.gz XAYMPAOKCNZMLL-CRAIPNDOSA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029799 947409096 /nfs/dbraw/zinc/40/90/96/947409096.db2.gz XAYMPAOKCNZMLL-CRAIPNDOSA-N 2 2 383.500 1.636 20 0 GDADLP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CCCN(c2ccc(-c3nn[nH]n3)cc2)C1=O ZINC000826029799 947409103 /nfs/dbraw/zinc/40/91/03/947409103.db2.gz XAYMPAOKCNZMLL-CRAIPNDOSA-N 2 2 383.500 1.636 20 0 GDADLP CC(C)(C)[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cn1cc[nH+]c1 ZINC001573810910 949583126 /nfs/dbraw/zinc/58/31/26/949583126.db2.gz FQQYHRWHMNJMEB-MRXNPFEDSA-N 2 2 382.472 1.384 20 0 GDADLP C[C@H]1[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907359 950329301 /nfs/dbraw/zinc/32/93/01/950329301.db2.gz NOFLZCPXVIVJFZ-ZBEGNZNMSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574509638 950520167 /nfs/dbraw/zinc/52/01/67/950520167.db2.gz UKMNPLYHKMJPBS-LSDHHAIUSA-N 2 2 382.472 1.699 20 0 GDADLP C[C@H](CNC(=O)C[C@@H](C)n1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105459 951894047 /nfs/dbraw/zinc/89/40/47/951894047.db2.gz JYRWKSVACVEHHQ-LSDHHAIUSA-N 2 2 382.472 1.556 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001575202431 952513458 /nfs/dbraw/zinc/51/34/58/952513458.db2.gz NPVMIERNGBPLMS-PMUMKWKESA-N 2 2 394.483 1.405 20 0 GDADLP C[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1 ZINC001575202596 952514056 /nfs/dbraw/zinc/51/40/56/952514056.db2.gz WEIXIVWGFWYEHO-YUELXQCFSA-N 2 2 380.456 1.205 20 0 GDADLP C[C@H]1CN(C(=O)Cc2[nH]cc[nH+]2)CC[C@@H]1[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571166718 952763674 /nfs/dbraw/zinc/76/36/74/952763674.db2.gz OZACGJOWYHOWRG-BBRMVZONSA-N 2 2 380.456 1.159 20 0 GDADLP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252938 953333560 /nfs/dbraw/zinc/33/35/60/953333560.db2.gz ZKRXAZCRCBPYKD-WMLDXEAASA-N 2 2 384.488 1.173 20 0 GDADLP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252938 953333563 /nfs/dbraw/zinc/33/35/63/953333563.db2.gz ZKRXAZCRCBPYKD-WMLDXEAASA-N 2 2 384.488 1.173 20 0 GDADLP Cc1nn(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1Br ZINC000261768532 531098318 /nfs/dbraw/zinc/09/83/18/531098318.db2.gz DNGYPKDKVYHADE-ZDUSSCGKSA-N 2 2 384.322 1.135 20 0 GDADLP Cc1nn(C)c(C[N@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1Br ZINC000261768532 531098319 /nfs/dbraw/zinc/09/83/19/531098319.db2.gz DNGYPKDKVYHADE-ZDUSSCGKSA-N 2 2 384.322 1.135 20 0 GDADLP Cn1ncc(Br)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880931 531101682 /nfs/dbraw/zinc/10/16/82/531101682.db2.gz MLJCAILIUCDLNS-JSGCOSHPSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1ncc(Br)c1C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261880931 531101685 /nfs/dbraw/zinc/10/16/85/531101685.db2.gz MLJCAILIUCDLNS-JSGCOSHPSA-N 2 2 384.322 1.263 20 0 GDADLP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709816 531234611 /nfs/dbraw/zinc/23/46/11/531234611.db2.gz GMKRZWVPPOGTGA-HIFRSBDPSA-N 2 2 399.333 1.807 20 0 GDADLP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709816 531234616 /nfs/dbraw/zinc/23/46/16/531234616.db2.gz GMKRZWVPPOGTGA-HIFRSBDPSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709816 531234619 /nfs/dbraw/zinc/23/46/19/531234619.db2.gz GMKRZWVPPOGTGA-HIFRSBDPSA-N 2 2 399.333 1.807 20 0 GDADLP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000520709816 531234621 /nfs/dbraw/zinc/23/46/21/531234621.db2.gz GMKRZWVPPOGTGA-HIFRSBDPSA-N 2 2 399.333 1.807 20 0 GDADLP C[C@@H]1C[NH+]=C(N2CC[NH+](CCC(=O)Nc3sccc3C(N)=O)CC2)S1 ZINC000267038392 531390628 /nfs/dbraw/zinc/39/06/28/531390628.db2.gz GUDKEIBMEDEMBG-LLVKDONJSA-N 2 2 381.527 1.285 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2c[nH+]c(N(C)C)n2C)s1 ZINC000414310638 531439342 /nfs/dbraw/zinc/43/93/42/531439342.db2.gz WTKATMHQFOWWJK-UHFFFAOYSA-N 2 2 385.559 1.868 20 0 GDADLP Cc1nn(C)c(C[NH2+]C[C@@H]2C[C@H](F)CN2Cc2[nH+]ccn2C)c1Br ZINC000280009960 531466866 /nfs/dbraw/zinc/46/68/66/531466866.db2.gz UHUXYDKRBULNLY-STQMWFEESA-N 2 2 399.312 1.927 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583332984 531571925 /nfs/dbraw/zinc/57/19/25/531571925.db2.gz BBJBYVFJRWFXAN-GLQYFDAESA-N 2 2 383.279 1.343 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])[nH+]c12 ZINC000583983997 531605911 /nfs/dbraw/zinc/60/59/11/531605911.db2.gz LIBLRBJDCURKNC-AWEZNQCLSA-N 2 2 395.305 1.190 20 0 GDADLP C[N@@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000561159732 531683836 /nfs/dbraw/zinc/68/38/36/531683836.db2.gz YNMAUTDJODKMAG-UONOGXRCSA-N 2 2 396.333 1.312 20 0 GDADLP C[N@H+]1CCN(C(=O)N[C@H]2CCN(c3ccccc3Br)C2)[C@H](C[NH3+])C1 ZINC000561159732 531683843 /nfs/dbraw/zinc/68/38/43/531683843.db2.gz YNMAUTDJODKMAG-UONOGXRCSA-N 2 2 396.333 1.312 20 0 GDADLP CS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641786912 531853070 /nfs/dbraw/zinc/85/30/70/531853070.db2.gz LJRUSOIFSKARKL-HNNXBMFYSA-N 2 2 387.571 1.038 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563440116 531843297 /nfs/dbraw/zinc/84/32/97/531843297.db2.gz HNXPUOBKZAMOFG-CABCVRRESA-N 2 2 385.295 1.196 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[N@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000563440116 531843310 /nfs/dbraw/zinc/84/33/10/531843310.db2.gz HNXPUOBKZAMOFG-CABCVRRESA-N 2 2 385.295 1.196 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)[C@H](C[NH3+])C1 ZINC000563610463 531856864 /nfs/dbraw/zinc/85/68/64/531856864.db2.gz HXHVZBMENSBOTD-CQSZACIVSA-N 2 2 380.290 1.715 20 0 GDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c(F)c1F ZINC000624873111 531863440 /nfs/dbraw/zinc/86/34/40/531863440.db2.gz OIFOCNOKHKOMQW-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP Cc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c(F)c1F ZINC000624873111 531863451 /nfs/dbraw/zinc/86/34/51/531863451.db2.gz OIFOCNOKHKOMQW-UHFFFAOYSA-N 2 2 375.485 1.920 20 0 GDADLP C[C@H](CSCCF)[NH2+]Cc1ccccc1S(=O)(=O)N1CC[NH+](C)CC1 ZINC000595011187 531865342 /nfs/dbraw/zinc/86/53/42/531865342.db2.gz YGPWBARTHGPKOJ-OAHLLOKOSA-N 2 2 389.562 1.804 20 0 GDADLP COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000571056266 531947706 /nfs/dbraw/zinc/94/77/06/531947706.db2.gz ZVSGQYLLLHDZMP-LLVKDONJSA-N 2 2 385.262 1.342 20 0 GDADLP COC(=O)c1cc(Br)ccc1NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000571056266 531947712 /nfs/dbraw/zinc/94/77/12/531947712.db2.gz ZVSGQYLLLHDZMP-LLVKDONJSA-N 2 2 385.262 1.342 20 0 GDADLP COCCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631061285 531998052 /nfs/dbraw/zinc/99/80/52/531998052.db2.gz OSKBVTFBVIFXEL-UHFFFAOYSA-N 2 2 375.922 1.578 20 0 GDADLP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000271298160 531999635 /nfs/dbraw/zinc/99/96/35/531999635.db2.gz OECZHTRQNXUJIX-AWEZNQCLSA-N 2 2 387.571 1.640 20 0 GDADLP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(S(C)(=O)=O)cs1 ZINC000271298160 531999640 /nfs/dbraw/zinc/99/96/40/531999640.db2.gz OECZHTRQNXUJIX-AWEZNQCLSA-N 2 2 387.571 1.640 20 0 GDADLP O=S(=O)(C[C@@H](O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1cccs1 ZINC000657416526 532004866 /nfs/dbraw/zinc/00/48/66/532004866.db2.gz VEBFSNNHCFERJV-HNNXBMFYSA-N 2 2 378.479 1.253 20 0 GDADLP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(I)cc1 ZINC000576704467 532026787 /nfs/dbraw/zinc/02/67/87/532026787.db2.gz SJULGUYYHYRWQD-RYUDHWBXSA-N 2 2 385.249 1.771 20 0 GDADLP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(I)cc1 ZINC000576704467 532026793 /nfs/dbraw/zinc/02/67/93/532026793.db2.gz SJULGUYYHYRWQD-RYUDHWBXSA-N 2 2 385.249 1.771 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000634698397 532055111 /nfs/dbraw/zinc/05/51/11/532055111.db2.gz KNTHRDSZYLTUTK-QGZVFWFLSA-N 2 2 381.523 1.122 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)s1 ZINC000634698397 532055116 /nfs/dbraw/zinc/05/51/16/532055116.db2.gz KNTHRDSZYLTUTK-QGZVFWFLSA-N 2 2 381.523 1.122 20 0 GDADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422856742 532067343 /nfs/dbraw/zinc/06/73/43/532067343.db2.gz GASKDXRVHZFFHY-SJORKVTESA-N 2 2 396.329 1.926 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1cccc(Br)c1 ZINC000422859839 532067374 /nfs/dbraw/zinc/06/73/74/532067374.db2.gz KYLVNPXRIATVNW-XJKSGUPXSA-N 2 2 384.318 1.926 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882578 532069471 /nfs/dbraw/zinc/06/94/71/532069471.db2.gz SQFSFWBQSBJGBB-CZUORRHYSA-N 2 2 384.318 1.926 20 0 GDADLP C[C@@H]([NH2+]C[C@H](O)COc1ccc(I)cc1)[C@H]1CCC[NH2+]1 ZINC000422910078 532069935 /nfs/dbraw/zinc/06/99/35/532069935.db2.gz PPYSQQLHCRDVJG-OSAQELSMSA-N 2 2 390.265 1.761 20 0 GDADLP O=C(NCCC[NH2+][C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422879521 532068240 /nfs/dbraw/zinc/06/82/40/532068240.db2.gz MGUWZBXGNGLERN-IRXDYDNUSA-N 2 2 396.329 1.926 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423109597 532071731 /nfs/dbraw/zinc/07/17/31/532071731.db2.gz NWSZYTVUMYKDFV-DOTOQJQBSA-N 2 2 387.933 1.283 20 0 GDADLP Cc1nc2sccn2c(=O)c1CC[NH+]1CCN(C2=[NH+]C[C@@H](C)S2)CC1 ZINC000285363802 532073319 /nfs/dbraw/zinc/07/33/19/532073319.db2.gz BQDGDJFSCKZTIY-GFCCVEGCSA-N 2 2 377.539 1.716 20 0 GDADLP Cc1[nH]c(=O)c(Br)cc1C(=O)NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000287419104 532214986 /nfs/dbraw/zinc/21/49/86/532214986.db2.gz JZFKMUXLURQMNH-UHFFFAOYSA-N 2 2 385.306 1.614 20 0 GDADLP CC1(C)C[NH+](CCS(=O)(=O)CC[N@@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377230408 532249495 /nfs/dbraw/zinc/24/94/95/532249495.db2.gz AYHVHCIHXZEGBO-UHFFFAOYSA-N 2 2 376.563 1.403 20 0 GDADLP CC1(C)C[NH+](CCS(=O)(=O)CC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377230408 532249498 /nfs/dbraw/zinc/24/94/98/532249498.db2.gz AYHVHCIHXZEGBO-UHFFFAOYSA-N 2 2 376.563 1.403 20 0 GDADLP CC(C)[C@](C)(C[NH3+])[NH2+]CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000430574974 532251637 /nfs/dbraw/zinc/25/16/37/532251637.db2.gz JMLNPQZXIYTROQ-INIZCTEOSA-N 2 2 390.937 1.492 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000738432762 598963283 /nfs/dbraw/zinc/96/32/83/598963283.db2.gz LNAIJCMBPCVLQP-IAGOWNOFSA-N 2 2 393.499 1.359 20 0 GDADLP c1nn2c(c1-c1nn[nH]n1)NC[C@@H](C[NH2+]C[C@H]1CCC[N@H+]1Cc1ccccc1)C2 ZINC000738432762 598963285 /nfs/dbraw/zinc/96/32/85/598963285.db2.gz LNAIJCMBPCVLQP-IAGOWNOFSA-N 2 2 393.499 1.359 20 0 GDADLP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392724 599011334 /nfs/dbraw/zinc/01/13/34/599011334.db2.gz GXFSTZODYQQGAC-WOJBJXKFSA-N 2 2 378.480 1.839 20 0 GDADLP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738392724 599011336 /nfs/dbraw/zinc/01/13/36/599011336.db2.gz GXFSTZODYQQGAC-WOJBJXKFSA-N 2 2 378.480 1.839 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737498051 598355395 /nfs/dbraw/zinc/35/53/95/598355395.db2.gz CJAIICPQVCMQJK-QGZVFWFLSA-N 2 2 380.456 1.325 20 0 GDADLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000737498051 598355396 /nfs/dbraw/zinc/35/53/96/598355396.db2.gz CJAIICPQVCMQJK-QGZVFWFLSA-N 2 2 380.456 1.325 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736852899 598742825 /nfs/dbraw/zinc/74/28/25/598742825.db2.gz SDYBEOZEEIRHCU-DVBCCOPCSA-N 2 2 395.511 1.507 20 0 GDADLP CN(C(=O)C=Cc1ccccc1-c1nn[nH]n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736852899 598742826 /nfs/dbraw/zinc/74/28/26/598742826.db2.gz SDYBEOZEEIRHCU-DVBCCOPCSA-N 2 2 395.511 1.507 20 0 GDADLP CC[C@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3c(C)cc(C)cc32)CC1 ZINC000736382128 599320499 /nfs/dbraw/zinc/32/04/99/599320499.db2.gz KXDLQQUIAHVMNV-HNNXBMFYSA-N 2 2 381.484 1.925 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476928 606321975 /nfs/dbraw/zinc/32/19/75/606321975.db2.gz AHROXSCTSPHPSO-DZGCQCFKSA-N 2 2 398.496 1.876 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)C1 ZINC000822476928 606321976 /nfs/dbraw/zinc/32/19/76/606321976.db2.gz AHROXSCTSPHPSO-DZGCQCFKSA-N 2 2 398.496 1.876 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNc2nc(C(F)(F)F)ccc2-c2nn[nH]n2)CC1 ZINC000821583224 606402860 /nfs/dbraw/zinc/40/28/60/606402860.db2.gz NAHHKTSAULRXEO-UHFFFAOYSA-N 2 2 384.410 1.718 20 0 GDADLP C[NH+]1CCC(CNC(=O)Cc2cccc(-c3nn[nH]n3)c2)([NH+]2CCCCC2)CC1 ZINC000821622213 606574080 /nfs/dbraw/zinc/57/40/80/606574080.db2.gz WMTGSGNRDIUSDP-UHFFFAOYSA-N 2 2 397.527 1.476 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477102 606617578 /nfs/dbraw/zinc/61/75/78/606617578.db2.gz GIKFPZQLQOGPOX-SJORKVTESA-N 2 2 383.456 1.276 20 0 GDADLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)COc1ccc(-c2nn[nH]n2)cc1 ZINC000822477102 606617580 /nfs/dbraw/zinc/61/75/80/606617580.db2.gz GIKFPZQLQOGPOX-SJORKVTESA-N 2 2 383.456 1.276 20 0 GDADLP C[N@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000821601573 606702368 /nfs/dbraw/zinc/70/23/68/606702368.db2.gz OQYLRMMKJNVNRL-UHFFFAOYSA-N 2 2 378.444 1.422 20 0 GDADLP C[N@@H+](CCCc1[nH]nc(N)c1-c1nn[nH]n1)Cc1ccc(-n2cc[nH+]c2)cc1 ZINC000821601573 606702369 /nfs/dbraw/zinc/70/23/69/606702369.db2.gz OQYLRMMKJNVNRL-UHFFFAOYSA-N 2 2 378.444 1.422 20 0 GDADLP C[C@@H]1CC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000820722122 607098137 /nfs/dbraw/zinc/09/81/37/607098137.db2.gz FXAZBDZBZNEFNC-OLMNPRSZSA-N 2 2 392.467 1.752 20 0 GDADLP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C[C@@H]1n1cc[nH+]c1 ZINC000820722122 607098139 /nfs/dbraw/zinc/09/81/39/607098139.db2.gz FXAZBDZBZNEFNC-OLMNPRSZSA-N 2 2 392.467 1.752 20 0 GDADLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826363883 607889644 /nfs/dbraw/zinc/88/96/44/607889644.db2.gz DZOATUUFGNZBCI-INIZCTEOSA-N 2 2 375.440 1.911 20 0 GDADLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cn2ccc(-c3ccc(-c4nn[nH]n4)cc3)n2)C1 ZINC000826363883 607889645 /nfs/dbraw/zinc/88/96/45/607889645.db2.gz DZOATUUFGNZBCI-INIZCTEOSA-N 2 2 375.440 1.911 20 0 GDADLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363874 608079363 /nfs/dbraw/zinc/07/93/63/608079363.db2.gz DVHSFCMVBODHCB-CQSZACIVSA-N 2 2 377.412 1.640 20 0 GDADLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2nnc(-c3ccc(-c4nn[nH]n4)cc3)o2)C1 ZINC000826363874 608079364 /nfs/dbraw/zinc/07/93/64/608079364.db2.gz DVHSFCMVBODHCB-CQSZACIVSA-N 2 2 377.412 1.640 20 0 GDADLP C[C@H]1C[N@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985177 608170854 /nfs/dbraw/zinc/17/08/54/608170854.db2.gz SNAJRFKOIINIPP-LPHOPBHVSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@@H+](CCOc2ccc(-c3nn[nH]n3)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985177 608170857 /nfs/dbraw/zinc/17/08/57/608170857.db2.gz SNAJRFKOIINIPP-LPHOPBHVSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985164 608170935 /nfs/dbraw/zinc/17/09/35/608170935.db2.gz SGNKTABYOOIHHY-SJLPKXTDSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000824985164 608170937 /nfs/dbraw/zinc/17/09/37/608170937.db2.gz SGNKTABYOOIHHY-SJLPKXTDSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984739 608170972 /nfs/dbraw/zinc/17/09/72/608170972.db2.gz NDOFNXHFJNQSFA-APWZRJJASA-N 2 2 385.516 1.203 20 0 GDADLP C[C@@H]1C[N@@H+](CCOc2cccc(-c3nn[nH]n3)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824984739 608170973 /nfs/dbraw/zinc/17/09/73/608170973.db2.gz NDOFNXHFJNQSFA-APWZRJJASA-N 2 2 385.516 1.203 20 0 GDADLP Cc1[nH+]ccn1CC[NH+]1CCC(C(=O)Nc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000826331361 608254049 /nfs/dbraw/zinc/25/40/49/608254049.db2.gz FBJGYKUWAIEMKK-UHFFFAOYSA-N 2 2 380.456 1.722 20 0 GDADLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826330737 608454024 /nfs/dbraw/zinc/45/40/24/608454024.db2.gz GLXSVZABGYJZRY-UHFFFAOYSA-N 2 2 379.428 1.944 20 0 GDADLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nnc(-c2cccc(-c3nn[nH]n3)c2)o1 ZINC000826330737 608454025 /nfs/dbraw/zinc/45/40/25/608454025.db2.gz GLXSVZABGYJZRY-UHFFFAOYSA-N 2 2 379.428 1.944 20 0 GDADLP Cc1n[nH]c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)c1Br ZINC000050797217 644405341 /nfs/dbraw/zinc/40/53/41/644405341.db2.gz CTZDHTKIXQPSHT-UHFFFAOYSA-N 2 2 384.322 1.769 20 0 GDADLP C[NH+](C)Cc1cnc(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)s1 ZINC000511938781 648392043 /nfs/dbraw/zinc/39/20/43/648392043.db2.gz DNIMHDSYKVGZAK-UHFFFAOYSA-N 2 2 384.527 1.745 20 0 GDADLP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2COc3cc(F)c(Br)cc32)CC1 ZINC000574513546 651548295 /nfs/dbraw/zinc/54/82/95/651548295.db2.gz TZEXKBZJMSLVFD-IAQYHMDHSA-N 2 2 388.281 1.220 20 0 GDADLP Cc1c(Br)cc(C(=O)NCC[N@H+](C)CCC[NH+](C)C)c(=O)n1C ZINC000617764207 652976371 /nfs/dbraw/zinc/97/63/71/652976371.db2.gz MUIBGWHEMHWTBX-UHFFFAOYSA-N 2 2 387.322 1.070 20 0 GDADLP Cc1c(Br)cc(C(=O)NCC[N@@H+](C)CCC[NH+](C)C)c(=O)n1C ZINC000617764207 652976372 /nfs/dbraw/zinc/97/63/72/652976372.db2.gz MUIBGWHEMHWTBX-UHFFFAOYSA-N 2 2 387.322 1.070 20 0 GDADLP O=C1Nc2ccc(Br)cc2CC[C@H]1[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000629531757 653169137 /nfs/dbraw/zinc/16/91/37/653169137.db2.gz XFIIJJIWBIRNTQ-DOTOQJQBSA-N 2 2 393.329 1.682 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000629606188 653177465 /nfs/dbraw/zinc/17/74/65/653177465.db2.gz OVTMOEHZQNFQHZ-ZFWWWQNUSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1cc(Cl)ccc1Cl ZINC000629606188 653177470 /nfs/dbraw/zinc/17/74/70/653177470.db2.gz OVTMOEHZQNFQHZ-ZFWWWQNUSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000629609942 653177779 /nfs/dbraw/zinc/17/77/79/653177779.db2.gz XXVYSDPLRXVBML-WFASDCNBSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1c(Cl)cccc1Cl ZINC000629609942 653177783 /nfs/dbraw/zinc/17/77/83/653177783.db2.gz XXVYSDPLRXVBML-WFASDCNBSA-N 2 2 390.311 1.663 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000631928787 653273300 /nfs/dbraw/zinc/27/33/00/653273300.db2.gz NMTMDUNESXYSDI-IAGOWNOFSA-N 2 2 386.949 1.603 20 0 GDADLP CN(C1CC[NH2+]CC1)S(=O)(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000631928787 653273301 /nfs/dbraw/zinc/27/33/01/653273301.db2.gz NMTMDUNESXYSDI-IAGOWNOFSA-N 2 2 386.949 1.603 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278961 653666438 /nfs/dbraw/zinc/66/64/38/653666438.db2.gz OVYPGYQRHZZMQY-FUHWJXTLSA-N 2 2 396.329 1.946 20 0 GDADLP Cn1ccnc1[C@H]1C[NH2+]CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659308755 654221310 /nfs/dbraw/zinc/22/13/10/654221310.db2.gz DYNZMCTVDOJANM-SNVBAGLBSA-N 2 2 396.314 1.634 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662260373 654291224 /nfs/dbraw/zinc/29/12/24/654291224.db2.gz KPXTXOHOCZCLGW-OCCSQVGLSA-N 2 2 383.290 1.483 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662260373 654291227 /nfs/dbraw/zinc/29/12/27/654291227.db2.gz KPXTXOHOCZCLGW-OCCSQVGLSA-N 2 2 383.290 1.483 20 0 GDADLP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662494069 654297051 /nfs/dbraw/zinc/29/70/51/654297051.db2.gz VQXRIECLHLZYGQ-RHSMWYFYSA-N 2 2 397.361 1.839 20 0 GDADLP COC1CC[NH+](CCNC(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662492020 654297092 /nfs/dbraw/zinc/29/70/92/654297092.db2.gz DFMOXLALAHMBAN-UHFFFAOYSA-N 2 2 388.331 1.954 20 0 GDADLP CCn1ncc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874460792 656471853 /nfs/dbraw/zinc/47/18/53/656471853.db2.gz ZSWUKCBVZLTSPF-CQSZACIVSA-N 2 2 398.349 1.906 20 0 GDADLP CCn1ncc(C(=O)N(C)[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1Br ZINC000874460792 656471855 /nfs/dbraw/zinc/47/18/55/656471855.db2.gz ZSWUKCBVZLTSPF-CQSZACIVSA-N 2 2 398.349 1.906 20 0 GDADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923448288 656553601 /nfs/dbraw/zinc/55/36/01/656553601.db2.gz BCZLSIKZHBKHBB-GJZGRUSLSA-N 2 2 382.302 1.805 20 0 GDADLP CC[NH+]1CCC([N@H+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929781332 656984442 /nfs/dbraw/zinc/98/44/42/656984442.db2.gz VUVPAECCJXFCLB-MRXNPFEDSA-N 2 2 375.579 1.404 20 0 GDADLP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929781332 656984444 /nfs/dbraw/zinc/98/44/44/656984444.db2.gz VUVPAECCJXFCLB-MRXNPFEDSA-N 2 2 375.579 1.404 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)C1(n2cc(Br)cn2)CC1 ZINC000932713625 657213074 /nfs/dbraw/zinc/21/30/74/657213074.db2.gz PQIVGGKSAXSCNY-UHFFFAOYSA-N 2 2 398.349 1.619 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)C1(n2cc(Br)cn2)CC1 ZINC000932713625 657213078 /nfs/dbraw/zinc/21/30/78/657213078.db2.gz PQIVGGKSAXSCNY-UHFFFAOYSA-N 2 2 398.349 1.619 20 0 GDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164689340 719749294 /nfs/dbraw/zinc/74/92/94/719749294.db2.gz BOCKRXBVOSRIBG-UHFFFAOYSA-N 2 2 390.557 1.211 20 0 GDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCSCC3)[nH+]cn1)CC2 ZINC001164689340 719749299 /nfs/dbraw/zinc/74/92/99/719749299.db2.gz BOCKRXBVOSRIBG-UHFFFAOYSA-N 2 2 390.557 1.211 20 0 GDADLP Cc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)c2c([nH+]1)CCC2 ZINC001164714027 720192997 /nfs/dbraw/zinc/19/29/97/720192997.db2.gz FTNXXCBQJLIYAW-LJQANCHMSA-N 2 2 397.527 1.618 20 0 GDADLP CC(C)[N@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH+]cnc3c1ccn3C)CCC2 ZINC001164811683 720214846 /nfs/dbraw/zinc/21/48/46/720214846.db2.gz JSKBFOYHFUQDAH-UHFFFAOYSA-N 2 2 381.484 1.776 20 0 GDADLP CC(C)[N@@H+](C)Cc1cc(=O)n2c(n1)CN(c1[nH+]cnc3c1ccn3C)CCC2 ZINC001164811683 720214854 /nfs/dbraw/zinc/21/48/54/720214854.db2.gz JSKBFOYHFUQDAH-UHFFFAOYSA-N 2 2 381.484 1.776 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4CN(Cc5ccncc5)C(=O)[C@H]4C3)[nH+]2)CC1 ZINC001164848491 720811923 /nfs/dbraw/zinc/81/19/23/720811923.db2.gz CTNWFLAZXVWJPK-MOPGFXCFSA-N 2 2 392.507 1.323 20 0 GDADLP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294482 946136195 /nfs/dbraw/zinc/13/61/95/946136195.db2.gz HJFQIESLHLQBPP-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP C[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294482 946136201 /nfs/dbraw/zinc/13/62/01/946136201.db2.gz HJFQIESLHLQBPP-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294482 946136208 /nfs/dbraw/zinc/13/62/08/946136208.db2.gz HJFQIESLHLQBPP-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP C[NH+]1CCCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571294482 946136212 /nfs/dbraw/zinc/13/62/12/946136212.db2.gz HJFQIESLHLQBPP-ZFWWWQNUSA-N 2 2 389.529 1.493 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316520 946579590 /nfs/dbraw/zinc/57/95/90/946579590.db2.gz FMPPAGCFRMYRSL-BRWVUGGUSA-N 2 2 392.467 1.094 20 0 GDADLP Cn1c[nH+]cc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316520 946579597 /nfs/dbraw/zinc/57/95/97/946579597.db2.gz FMPPAGCFRMYRSL-BRWVUGGUSA-N 2 2 392.467 1.094 20 0 GDADLP O=C([C@H]1CCn2cc[nH+]c2C1)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC001571316902 946592088 /nfs/dbraw/zinc/59/20/88/946592088.db2.gz PLRYEYPHQCKZTA-IRXDYDNUSA-N 2 2 392.467 1.016 20 0 GDADLP C[C@@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(=O)NC(C)(C)C ZINC000824547010 946788500 /nfs/dbraw/zinc/78/85/00/946788500.db2.gz MFAZESWZEJWIQU-CQSZACIVSA-N 2 2 385.516 1.724 20 0 GDADLP O=C1[C@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476995 948385254 /nfs/dbraw/zinc/38/52/54/948385254.db2.gz SXRQKIFNBUPZKB-GOSISDBHSA-N 2 2 392.467 1.896 20 0 GDADLP O=C1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CN1C1CC1 ZINC000826478890 948389538 /nfs/dbraw/zinc/38/95/38/948389538.db2.gz LLQOHNGRPDSUKN-QGZVFWFLSA-N 2 2 381.484 1.184 20 0 GDADLP CC(C)(C(=O)N[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)[NH+]1CCCCC1 ZINC001573775076 949030495 /nfs/dbraw/zinc/03/04/95/949030495.db2.gz YTECSRABGLHNLU-CQSZACIVSA-N 2 2 384.488 1.221 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263452 949396902 /nfs/dbraw/zinc/39/69/02/949396902.db2.gz HCLAVNZABWCKJZ-YVEFUNNKSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575263452 949396925 /nfs/dbraw/zinc/39/69/25/949396925.db2.gz HCLAVNZABWCKJZ-YVEFUNNKSA-N 2 2 387.463 1.037 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575285272 949944227 /nfs/dbraw/zinc/94/42/27/949944227.db2.gz MFKNIBNHLFXYPN-ZDUSSCGKSA-N 2 2 389.479 1.283 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575285272 949944249 /nfs/dbraw/zinc/94/42/49/949944249.db2.gz MFKNIBNHLFXYPN-ZDUSSCGKSA-N 2 2 389.479 1.283 20 0 GDADLP C[C@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)C1 ZINC001575286680 949986489 /nfs/dbraw/zinc/98/64/89/949986489.db2.gz XMANOYNGVINOJJ-ZDUSSCGKSA-N 2 2 387.463 1.038 20 0 GDADLP CC(C)(C)CC(=O)NCC[NH+]1CCC(Nc2cc[nH+]cc2-c2nn[nH]n2)CC1 ZINC001573839321 950130655 /nfs/dbraw/zinc/13/06/55/950130655.db2.gz QLKXOOYZBAVYDY-UHFFFAOYSA-N 2 2 386.504 1.112 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197155 950386629 /nfs/dbraw/zinc/38/66/29/950386629.db2.gz LDJUPAGTQSSDQV-CQSZACIVSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N2CCC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197155 950386651 /nfs/dbraw/zinc/38/66/51/950386651.db2.gz LDJUPAGTQSSDQV-CQSZACIVSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197155 950386671 /nfs/dbraw/zinc/38/66/71/950386671.db2.gz LDJUPAGTQSSDQV-CQSZACIVSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)s3)CC2)C1 ZINC001576197155 950386693 /nfs/dbraw/zinc/38/66/93/950386693.db2.gz LDJUPAGTQSSDQV-CQSZACIVSA-N 2 2 389.529 1.304 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203254 950438960 /nfs/dbraw/zinc/43/89/60/950438960.db2.gz FUBFDCBSXHWNHN-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203254 950438975 /nfs/dbraw/zinc/43/89/75/950438975.db2.gz FUBFDCBSXHWNHN-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203254 950438987 /nfs/dbraw/zinc/43/89/87/950438987.db2.gz FUBFDCBSXHWNHN-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)c(F)c3)C2)C1 ZINC001576203254 950438999 /nfs/dbraw/zinc/43/89/99/950438999.db2.gz FUBFDCBSXHWNHN-HIFRSBDPSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205215 950499997 /nfs/dbraw/zinc/49/99/97/950499997.db2.gz HIBPIERFVXJQAU-HUUCEWRRSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H]2CCCCN2c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001576205215 950500008 /nfs/dbraw/zinc/50/00/08/950500008.db2.gz HIBPIERFVXJQAU-HUUCEWRRSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@H](C[NH2+]Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001574512992 950592307 /nfs/dbraw/zinc/59/23/07/950592307.db2.gz FWHMKHLLWATDMI-CHWSQXEVSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CCN1c1cc[nH+]cc1-c1nn[nH]n1 ZINC001576207748 950598983 /nfs/dbraw/zinc/59/89/83/950598983.db2.gz JCJMULJRCRFPHX-ZBFHGGJFSA-N 2 2 384.488 1.077 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575093841 951802382 /nfs/dbraw/zinc/80/23/82/951802382.db2.gz LDPGLZZAQUBLCS-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575107172 951914905 /nfs/dbraw/zinc/91/49/05/951914905.db2.gz ALYINPPHODRVHX-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)C(C)(C)c1c[nH+]c[nH]1 ZINC001575109221 951928278 /nfs/dbraw/zinc/92/82/78/951928278.db2.gz PQFYVLYLXJYNOG-ZDUSSCGKSA-N 2 2 382.472 1.504 20 0 GDADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001575113742 951945717 /nfs/dbraw/zinc/94/57/17/951945717.db2.gz FGFMQIUWLUUKIS-GJZGRUSLSA-N 2 2 382.472 1.556 20 0 GDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165668 952753132 /nfs/dbraw/zinc/75/31/32/952753132.db2.gz HKJIGMRTBNZHFX-CZUORRHYSA-N 2 2 380.456 1.017 20 0 GDADLP Cc1cc(C[NH2+][C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)ccc1Br ZINC000178904543 530730152 /nfs/dbraw/zinc/73/01/52/530730152.db2.gz FGYMFRZOKFZVJG-MRXNPFEDSA-N 2 2 396.329 1.780 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000097000276 530818721 /nfs/dbraw/zinc/81/87/21/530818721.db2.gz CBULRUWHUKXGDZ-UHFFFAOYSA-N 2 2 383.543 1.338 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cccc2nsnc21 ZINC000097000276 530818723 /nfs/dbraw/zinc/81/87/23/530818723.db2.gz CBULRUWHUKXGDZ-UHFFFAOYSA-N 2 2 383.543 1.338 20 0 GDADLP O=C1NC(=O)[C@]2(CCC[N@@H+](Cc3c[nH+]c4ccc(Br)cn34)C2)N1 ZINC000193472009 530987355 /nfs/dbraw/zinc/98/73/55/530987355.db2.gz WKDYOGVOTGHELB-OAHLLOKOSA-N 2 2 378.230 1.271 20 0 GDADLP O=C1NC(=O)[C@]2(CCC[N@H+](Cc3c[nH+]c4ccc(Br)cn34)C2)N1 ZINC000193472009 530987358 /nfs/dbraw/zinc/98/73/58/530987358.db2.gz WKDYOGVOTGHELB-OAHLLOKOSA-N 2 2 378.230 1.271 20 0 GDADLP Cn1ncc(Br)c1C[NH+]1CCC(c2nnc3n2CC[NH2+]C3)CC1 ZINC000261946183 531103286 /nfs/dbraw/zinc/10/32/86/531103286.db2.gz NIIOBQAZOFMNJQ-UHFFFAOYSA-N 2 2 380.294 1.257 20 0 GDADLP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357316 531244405 /nfs/dbraw/zinc/24/44/05/531244405.db2.gz OUUUXVFUDNELHE-IUODEOHRSA-N 2 2 385.917 1.298 20 0 GDADLP C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC000521357316 531244410 /nfs/dbraw/zinc/24/44/10/531244410.db2.gz OUUUXVFUDNELHE-IUODEOHRSA-N 2 2 385.917 1.298 20 0 GDADLP Cn1ncc(Br)c1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000278312781 531352007 /nfs/dbraw/zinc/35/20/07/531352007.db2.gz DIJBLXURAVDKKN-UHFFFAOYSA-N 2 2 394.317 1.764 20 0 GDADLP CS[C@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1[NH+](C)C ZINC000537275296 531457987 /nfs/dbraw/zinc/45/79/87/531457987.db2.gz FPQPSZYZVSKOLC-IRXDYDNUSA-N 2 2 382.599 1.370 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1cc(C[N@H+]2CCSC[C@H]2CO)ccc1F ZINC000450637603 531502933 /nfs/dbraw/zinc/50/29/33/531502933.db2.gz HBIGYSIBWSHKIX-IAGOWNOFSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1cc(C[N@@H+]2CCSC[C@H]2CO)ccc1F ZINC000450637603 531502942 /nfs/dbraw/zinc/50/29/42/531502942.db2.gz HBIGYSIBWSHKIX-IAGOWNOFSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1ccc(F)c(C[N@@H+]2CCSC[C@H]2CO)c1 ZINC000450637603 531502946 /nfs/dbraw/zinc/50/29/46/531502946.db2.gz HBIGYSIBWSHKIX-IAGOWNOFSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1ccc(F)c(C[N@H+]2CCSC[C@H]2CO)c1 ZINC000450637603 531502956 /nfs/dbraw/zinc/50/29/56/531502956.db2.gz HBIGYSIBWSHKIX-IAGOWNOFSA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[N@@H+]1Cc1ccc(F)c(C[NH+]2CCSC[C@@H]2CO)c1 ZINC000450637605 531503550 /nfs/dbraw/zinc/50/35/50/531503550.db2.gz HBIGYSIBWSHKIX-SJORKVTESA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[N@H+]1Cc1ccc(F)c(C[NH+]2CCSC[C@@H]2CO)c1 ZINC000450637605 531503555 /nfs/dbraw/zinc/50/35/55/531503555.db2.gz HBIGYSIBWSHKIX-SJORKVTESA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1ccc(F)c(C[N@@H+]2CCSC[C@@H]2CO)c1 ZINC000450637605 531503562 /nfs/dbraw/zinc/50/35/62/531503562.db2.gz HBIGYSIBWSHKIX-SJORKVTESA-N 2 2 386.558 1.645 20 0 GDADLP OC[C@@H]1CSCC[NH+]1Cc1ccc(F)c(C[N@H+]2CCSC[C@@H]2CO)c1 ZINC000450637605 531503567 /nfs/dbraw/zinc/50/35/67/531503567.db2.gz HBIGYSIBWSHKIX-SJORKVTESA-N 2 2 386.558 1.645 20 0 GDADLP Cc1cc(Br)cn2c(CN3CCN([C@H]4CC[NH2+]C4)CC3)c[nH+]c12 ZINC000491193973 531549828 /nfs/dbraw/zinc/54/98/28/531549828.db2.gz HXGRQAQAOARCBJ-HNNXBMFYSA-N 2 2 378.318 1.885 20 0 GDADLP CO[C@H]1CCN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)[C@H](C[NH3+])C1 ZINC000417214337 531760637 /nfs/dbraw/zinc/76/06/37/531760637.db2.gz GTMSKSHXZXZQNV-KBPBESRZSA-N 2 2 396.289 1.745 20 0 GDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000641457290 531825320 /nfs/dbraw/zinc/82/53/20/531825320.db2.gz KBDHRKDHVZRBBZ-QGZVFWFLSA-N 2 2 380.539 1.420 20 0 GDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000641457290 531825325 /nfs/dbraw/zinc/82/53/25/531825325.db2.gz KBDHRKDHVZRBBZ-QGZVFWFLSA-N 2 2 380.539 1.420 20 0 GDADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](CCOc2ccccc2Cl)CC1 ZINC000418519390 531830637 /nfs/dbraw/zinc/83/06/37/531830637.db2.gz BEVTUTHVLOWTPP-UHFFFAOYSA-N 2 2 376.835 1.640 20 0 GDADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)[nH+]c12 ZINC000564873322 531869057 /nfs/dbraw/zinc/86/90/57/531869057.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 3 2 381.318 1.992 20 0 GDADLP Cc1cc(Br)cn2cc(CC[NH2+]C[C@H](O)C[N@H+](C)C3CC3)[nH+]c12 ZINC000564873322 531869062 /nfs/dbraw/zinc/86/90/62/531869062.db2.gz NAUMBEINQPFICL-INIZCTEOSA-N 3 2 381.318 1.992 20 0 GDADLP Cn1cc[nH+]c1CN1CCC[C@H]([NH2+]Cc2c(Br)cnn2C)C1=O ZINC000573897627 531992527 /nfs/dbraw/zinc/99/25/27/531992527.db2.gz WKXVMPISUBBLEH-LBPRGKRZSA-N 2 2 381.278 1.197 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2ccsc2c1 ZINC000271606040 532030215 /nfs/dbraw/zinc/03/02/15/532030215.db2.gz BRGYSZPIQDKDMG-UHFFFAOYSA-N 2 2 382.555 1.943 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cnc2ccsc2c1 ZINC000271606040 532030222 /nfs/dbraw/zinc/03/02/22/532030222.db2.gz BRGYSZPIQDKDMG-UHFFFAOYSA-N 2 2 382.555 1.943 20 0 GDADLP COC(=O)c1csc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)c1 ZINC000271718309 532045770 /nfs/dbraw/zinc/04/57/70/532045770.db2.gz QWLJIMBLPUPTRZ-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP COC(=O)c1csc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)c1 ZINC000271718309 532045775 /nfs/dbraw/zinc/04/57/75/532045775.db2.gz QWLJIMBLPUPTRZ-UHFFFAOYSA-N 2 2 389.543 1.181 20 0 GDADLP Ic1cnc(N2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)nc1 ZINC000601325270 532060950 /nfs/dbraw/zinc/06/09/50/532060950.db2.gz BTKCHLDXYJNMSD-GFCCVEGCSA-N 2 2 387.269 1.203 20 0 GDADLP OC[C@H](C[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)Cc1cccc(Br)c1 ZINC000423077737 532070514 /nfs/dbraw/zinc/07/05/14/532070514.db2.gz UHTLLIJRPJYXLE-BMGDILEWSA-N 2 2 383.330 1.957 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425426926 532139202 /nfs/dbraw/zinc/13/92/02/532139202.db2.gz SXCFXHFGMKLXJF-OAHLLOKOSA-N 2 2 389.587 1.931 20 0 GDADLP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(S(=O)(=O)N(C)C)s2)C1 ZINC000425426926 532139204 /nfs/dbraw/zinc/13/92/04/532139204.db2.gz SXCFXHFGMKLXJF-OAHLLOKOSA-N 2 2 389.587 1.931 20 0 GDADLP C[C@@](C[NH3+])([NH2+]CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)C1CC1 ZINC000430595199 532253416 /nfs/dbraw/zinc/25/34/16/532253416.db2.gz HLIITRINUJLBAT-KRWDZBQOSA-N 2 2 386.327 1.754 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430623549 532253637 /nfs/dbraw/zinc/25/36/37/532253637.db2.gz HDKZWQKATMAZQP-QWHCGFSZSA-N 2 2 397.317 1.563 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430623549 532253640 /nfs/dbraw/zinc/25/36/40/532253640.db2.gz HDKZWQKATMAZQP-QWHCGFSZSA-N 2 2 397.317 1.563 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430921193 532257703 /nfs/dbraw/zinc/25/77/03/532257703.db2.gz XMPFIZHAHJXSDA-CYBMUJFWSA-N 2 2 397.317 1.435 20 0 GDADLP Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430921193 532257708 /nfs/dbraw/zinc/25/77/08/532257708.db2.gz XMPFIZHAHJXSDA-CYBMUJFWSA-N 2 2 397.317 1.435 20 0 GDADLP C[C@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000430939712 532258465 /nfs/dbraw/zinc/25/84/65/532258465.db2.gz MCTNKGCRRVIGHF-AAEUAGOBSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000430939712 532258471 /nfs/dbraw/zinc/25/84/71/532258471.db2.gz MCTNKGCRRVIGHF-AAEUAGOBSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@H]1[NH3+] ZINC000430972030 532258742 /nfs/dbraw/zinc/25/87/42/532258742.db2.gz RASPKKUXFPPCHJ-IUODEOHRSA-N 2 2 386.327 1.706 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)CC[C@H]1[NH3+] ZINC000430972030 532258746 /nfs/dbraw/zinc/25/87/46/532258746.db2.gz RASPKKUXFPPCHJ-IUODEOHRSA-N 2 2 386.327 1.706 20 0 GDADLP [NH3+]CC1(O)CC[NH+](Cc2ncc(Br)cc2Br)CC1 ZINC000397006814 532302496 /nfs/dbraw/zinc/30/24/96/532302496.db2.gz CLJOSBVMKYWZTH-UHFFFAOYSA-N 2 2 379.096 1.892 20 0 GDADLP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnn(CC[NH+]3CCOCC3)c2)C1 ZINC000359876182 212121725 /nfs/dbraw/zinc/12/17/25/212121725.db2.gz UACFYHQFIXZYJD-OALUTQOASA-N 2 2 391.560 1.703 20 0 GDADLP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000238101582 570425155 /nfs/dbraw/zinc/42/51/55/570425155.db2.gz DYQJRNLUFOMUPR-KBXCAEBGSA-N 2 2 389.496 1.921 20 0 GDADLP C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112985 598972859 /nfs/dbraw/zinc/97/28/59/598972859.db2.gz LMKPLXBCCKHYEW-YOEHRIQHSA-N 2 2 398.515 1.395 20 0 GDADLP C[C@H](NC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)c1ccc(-c2nn[nH]n2)cc1 ZINC000736112985 598972861 /nfs/dbraw/zinc/97/28/61/598972861.db2.gz LMKPLXBCCKHYEW-YOEHRIQHSA-N 2 2 398.515 1.395 20 0 GDADLP O=C1[C@H]([NH2+]C[C@@H]2CCCn3cc[nH+]c32)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738290530 599289602 /nfs/dbraw/zinc/28/96/02/599289602.db2.gz PQHGLHRHKLDWKG-GOEBONIOSA-N 2 2 378.440 1.336 20 0 GDADLP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)c2ccccc2)CC1 ZINC000736862598 598526288 /nfs/dbraw/zinc/52/62/88/598526288.db2.gz FFRCLCCACHXPMT-HXUWFJFHSA-N 2 2 377.496 1.945 20 0 GDADLP Cc1oc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(-c2nn[nH]n2)c1C ZINC000737552910 599360016 /nfs/dbraw/zinc/36/00/16/599360016.db2.gz SPSYSTUPVLYQFP-UHFFFAOYSA-N 2 2 375.477 1.679 20 0 GDADLP O=C(C[NH+]1CCCC1)N1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000822997041 599525453 /nfs/dbraw/zinc/52/54/53/599525453.db2.gz LMNSWMSXPOBALM-UHFFFAOYSA-N 2 2 392.467 1.159 20 0 GDADLP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000820683550 599695611 /nfs/dbraw/zinc/69/56/11/599695611.db2.gz CYIULAYTKQWPLJ-HZPDHXFCSA-N 2 2 383.500 1.384 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000826183039 607522595 /nfs/dbraw/zinc/52/25/95/607522595.db2.gz BROHTBJBHMPLPN-IRXDYDNUSA-N 2 2 399.543 1.866 20 0 GDADLP C[C@H]1CN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000824992558 608150910 /nfs/dbraw/zinc/15/09/10/608150910.db2.gz MPPNUEXNRNDAKL-HNAYVOBHSA-N 2 2 392.511 1.877 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826182577 608171108 /nfs/dbraw/zinc/17/11/08/608171108.db2.gz NXCOHHCZLWBUPC-MAUKXSAKSA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000826182577 608171110 /nfs/dbraw/zinc/17/11/10/608171110.db2.gz NXCOHHCZLWBUPC-MAUKXSAKSA-N 2 2 385.516 1.333 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826168428 608375897 /nfs/dbraw/zinc/37/58/97/608375897.db2.gz MMKDXSONVCHXQG-CRAIPNDOSA-N 2 2 385.516 1.333 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826168428 608375899 /nfs/dbraw/zinc/37/58/99/608375899.db2.gz MMKDXSONVCHXQG-CRAIPNDOSA-N 2 2 385.516 1.333 20 0 GDADLP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825840022 608507005 /nfs/dbraw/zinc/50/70/05/608507005.db2.gz MRLSXVPDIDXLRQ-RTBURBONSA-N 2 2 397.527 1.776 20 0 GDADLP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+][C@@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000825840022 608507008 /nfs/dbraw/zinc/50/70/08/608507008.db2.gz MRLSXVPDIDXLRQ-RTBURBONSA-N 2 2 397.527 1.776 20 0 GDADLP O=C1[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826477070 609169936 /nfs/dbraw/zinc/16/99/36/609169936.db2.gz VBEKXCSRAWMAIT-LJQANCHMSA-N 2 2 395.511 1.826 20 0 GDADLP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545665 609333990 /nfs/dbraw/zinc/33/39/90/609333990.db2.gz DNWGCAOSPNFRON-ZDUSSCGKSA-N 2 2 389.479 1.599 20 0 GDADLP [NH3+][C@H]1C[C@H]2CN(c3cc[nH+]c4cc(F)c(Br)cc43)CCN2C1=O ZINC000565233405 650788510 /nfs/dbraw/zinc/78/85/10/650788510.db2.gz TXCKVWJZWRHKIZ-ZANVPECISA-N 2 2 379.233 1.885 20 0 GDADLP C[C@@H]([NH2+]CCCCN1CC[NH+](CCO)CC1)c1cncc(Br)c1 ZINC000565845290 650817616 /nfs/dbraw/zinc/81/76/16/650817616.db2.gz SYUUFGPGLCGQNP-OAHLLOKOSA-N 2 2 385.350 1.885 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000567524265 650909634 /nfs/dbraw/zinc/90/96/34/650909634.db2.gz HHABMNRATXXQRC-ZDUSSCGKSA-N 2 2 394.317 1.774 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]Cc2cn3ccc(Br)cc3n2)C1 ZINC000567524265 650909637 /nfs/dbraw/zinc/90/96/37/650909637.db2.gz HHABMNRATXXQRC-ZDUSSCGKSA-N 2 2 394.317 1.774 20 0 GDADLP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C[C@@H]2COCC[NH2+]2)s1 ZINC000422721972 646098014 /nfs/dbraw/zinc/09/80/14/646098014.db2.gz WLBPAJIESSFROZ-HUUCEWRRSA-N 2 2 389.587 1.678 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423115998 646115155 /nfs/dbraw/zinc/11/51/55/646115155.db2.gz ONZRLOYFUNBBMJ-AAEUAGOBSA-N 2 2 379.885 1.114 20 0 GDADLP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CC(=O)N(Cc1cccs1)[C@H]1CCS(=O)(=O)C1 ZINC000424336798 646173909 /nfs/dbraw/zinc/17/39/09/646173909.db2.gz RAQKSNCCLXUNIL-NUEKZKHPSA-N 2 2 385.555 1.123 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000918907206 660242593 /nfs/dbraw/zinc/24/25/93/660242593.db2.gz WKDATVSIOPEZTJ-TZMCWYRMSA-N 2 2 380.480 1.844 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)N3CCS[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000918907206 660242594 /nfs/dbraw/zinc/24/25/94/660242594.db2.gz WKDATVSIOPEZTJ-TZMCWYRMSA-N 2 2 380.480 1.844 20 0 GDADLP O[C@H](Cn1cccn1)C[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889811 648343960 /nfs/dbraw/zinc/34/39/60/648343960.db2.gz ZTIMXQZTMINIED-AWEZNQCLSA-N 2 2 394.273 1.998 20 0 GDADLP O[C@H](Cn1cccn1)C[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000510889811 648343964 /nfs/dbraw/zinc/34/39/64/648343964.db2.gz ZTIMXQZTMINIED-AWEZNQCLSA-N 2 2 394.273 1.998 20 0 GDADLP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072747 651703989 /nfs/dbraw/zinc/70/39/89/651703989.db2.gz ARMSLZNFCQSKHK-JSGCOSHPSA-N 2 2 386.327 1.849 20 0 GDADLP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC000577072747 651703995 /nfs/dbraw/zinc/70/39/95/651703995.db2.gz ARMSLZNFCQSKHK-JSGCOSHPSA-N 2 2 386.327 1.849 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)c1ncc(I)s1 ZINC000603430214 652717021 /nfs/dbraw/zinc/71/70/21/652717021.db2.gz WREQMQCQCKVPAH-UHFFFAOYSA-N 2 2 396.298 1.361 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)c1ncc(I)s1 ZINC000603430214 652717025 /nfs/dbraw/zinc/71/70/25/652717025.db2.gz WREQMQCQCKVPAH-UHFFFAOYSA-N 2 2 396.298 1.361 20 0 GDADLP C[C@@]1(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCS1 ZINC000628203764 653093283 /nfs/dbraw/zinc/09/32/83/653093283.db2.gz VNXWPJVHTIVZGX-KRWDZBQOSA-N 2 2 384.571 1.409 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000629606186 653177502 /nfs/dbraw/zinc/17/75/02/653177502.db2.gz OVTMOEHZQNFQHZ-HIFRSBDPSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@@H](O)COc1cc(Cl)ccc1Cl ZINC000629606186 653177510 /nfs/dbraw/zinc/17/75/10/653177510.db2.gz OVTMOEHZQNFQHZ-HIFRSBDPSA-N 2 2 390.311 1.663 20 0 GDADLP NS(=O)(=O)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)ccc1Cl ZINC000637906242 653531894 /nfs/dbraw/zinc/53/18/94/653531894.db2.gz SIUPPSFVJWDBOK-UHFFFAOYSA-N 2 2 387.933 1.532 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)s1 ZINC000638304805 653537734 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C[NH+](C)CCC[N@H+](C)CCNC(=O)c1csc(I)n1 ZINC000855414317 655693717 /nfs/dbraw/zinc/69/37/17/655693717.db2.gz AQFHWZZOXFWYQB-UHFFFAOYSA-N 2 2 396.298 1.361 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ncc(Br)s1 ZINC000876282932 656591943 /nfs/dbraw/zinc/59/19/43/656591943.db2.gz AQBQOZXQKDIBEU-UHFFFAOYSA-N 2 2 378.340 1.588 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ncc(Br)s1 ZINC000876282932 656591948 /nfs/dbraw/zinc/59/19/48/656591948.db2.gz AQBQOZXQKDIBEU-UHFFFAOYSA-N 2 2 378.340 1.588 20 0 GDADLP C[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000884234642 657338514 /nfs/dbraw/zinc/33/85/14/657338514.db2.gz AEPVUMGCSPBGFS-CJNGLKHVSA-N 2 2 383.334 1.449 20 0 GDADLP O=C(NCC[N@@H+]1CCc2sccc2C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914328045 660139763 /nfs/dbraw/zinc/13/97/63/660139763.db2.gz DYHWSBYZRVPAIA-HOTGVXAUSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[N@H+]1CCc2sccc2C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914328045 660139765 /nfs/dbraw/zinc/13/97/65/660139765.db2.gz DYHWSBYZRVPAIA-HOTGVXAUSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914328045 660139768 /nfs/dbraw/zinc/13/97/68/660139768.db2.gz DYHWSBYZRVPAIA-HOTGVXAUSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(NCC[NH+]1CCc2sccc2C1)N[C@H]1CCC[N@H+]2CCSC[C@@H]12 ZINC000914328045 660139769 /nfs/dbraw/zinc/13/97/69/660139769.db2.gz DYHWSBYZRVPAIA-HOTGVXAUSA-N 2 2 380.583 1.985 20 0 GDADLP O=C(c1cccnc1N1CCC[C@H]2[NH2+]C[C@H]21)N1CC[NH+](Cc2ccccc2)CC1 ZINC001164450746 718997744 /nfs/dbraw/zinc/99/77/44/718997744.db2.gz ZSWYLLMRQQYEEK-NHCUHLMSSA-N 2 2 391.519 1.980 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](C(=O)N4CCCC4)C[C@@H]4OCC[C@H]43)[nH+]2)CC1 ZINC001164679025 719540643 /nfs/dbraw/zinc/54/06/43/719540643.db2.gz QIKRKCKMSPDIEW-QRVBRYPASA-N 2 2 399.539 1.440 20 0 GDADLP Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(c1ccc3c([nH+]1)CCCC3)CC2 ZINC001164709347 719905501 /nfs/dbraw/zinc/90/55/01/719905501.db2.gz TYXHXBFXKXMOOR-UHFFFAOYSA-N 2 2 394.523 1.644 20 0 GDADLP C[N@H+](Cc1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1)C1CC1 ZINC001164832037 720399479 /nfs/dbraw/zinc/39/94/79/720399479.db2.gz XZIHPQZLXDOABT-UHFFFAOYSA-N 2 2 378.484 1.922 20 0 GDADLP C[N@@H+](Cc1ccc(N2CCCn3nnc(Cn4cc[nH+]c4)c3C2)nc1)C1CC1 ZINC001164832037 720399487 /nfs/dbraw/zinc/39/94/87/720399487.db2.gz XZIHPQZLXDOABT-UHFFFAOYSA-N 2 2 378.484 1.922 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164764047 721160222 /nfs/dbraw/zinc/16/02/22/721160222.db2.gz GQUMFGFICVVMBQ-UXHICEINSA-N 3 2 395.555 1.525 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3C2)cn1 ZINC001164764047 721160236 /nfs/dbraw/zinc/16/02/36/721160236.db2.gz GQUMFGFICVVMBQ-UXHICEINSA-N 3 2 395.555 1.525 20 0 GDADLP O=C(Cc1c[nH+]c[nH]1)N1CCC[C@H](C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571272104 945656991 /nfs/dbraw/zinc/65/69/91/945656991.db2.gz PISRBROIADOEQX-GFCCVEGCSA-N 2 2 386.485 1.222 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281223 945801454 /nfs/dbraw/zinc/80/14/54/945801454.db2.gz FVQTVLIBJNBANM-DQYPLSBCSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281223 945801459 /nfs/dbraw/zinc/80/14/59/945801459.db2.gz FVQTVLIBJNBANM-DQYPLSBCSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281223 945801467 /nfs/dbraw/zinc/80/14/67/945801467.db2.gz FVQTVLIBJNBANM-DQYPLSBCSA-N 2 2 387.463 1.179 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1cc(F)ccc1-c1nn[nH]n1 ZINC001571281223 945801473 /nfs/dbraw/zinc/80/14/73/945801473.db2.gz FVQTVLIBJNBANM-DQYPLSBCSA-N 2 2 387.463 1.179 20 0 GDADLP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825066255 947063578 /nfs/dbraw/zinc/06/35/78/947063578.db2.gz AMIYLWCTNKHJJV-HUUCEWRRSA-N 2 2 385.516 1.724 20 0 GDADLP CC(C)(C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573772813 948968555 /nfs/dbraw/zinc/96/85/55/948968555.db2.gz FNASNUPXIPJCEO-ZDUSSCGKSA-N 2 2 389.529 1.493 20 0 GDADLP CC(C)(C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)[NH+]1CCCC1 ZINC001573772813 948968565 /nfs/dbraw/zinc/96/85/65/948968565.db2.gz FNASNUPXIPJCEO-ZDUSSCGKSA-N 2 2 389.529 1.493 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001573813499 949635144 /nfs/dbraw/zinc/63/51/44/949635144.db2.gz YZZMUUQAQZJOOF-HNNXBMFYSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574481983 949816895 /nfs/dbraw/zinc/81/68/95/949816895.db2.gz YHYUZYPNUTYWRQ-STQMWFEESA-N 2 2 386.485 1.467 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575286699 949983303 /nfs/dbraw/zinc/98/33/03/949983303.db2.gz XSLAEEZQEICTTH-CYBMUJFWSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2cc(-c3nn[nH]n3)ccc2F)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575899942 950185977 /nfs/dbraw/zinc/18/59/77/950185977.db2.gz BAGAXGDDYLVFPV-BDJLRTHQSA-N 2 2 384.419 1.051 20 0 GDADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001574159945 950324693 /nfs/dbraw/zinc/32/46/93/950324693.db2.gz ZYRXBVGACJOHLN-YOEHRIQHSA-N 2 2 386.504 1.111 20 0 GDADLP CC(C)C[C@@H](CNc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC001574159945 950324715 /nfs/dbraw/zinc/32/47/15/950324715.db2.gz ZYRXBVGACJOHLN-YOEHRIQHSA-N 2 2 386.504 1.111 20 0 GDADLP C[C@H](CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574507109 950450065 /nfs/dbraw/zinc/45/00/65/950450065.db2.gz CVNPJKQADRSQPH-CYBMUJFWSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@@H](CC(=O)NCCN(c1cc[nH+]cc1-c1nn[nH]n1)C1CC1)n1cc[nH+]c1 ZINC001574507110 950451348 /nfs/dbraw/zinc/45/13/48/950451348.db2.gz CVNPJKQADRSQPH-ZDUSSCGKSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204972 950489003 /nfs/dbraw/zinc/48/90/03/950489003.db2.gz TTZJSKAKVVGSKU-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204972 950489011 /nfs/dbraw/zinc/48/90/11/950489011.db2.gz TTZJSKAKVVGSKU-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204972 950489018 /nfs/dbraw/zinc/48/90/18/950489018.db2.gz TTZJSKAKVVGSKU-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N[C@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204972 950489027 /nfs/dbraw/zinc/48/90/27/950489027.db2.gz TTZJSKAKVVGSKU-CJNGLKHVSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[C@@H](C)[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)Cn1cc[nH+]c1 ZINC001574522847 950802502 /nfs/dbraw/zinc/80/25/02/950802502.db2.gz LJSCIBDIMSDRDI-CHWSQXEVSA-N 2 2 386.435 1.275 20 0 GDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121014 952512743 /nfs/dbraw/zinc/51/27/43/952512743.db2.gz VBZKHSQTEBTHOA-TZMCWYRMSA-N 2 2 375.502 1.055 20 0 GDADLP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121014 952512747 /nfs/dbraw/zinc/51/27/47/952512747.db2.gz VBZKHSQTEBTHOA-TZMCWYRMSA-N 2 2 375.502 1.055 20 0 GDADLP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121014 952512757 /nfs/dbraw/zinc/51/27/57/952512757.db2.gz VBZKHSQTEBTHOA-TZMCWYRMSA-N 2 2 375.502 1.055 20 0 GDADLP CN(C(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571121014 952512763 /nfs/dbraw/zinc/51/27/63/952512763.db2.gz VBZKHSQTEBTHOA-TZMCWYRMSA-N 2 2 375.502 1.055 20 0 GDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)CCN1C(=O)Cn1cc[nH+]c1 ZINC001571167103 952769707 /nfs/dbraw/zinc/76/97/07/952769707.db2.gz VSCNRQYISKLZMP-HOCLYGCPSA-N 2 2 380.456 1.233 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001571252591 953331233 /nfs/dbraw/zinc/33/12/33/953331233.db2.gz QOPXJTJVIJVYAK-YOEHRIQHSA-N 2 2 384.488 1.173 20 0 GDADLP CN(c1cc[nH+]cc1-c1nn[nH]n1)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001571252591 953331237 /nfs/dbraw/zinc/33/12/37/953331237.db2.gz QOPXJTJVIJVYAK-YOEHRIQHSA-N 2 2 384.488 1.173 20 0 GDADLP Cn1nc(C(=O)[O-])cc1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001329775729 969714306 /nfs/dbraw/zinc/71/43/06/969714306.db2.gz UMLSPMGJYMXQEJ-UHFFFAOYSA-N 2 2 377.533 1.746 20 0 GDADLP Cn1nc(C(=O)[O-])cc1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC001329775729 969714311 /nfs/dbraw/zinc/71/43/11/969714311.db2.gz UMLSPMGJYMXQEJ-UHFFFAOYSA-N 2 2 377.533 1.746 20 0 GDADLP C[N@@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000162604661 530569210 /nfs/dbraw/zinc/56/92/10/530569210.db2.gz GTOMODGOSPKFID-CQSZACIVSA-N 2 2 398.305 1.062 20 0 GDADLP C[N@H+]1CCN(C(=O)CCNC(=O)Nc2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000162604661 530569213 /nfs/dbraw/zinc/56/92/13/530569213.db2.gz GTOMODGOSPKFID-CQSZACIVSA-N 2 2 398.305 1.062 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000174545137 530650828 /nfs/dbraw/zinc/65/08/28/530650828.db2.gz HCAABFAUUZUIKV-OAHLLOKOSA-N 2 2 396.333 1.494 20 0 GDADLP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(=O)Nc3ccc(Br)cn3)C2)CC1 ZINC000174545137 530650831 /nfs/dbraw/zinc/65/08/31/530650831.db2.gz HCAABFAUUZUIKV-OAHLLOKOSA-N 2 2 396.333 1.494 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000181069777 530777410 /nfs/dbraw/zinc/77/74/10/530777410.db2.gz FQXXFLDTHCKZPZ-UHFFFAOYSA-N 2 2 379.448 1.750 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)S(=O)(=O)c1cc(F)c(F)cc1F ZINC000181069777 530777411 /nfs/dbraw/zinc/77/74/11/530777411.db2.gz FQXXFLDTHCKZPZ-UHFFFAOYSA-N 2 2 379.448 1.750 20 0 GDADLP COc1ccc(S(=O)(=O)N(C)CC[N@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000097000119 530818988 /nfs/dbraw/zinc/81/89/88/530818988.db2.gz POQKRYDWUIMUAZ-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP COc1ccc(S(=O)(=O)N(C)CC[N@@H+](C)C2CC[NH+](C)CC2)cc1Cl ZINC000097000119 530818991 /nfs/dbraw/zinc/81/89/91/530818991.db2.gz POQKRYDWUIMUAZ-UHFFFAOYSA-N 2 2 389.949 1.995 20 0 GDADLP C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126178512 531015476 /nfs/dbraw/zinc/01/54/76/531015476.db2.gz VFCZMDIAJMTBGC-ODCWNRFASA-N 2 2 383.583 1.873 20 0 GDADLP C[C@@H](C[S@](C)=O)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000126178512 531015478 /nfs/dbraw/zinc/01/54/78/531015478.db2.gz VFCZMDIAJMTBGC-ODCWNRFASA-N 2 2 383.583 1.873 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccc(Br)cc1 ZINC000261764090 531098381 /nfs/dbraw/zinc/09/83/81/531098381.db2.gz WBFAQBWDFWVRAL-RHSMWYFYSA-N 2 2 395.345 1.606 20 0 GDADLP C[C@H]([C@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000261870220 531101763 /nfs/dbraw/zinc/10/17/63/531101763.db2.gz XUDSYJDMIWWONR-AHIWAGSCSA-N 2 2 384.318 1.848 20 0 GDADLP Cn1nc(Br)c2c1ncnc2NCC[NH+]1CCC([NH+](C)C)CC1 ZINC000267180364 531406987 /nfs/dbraw/zinc/40/69/87/531406987.db2.gz KBQLKECCCIOIQS-UHFFFAOYSA-N 2 2 382.310 1.564 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]C[C@@H](O)COc2ccccc2Br)n1C ZINC000414378677 531446216 /nfs/dbraw/zinc/44/62/16/531446216.db2.gz LBZKSPNRLSMLGX-CYBMUJFWSA-N 2 2 383.290 1.778 20 0 GDADLP CS[C@@H]1CN(CC(=O)N2CC[NH+](Cc3ccsc3)CC2)C[C@@H]1[NH+](C)C ZINC000537275288 531458092 /nfs/dbraw/zinc/45/80/92/531458092.db2.gz FPQPSZYZVSKOLC-DLBZAZTESA-N 2 2 382.599 1.370 20 0 GDADLP CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000581608568 531503150 /nfs/dbraw/zinc/50/31/50/531503150.db2.gz WIWSDFHGLNDCAE-KRWDZBQOSA-N 2 2 388.555 1.361 20 0 GDADLP CC(=O)N[C@@H](CC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053896 531610107 /nfs/dbraw/zinc/61/01/07/531610107.db2.gz MCMJMDJKDFWMLJ-HOTGVXAUSA-N 2 2 397.317 1.118 20 0 GDADLP CC(=O)N[C@@H](CC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000584053896 531610113 /nfs/dbraw/zinc/61/01/13/531610113.db2.gz MCMJMDJKDFWMLJ-HOTGVXAUSA-N 2 2 397.317 1.118 20 0 GDADLP CCOCC[NH+]1CCN(C(=O)c2sc3c(c2Br)C[NH2+]C3)CC1 ZINC000662454409 531679266 /nfs/dbraw/zinc/67/92/66/531679266.db2.gz LUICQFWQWLEECY-UHFFFAOYSA-N 2 2 388.331 1.908 20 0 GDADLP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1Br ZINC000638986296 531680268 /nfs/dbraw/zinc/68/02/68/531680268.db2.gz ZZPNPOPLMVHMOQ-INIZCTEOSA-N 3 2 390.285 1.892 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)[nH+]c12 ZINC000561187950 531683483 /nfs/dbraw/zinc/68/34/83/531683483.db2.gz OZPIMIFDAHDCES-WDNDVIMCSA-N 2 2 378.274 1.465 20 0 GDADLP C[C@@H]1C[N@H+](CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[C@@H](C)CO1 ZINC000662634215 531691009 /nfs/dbraw/zinc/69/10/09/531691009.db2.gz QWDXYPOULVYWPC-AHIWAGSCSA-N 2 2 384.318 1.848 20 0 GDADLP C[C@@H]1C[N@@H+](CCNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)[C@@H](C)CO1 ZINC000662634215 531691014 /nfs/dbraw/zinc/69/10/14/531691014.db2.gz QWDXYPOULVYWPC-AHIWAGSCSA-N 2 2 384.318 1.848 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000640049366 531718330 /nfs/dbraw/zinc/71/83/30/531718330.db2.gz LUJVFLLSKWSEQI-ZDUSSCGKSA-N 2 2 390.311 1.439 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@H](O)COc1c(Cl)cccc1Cl ZINC000640049366 531718335 /nfs/dbraw/zinc/71/83/35/531718335.db2.gz LUJVFLLSKWSEQI-ZDUSSCGKSA-N 2 2 390.311 1.439 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417197441 531757560 /nfs/dbraw/zinc/75/75/60/531757560.db2.gz ASPKIBOIJXELCJ-RISCZKNCSA-N 2 2 378.274 1.990 20 0 GDADLP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cn4cc(Br)ccc4[nH+]3)C[C@@H]12 ZINC000417208260 531758744 /nfs/dbraw/zinc/75/87/44/531758744.db2.gz BMWGKXQIOBJZMX-ZLKJLUDKSA-N 2 2 378.274 1.976 20 0 GDADLP Cc1ncc(S(=O)(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000269938231 531808234 /nfs/dbraw/zinc/80/82/34/531808234.db2.gz FASUOXWFEFQDQV-UHFFFAOYSA-N 2 2 381.527 1.337 20 0 GDADLP C[NH+](C)C[C@@H](O)C[NH2+]C[C@@H](O)COc1ccc(Cl)cc1Br ZINC000563143233 531812187 /nfs/dbraw/zinc/81/21/87/531812187.db2.gz PCULIQSTVJNWHW-NWDGAFQWSA-N 2 2 381.698 1.354 20 0 GDADLP O[C@@H]1CC[N@H+](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000623758658 531823261 /nfs/dbraw/zinc/82/32/61/531823261.db2.gz KEBYUXCZFPPZDT-MRXNPFEDSA-N 2 2 384.318 1.442 20 0 GDADLP O[C@@H]1CC[N@@H+](CC[NH2+]Cc2ccc(Br)cc2N2CCOCC2)C1 ZINC000623758658 531823266 /nfs/dbraw/zinc/82/32/66/531823266.db2.gz KEBYUXCZFPPZDT-MRXNPFEDSA-N 2 2 384.318 1.442 20 0 GDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000641457283 531824869 /nfs/dbraw/zinc/82/48/69/531824869.db2.gz KBDHRKDHVZRBBZ-KRWDZBQOSA-N 2 2 380.539 1.420 20 0 GDADLP O=S(=O)(CCn1cc[nH+]c1)NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000641457283 531824876 /nfs/dbraw/zinc/82/48/76/531824876.db2.gz KBDHRKDHVZRBBZ-KRWDZBQOSA-N 2 2 380.539 1.420 20 0 GDADLP COc1nc(N2CC[NH+](CCc3c[nH+]cn3C)CC2)ncc1Br ZINC000297931528 531835488 /nfs/dbraw/zinc/83/54/88/531835488.db2.gz UOQNMBWGDPLYDR-UHFFFAOYSA-N 2 2 381.278 1.346 20 0 GDADLP Cc1cc(Br)cn2cc(CNC(=O)NC[C@H]3C[NH2+]CCO3)[nH+]c12 ZINC000563584637 531854667 /nfs/dbraw/zinc/85/46/67/531854667.db2.gz UMCXMXAEMUDOTF-CYBMUJFWSA-N 2 2 382.262 1.193 20 0 GDADLP C[C@@H]1C[NH+](C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H](C)O1 ZINC000563704638 531861687 /nfs/dbraw/zinc/86/16/87/531861687.db2.gz ADIDKDUREPFBIV-XNJGSVPQSA-N 2 2 399.329 1.944 20 0 GDADLP COCCC[N@H+](C)CCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455865346 531881803 /nfs/dbraw/zinc/88/18/03/531881803.db2.gz LYDXEAWIIZZZOX-UHFFFAOYSA-N 2 2 388.310 2.000 20 0 GDADLP COCCC[N@@H+](C)CCNC(=O)Nc1cc(N(C)C)c(Br)c[nH+]1 ZINC000455865346 531881812 /nfs/dbraw/zinc/88/18/12/531881812.db2.gz LYDXEAWIIZZZOX-UHFFFAOYSA-N 2 2 388.310 2.000 20 0 GDADLP Cc1[nH+]c[nH]c1CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595948258 531895455 /nfs/dbraw/zinc/89/54/55/531895455.db2.gz PRRLTADNBLQICT-UHFFFAOYSA-N 2 2 388.234 1.917 20 0 GDADLP C[C@H]([NH2+]CC1([NH3+])CCC1)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000647907547 531903826 /nfs/dbraw/zinc/90/38/26/531903826.db2.gz MGTRSOBOBCTAJK-NSHDSACASA-N 2 2 388.921 1.388 20 0 GDADLP C[C@]([NH3+])(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(Br)cc1 ZINC000649320806 531925842 /nfs/dbraw/zinc/92/58/42/531925842.db2.gz ANUBWISHEJGONH-JFIYKMOQSA-N 2 2 396.329 1.681 20 0 GDADLP Cc1cc(Br)cn2c(C[NH2+]C[C@@]3(OCCO)CCOC3)c[nH+]c12 ZINC000657596708 532011769 /nfs/dbraw/zinc/01/17/69/532011769.db2.gz ITBNOPKONNUCSG-INIZCTEOSA-N 2 2 384.274 1.663 20 0 GDADLP O=S(=O)(CC[NH2+]C1CC[NH+](Cc2ccccn2)CC1)N1CCSCC1 ZINC000576682776 532026002 /nfs/dbraw/zinc/02/60/02/532026002.db2.gz CWBHJSQYDYDPMS-UHFFFAOYSA-N 2 2 384.571 1.014 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]Cc1ccc(S(C)(=O)=O)c(C(F)(F)F)c1 ZINC000423086144 532070882 /nfs/dbraw/zinc/07/08/82/532070882.db2.gz LKBQMBFVMILHSH-AAEUAGOBSA-N 2 2 380.432 1.966 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108743 532072627 /nfs/dbraw/zinc/07/26/27/532072627.db2.gz UGIYVLVDANNKDG-ZIAGYGMSSA-N 2 2 375.922 1.365 20 0 GDADLP CN(C)c1cc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)[nH+]cc1Br ZINC000332690426 532205832 /nfs/dbraw/zinc/20/58/32/532205832.db2.gz QSINKWAXWLDIKV-GFCCVEGCSA-N 2 2 397.321 1.422 20 0 GDADLP C[C@H]([NH3+])[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333393543 532233015 /nfs/dbraw/zinc/23/30/15/532233015.db2.gz XVHMHTCVIQFKOP-RYUDHWBXSA-N 2 2 398.305 1.882 20 0 GDADLP C[NH+](C)[C@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333210079 532225471 /nfs/dbraw/zinc/22/54/71/532225471.db2.gz TVMDZKLRIISBIG-LBPRGKRZSA-N 2 2 398.305 1.849 20 0 GDADLP Cc1cccc(NC[C@H]2CC[N@@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399531 599072765 /nfs/dbraw/zinc/07/27/65/599072765.db2.gz LDNSAKKFGOMXBH-KDOFPFPSSA-N 2 2 392.467 1.531 20 0 GDADLP Cc1cccc(NC[C@H]2CC[N@H+]([C@H](C(N)=O)c3ccc(-c4nn[nH]n4)cc3)C2)[nH+]1 ZINC000737399531 599072768 /nfs/dbraw/zinc/07/27/68/599072768.db2.gz LDNSAKKFGOMXBH-KDOFPFPSSA-N 2 2 392.467 1.531 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821622048 599282420 /nfs/dbraw/zinc/28/24/20/599282420.db2.gz QHATUADXUUMYGQ-UHFFFAOYSA-N 2 2 390.467 1.496 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1ccc(F)c(-c2nn[nH]n2)c1 ZINC000821622048 599282421 /nfs/dbraw/zinc/28/24/21/599282421.db2.gz QHATUADXUUMYGQ-UHFFFAOYSA-N 2 2 390.467 1.496 20 0 GDADLP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(-c4nn[nH]n4)cc3F)cn2)CC1 ZINC000736866061 598357335 /nfs/dbraw/zinc/35/73/35/598357335.db2.gz CGBMATGBVICJFI-UHFFFAOYSA-N 2 2 382.447 1.442 20 0 GDADLP CC[NH+](CC)[C@H](C[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736532808 598517774 /nfs/dbraw/zinc/51/77/74/598517774.db2.gz DBVNINMMTKWQJB-CRAIPNDOSA-N 2 2 395.515 1.778 20 0 GDADLP c1cn(Cc2ccccc2C[NH2+]C[C@@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c[nH+]1 ZINC000738432471 598522340 /nfs/dbraw/zinc/52/23/40/598522340.db2.gz HLXZVTJWCROXGU-CQSZACIVSA-N 2 2 390.455 1.140 20 0 GDADLP C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000820414572 607014001 /nfs/dbraw/zinc/01/40/01/607014001.db2.gz ZIAGRMRPQPBOFA-INIZCTEOSA-N 2 2 385.516 1.314 20 0 GDADLP CC[N@H+](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825390489 608020786 /nfs/dbraw/zinc/02/07/86/608020786.db2.gz GYFULIDDLCCYDW-MRXNPFEDSA-N 2 2 397.487 1.373 20 0 GDADLP CC[N@@H+](C)[C@@H](C(=O)Nc1n[nH]c(CCC[NH2+]C)c1-c1nn[nH]n1)c1ccccc1 ZINC000825390489 608020787 /nfs/dbraw/zinc/02/07/87/608020787.db2.gz GYFULIDDLCCYDW-MRXNPFEDSA-N 2 2 397.487 1.373 20 0 GDADLP C[C@H]1C[N@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985165 608170817 /nfs/dbraw/zinc/17/08/17/608170817.db2.gz SGNKTABYOOIHHY-WMZOPIPTSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]1C[N@@H+](CCOc2ccccc2-c2nn[nH]n2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000824985165 608170820 /nfs/dbraw/zinc/17/08/20/608170820.db2.gz SGNKTABYOOIHHY-WMZOPIPTSA-N 2 2 385.516 1.203 20 0 GDADLP C[C@H]([NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568591 608483505 /nfs/dbraw/zinc/48/35/05/608483505.db2.gz AXMZOQWZEARKFY-MGPUTAFESA-N 2 2 378.480 1.937 20 0 GDADLP C[C@H]([NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1)c1cccc(-c2nn[nH]n2)c1 ZINC000824568591 608483506 /nfs/dbraw/zinc/48/35/06/608483506.db2.gz AXMZOQWZEARKFY-MGPUTAFESA-N 2 2 378.480 1.937 20 0 GDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593230 609139627 /nfs/dbraw/zinc/13/96/27/609139627.db2.gz POKDHLQSVFRCDM-DYVFJYSZSA-N 2 2 389.479 1.599 20 0 GDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824593230 609139628 /nfs/dbraw/zinc/13/96/28/609139628.db2.gz POKDHLQSVFRCDM-DYVFJYSZSA-N 2 2 389.479 1.599 20 0 GDADLP C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824545864 609335501 /nfs/dbraw/zinc/33/55/01/609335501.db2.gz DYQSDKRMGSNPCP-HOCLYGCPSA-N 2 2 389.479 1.063 20 0 GDADLP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000824297592 609416046 /nfs/dbraw/zinc/41/60/46/609416046.db2.gz XJWNKKKWGGHTNQ-SFHVURJKSA-N 2 2 383.500 1.825 20 0 GDADLP COCC[N@@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000564929470 650772994 /nfs/dbraw/zinc/77/29/94/650772994.db2.gz SDVGGPROQLLNSH-KRWDZBQOSA-N 2 2 384.318 1.804 20 0 GDADLP COCC[N@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000564929470 650773001 /nfs/dbraw/zinc/77/30/01/650773001.db2.gz SDVGGPROQLLNSH-KRWDZBQOSA-N 2 2 384.318 1.804 20 0 GDADLP C[N@H+](CC[NH3+])CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000420380429 645942175 /nfs/dbraw/zinc/94/21/75/645942175.db2.gz ODBYCDPXSIQDEQ-UHFFFAOYSA-N 2 2 388.921 1.344 20 0 GDADLP C[N@@H+](CC[NH3+])CCC(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl ZINC000420380429 645942176 /nfs/dbraw/zinc/94/21/76/645942176.db2.gz ODBYCDPXSIQDEQ-UHFFFAOYSA-N 2 2 388.921 1.344 20 0 GDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781345 647163707 /nfs/dbraw/zinc/16/37/07/647163707.db2.gz PFRJJXUHSLLELX-NEPJUHHUSA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)NCC(=O)Nc1ccccc1Br ZINC000442781345 647163710 /nfs/dbraw/zinc/16/37/10/647163710.db2.gz PFRJJXUHSLLELX-NEPJUHHUSA-N 2 2 383.290 1.173 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000467157942 647634745 /nfs/dbraw/zinc/63/47/45/647634745.db2.gz KDJOQNQWMLJAAW-UHFFFAOYSA-N 2 2 397.317 1.613 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N2CCC[N@@H+](C)CC2)cc1Br ZINC000467157942 647634747 /nfs/dbraw/zinc/63/47/47/647634747.db2.gz KDJOQNQWMLJAAW-UHFFFAOYSA-N 2 2 397.317 1.613 20 0 GDADLP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCN3S(C)(=O)=O)sc2C1 ZINC000512983550 648418523 /nfs/dbraw/zinc/41/85/23/648418523.db2.gz TVEKFQAKJOTHGX-CQSZACIVSA-N 2 2 386.587 1.813 20 0 GDADLP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCCN3S(C)(=O)=O)sc2C1 ZINC000512983550 648418530 /nfs/dbraw/zinc/41/85/30/648418530.db2.gz TVEKFQAKJOTHGX-CQSZACIVSA-N 2 2 386.587 1.813 20 0 GDADLP OCCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515383341 648493638 /nfs/dbraw/zinc/49/36/38/648493638.db2.gz CMAQCPZVXMNVCB-JKSUJKDBSA-N 2 2 387.318 1.625 20 0 GDADLP OCCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H](O)COc1ccc(Br)cc1 ZINC000515383341 648493641 /nfs/dbraw/zinc/49/36/41/648493641.db2.gz CMAQCPZVXMNVCB-JKSUJKDBSA-N 2 2 387.318 1.625 20 0 GDADLP C[N@H+](C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000581939195 651980413 /nfs/dbraw/zinc/98/04/13/651980413.db2.gz PKULOWICULENHB-KRWDZBQOSA-N 2 2 398.345 1.830 20 0 GDADLP C[N@@H+](C[C@@H](O)C[NH2+]Cc1ccc(Br)cc1N1CCOCC1)C1CC1 ZINC000581939195 651980414 /nfs/dbraw/zinc/98/04/14/651980414.db2.gz PKULOWICULENHB-KRWDZBQOSA-N 2 2 398.345 1.830 20 0 GDADLP C[C@]1(C[NH2+]CCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCCS1 ZINC000628203765 653093129 /nfs/dbraw/zinc/09/31/29/653093129.db2.gz VNXWPJVHTIVZGX-QGZVFWFLSA-N 2 2 384.571 1.409 20 0 GDADLP NC(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000629602449 653176875 /nfs/dbraw/zinc/17/68/75/653176875.db2.gz FLWULFQOTQBMPH-LRDDRELGSA-N 2 2 390.311 1.663 20 0 GDADLP NC(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]C[C@H](O)COc1ccc(Cl)c(Cl)c1 ZINC000629602449 653176880 /nfs/dbraw/zinc/17/68/80/653176880.db2.gz FLWULFQOTQBMPH-LRDDRELGSA-N 2 2 390.311 1.663 20 0 GDADLP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(S(N)(=O)=O)s3)CC2)CC1 ZINC000639045480 653544949 /nfs/dbraw/zinc/54/49/49/653544949.db2.gz YDFYOMJBRASINI-UHFFFAOYSA-N 2 2 386.587 1.245 20 0 GDADLP COc1ncc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644636153 653599845 /nfs/dbraw/zinc/59/98/45/653599845.db2.gz YAIRWEAEQQGSGT-ZDUSSCGKSA-N 2 2 397.317 1.751 20 0 GDADLP COc1ncc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)cc1Br ZINC000644636153 653599846 /nfs/dbraw/zinc/59/98/46/653599846.db2.gz YAIRWEAEQQGSGT-ZDUSSCGKSA-N 2 2 397.317 1.751 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000647835870 653635800 /nfs/dbraw/zinc/63/58/00/653635800.db2.gz SEXOTHZRSHANHD-UHFFFAOYSA-N 2 2 386.319 1.898 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)Cc1nc(-c2cc(Br)cs2)no1 ZINC000647835870 653635802 /nfs/dbraw/zinc/63/58/02/653635802.db2.gz SEXOTHZRSHANHD-UHFFFAOYSA-N 2 2 386.319 1.898 20 0 GDADLP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662755985 654301881 /nfs/dbraw/zinc/30/18/81/654301881.db2.gz GEWZZKHMDJXFDN-QGZVFWFLSA-N 2 2 397.361 1.983 20 0 GDADLP CC[NH+]1CCN(CCCCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662755985 654301894 /nfs/dbraw/zinc/30/18/94/654301894.db2.gz GEWZZKHMDJXFDN-QGZVFWFLSA-N 2 2 397.361 1.983 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000785422373 654917070 /nfs/dbraw/zinc/91/70/70/654917070.db2.gz NMTTYOLEVNURPM-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3nc(Br)ccc3F)C2)CC1 ZINC000792163844 655087406 /nfs/dbraw/zinc/08/74/06/655087406.db2.gz KCTRJSKTMWPUMF-LLVKDONJSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3nc(Br)ccc3F)C2)CC1 ZINC000792163844 655087410 /nfs/dbraw/zinc/08/74/10/655087410.db2.gz KCTRJSKTMWPUMF-LLVKDONJSA-N 2 2 385.281 1.882 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(F)cc2Br)C1 ZINC000866708421 655955596 /nfs/dbraw/zinc/95/55/96/655955596.db2.gz MWGHBRDTWQDYBS-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2ccc(F)cc2Br)C1 ZINC000866708421 655955598 /nfs/dbraw/zinc/95/55/98/655955598.db2.gz MWGHBRDTWQDYBS-CFVMTHIKSA-N 2 2 384.249 1.955 20 0 GDADLP C[NH+]1CCN(C(=O)C[NH2+][C@H](c2cccc(Br)c2)[C@H]2CCOC2)CC1 ZINC000872026984 656318124 /nfs/dbraw/zinc/31/81/24/656318124.db2.gz AGIMWEXKZLKELU-MAUKXSAKSA-N 2 2 396.329 1.890 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000872256242 656321741 /nfs/dbraw/zinc/32/17/41/656321741.db2.gz QYSJBWNJYSWGBI-DFBGVHRSSA-N 2 2 382.258 1.522 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000872256242 656321744 /nfs/dbraw/zinc/32/17/44/656321744.db2.gz QYSJBWNJYSWGBI-DFBGVHRSSA-N 2 2 382.258 1.522 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3ccc(Br)[nH]c3=O)C2)CC1 ZINC000932623470 657203717 /nfs/dbraw/zinc/20/37/17/657203717.db2.gz YDFCBSQHTFCSNG-NSHDSACASA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3ccc(Br)[nH]c3=O)C2)CC1 ZINC000932623470 657203720 /nfs/dbraw/zinc/20/37/20/657203720.db2.gz YDFCBSQHTFCSNG-NSHDSACASA-N 2 2 383.290 1.448 20 0 GDADLP [NH3+][C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(Br)cc1 ZINC000884227840 657337252 /nfs/dbraw/zinc/33/72/52/657337252.db2.gz ZEURQKOBHSMRCM-CZUORRHYSA-N 2 2 382.302 1.630 20 0 GDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884307642 657344279 /nfs/dbraw/zinc/34/42/79/657344279.db2.gz PJOWZDHGAPOSBC-MRXNPFEDSA-N 2 2 397.317 1.119 20 0 GDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884307642 657344285 /nfs/dbraw/zinc/34/42/85/657344285.db2.gz PJOWZDHGAPOSBC-MRXNPFEDSA-N 2 2 397.317 1.119 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934371275 657357745 /nfs/dbraw/zinc/35/77/45/657357745.db2.gz PNRVIIRCJWEFCW-UHFFFAOYSA-N 2 2 387.326 1.986 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)Nc1c(Br)cnn1C1CC1 ZINC000934371275 657357748 /nfs/dbraw/zinc/35/77/48/657357748.db2.gz PNRVIIRCJWEFCW-UHFFFAOYSA-N 2 2 387.326 1.986 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000903493227 659317772 /nfs/dbraw/zinc/31/77/72/659317772.db2.gz PSGJIQCFWHDLOU-VYHVBIQSSA-N 2 2 396.285 1.188 20 0 GDADLP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+]([C@@H](C(N)=O)c1cccc(Br)c1)C2 ZINC000903493227 659317780 /nfs/dbraw/zinc/31/77/80/659317780.db2.gz PSGJIQCFWHDLOU-VYHVBIQSSA-N 2 2 396.285 1.188 20 0 GDADLP CNC(=O)C[N@@H+]1CCCC12CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)CC2 ZINC001164690259 719747032 /nfs/dbraw/zinc/74/70/32/719747032.db2.gz WZUJILDBQKPRBU-QGZVFWFLSA-N 2 2 386.544 1.894 20 0 GDADLP CNC(=O)C[N@H+]1CCCC12CCN(c1cc(N3CCC[C@@H](C)C3)[nH+]cn1)CC2 ZINC001164690259 719747046 /nfs/dbraw/zinc/74/70/46/719747046.db2.gz WZUJILDBQKPRBU-QGZVFWFLSA-N 2 2 386.544 1.894 20 0 GDADLP C[NH+]1CCN(c2nccc(N3C[C@H]4C[NH+](Cc5nccs5)C[C@@H]4C3)n2)CC1 ZINC001164782087 721432979 /nfs/dbraw/zinc/43/29/79/721432979.db2.gz FXPMSOMKMDSUAN-HZPDHXFCSA-N 2 2 385.541 1.253 20 0 GDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2cc[nH+]c(N4CCCCC4)n2)CC3)CC1 ZINC001164797107 721518097 /nfs/dbraw/zinc/51/80/97/721518097.db2.gz GQDKYDUQXJXUHU-UHFFFAOYSA-N 2 2 396.543 1.431 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@@H]4[C@@H]3CCN4C(=O)c3cscn3)[nH+]2)CC1 ZINC001164966368 722064948 /nfs/dbraw/zinc/06/49/48/722064948.db2.gz RPUIJWDQRRZYJS-DLBZAZTESA-N 2 2 398.536 1.783 20 0 GDADLP Cc1c[nH+]c(N2CCc3ncnc(N4CC[NH+](C)CC4)c3CC2)nc1NC1CC1 ZINC001164997732 722228751 /nfs/dbraw/zinc/22/87/51/722228751.db2.gz UYTFBDZCISBBGR-UHFFFAOYSA-N 2 2 394.527 1.506 20 0 GDADLP C[C@@H]1C[N@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001571281630 945806057 /nfs/dbraw/zinc/80/60/57/945806057.db2.gz KHMUYUPWCNHCGT-JLZZUVOBSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[N@@H+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[NH+]1C ZINC001571281630 945806071 /nfs/dbraw/zinc/80/60/71/945806071.db2.gz KHMUYUPWCNHCGT-JLZZUVOBSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001571281630 945806084 /nfs/dbraw/zinc/80/60/84/945806084.db2.gz KHMUYUPWCNHCGT-JLZZUVOBSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H]1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC001571281630 945806089 /nfs/dbraw/zinc/80/60/89/945806089.db2.gz KHMUYUPWCNHCGT-JLZZUVOBSA-N 2 2 387.463 1.037 20 0 GDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571283415 945883206 /nfs/dbraw/zinc/88/32/06/945883206.db2.gz FMYYZYPBQQKUKQ-KBPBESRZSA-N 2 2 387.513 1.055 20 0 GDADLP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@H+]3Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001571283415 945883213 /nfs/dbraw/zinc/88/32/13/945883213.db2.gz FMYYZYPBQQKUKQ-KBPBESRZSA-N 2 2 387.513 1.055 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCOC[C@H]2CCOC2)CC1 ZINC000826514129 948438543 /nfs/dbraw/zinc/43/85/43/948438543.db2.gz IFYZRKKCTPDKIS-KRWDZBQOSA-N 2 2 386.500 1.474 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921432 948924044 /nfs/dbraw/zinc/92/40/44/948924044.db2.gz XFMBEPSCNQTBJD-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)CCc1[nH+]ccn1C)[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574921432 948924054 /nfs/dbraw/zinc/92/40/54/948924054.db2.gz XFMBEPSCNQTBJD-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574484142 949865247 /nfs/dbraw/zinc/86/52/47/949865247.db2.gz WLJUKEKWDXYMCV-GOEBONIOSA-N 2 2 380.456 1.405 20 0 GDADLP CC(C)C[C@@H](C[NH2+]Cc1ccccc1-c1nn[nH]n1)NC(=O)Cc1c[nH]c[nH+]1 ZINC001574153308 950140556 /nfs/dbraw/zinc/14/05/56/950140556.db2.gz RGJPUROOTWBVNZ-INIZCTEOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191343 950191061 /nfs/dbraw/zinc/19/10/61/950191061.db2.gz FKZUFFJKBFYJAO-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191343 950191074 /nfs/dbraw/zinc/19/10/74/950191074.db2.gz FKZUFFJKBFYJAO-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191343 950191093 /nfs/dbraw/zinc/19/10/93/950191093.db2.gz FKZUFFJKBFYJAO-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191343 950191115 /nfs/dbraw/zinc/19/11/15/950191115.db2.gz FKZUFFJKBFYJAO-KGLIPLIRSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H](CC(=O)NCC[C@H](C)[NH2+]Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574508126 950472840 /nfs/dbraw/zinc/47/28/40/950472840.db2.gz IXLYKKATRGTJSY-LSDHHAIUSA-N 2 2 382.472 1.699 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574511995 950582440 /nfs/dbraw/zinc/58/24/40/950582440.db2.gz ZBMFTHTWYPELSW-ZIAGYGMSSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H](CC(=O)N[C@H]1CCCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574513781 950618413 /nfs/dbraw/zinc/61/84/13/950618413.db2.gz ZBMFTHTWYPELSW-KGLIPLIRSA-N 2 2 381.444 1.195 20 0 GDADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)N(C)C(=O)CCn1cc[nH+]c1 ZINC001575079394 951690477 /nfs/dbraw/zinc/69/04/77/951690477.db2.gz DNLJNUJMORATFI-CYBMUJFWSA-N 2 2 386.435 1.229 20 0 GDADLP C[C@@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)N(C)C(=O)CCc1c[nH+]cn1C ZINC001575093839 951802230 /nfs/dbraw/zinc/80/22/30/951802230.db2.gz LDPGLZZAQUBLCS-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@H](CNC(=O)C[C@H](C)n1cc[nH+]c1)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575105457 951893819 /nfs/dbraw/zinc/89/38/19/951893819.db2.gz JYRWKSVACVEHHQ-GJZGRUSLSA-N 2 2 382.472 1.556 20 0 GDADLP C[C@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001575108755 951926239 /nfs/dbraw/zinc/92/62/39/951926239.db2.gz NFJILLGWSLRDAK-CQSZACIVSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166003 952756969 /nfs/dbraw/zinc/75/69/69/952756969.db2.gz JZPSUQNBIYDOMV-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1[C@@H](NC(=O)Cn2cc[nH+]c2)CCC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571166003 952756972 /nfs/dbraw/zinc/75/69/72/952756972.db2.gz JZPSUQNBIYDOMV-PBHICJAKSA-N 2 2 380.456 1.233 20 0 GDADLP C[C@@H]1CN(C(=O)CCn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001571167071 952768992 /nfs/dbraw/zinc/76/89/92/952768992.db2.gz UYOJEZLSXRZGGC-RHSMWYFYSA-N 2 2 380.456 1.090 20 0 GDADLP OC[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc(OCC[NH+]2CCOCC2)cc1 ZINC001659439432 1126263414 /nfs/dbraw/zinc/26/34/14/1126263414.db2.gz ONAJNYLLSSGHMF-HXUWFJFHSA-N 2 2 386.492 1.796 20 0 GDADLP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Br ZINC000174720796 530652944 /nfs/dbraw/zinc/65/29/44/530652944.db2.gz UBNUTFAHZXGBDF-UHFFFAOYSA-N 2 2 383.334 1.957 20 0 GDADLP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(=O)Nc1ccccc1Br ZINC000174720796 530652945 /nfs/dbraw/zinc/65/29/45/530652945.db2.gz UBNUTFAHZXGBDF-UHFFFAOYSA-N 2 2 383.334 1.957 20 0 GDADLP COc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)ncc1Br ZINC000178956016 530732324 /nfs/dbraw/zinc/73/23/24/530732324.db2.gz QWLLCGMEXYHVLP-PBWFPOADSA-N 2 2 396.333 1.995 20 0 GDADLP COc1nc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)ncc1Br ZINC000178956016 530732325 /nfs/dbraw/zinc/73/23/25/530732325.db2.gz QWLLCGMEXYHVLP-PBWFPOADSA-N 2 2 396.333 1.995 20 0 GDADLP O=C(C[NH+]1CCN(Cc2ccc(Br)cc2F)CC1)N[C@@H]1CC[NH2+]C1 ZINC000126337879 531017712 /nfs/dbraw/zinc/01/77/12/531017712.db2.gz OWZQDSDAOCPBCS-OAHLLOKOSA-N 2 2 399.308 1.184 20 0 GDADLP Cc1[nH]c(=O)c(C(=O)NCC[NH+]2CCC([NH+](C)C)CC2)cc1Br ZINC000130233633 531059054 /nfs/dbraw/zinc/05/90/54/531059054.db2.gz XCGDCFOZFHYWTL-UHFFFAOYSA-N 2 2 385.306 1.614 20 0 GDADLP C[N@@H+]1CCN(Cc2ncc(Br)cc2Br)[C@H](C[NH3+])C1 ZINC000135330614 531107946 /nfs/dbraw/zinc/10/79/46/531107946.db2.gz UHQQVEPRWBQPKZ-SNVBAGLBSA-N 2 2 378.112 1.681 20 0 GDADLP C[N@H+]1CCN(Cc2ncc(Br)cc2Br)[C@H](C[NH3+])C1 ZINC000135330614 531107950 /nfs/dbraw/zinc/10/79/50/531107950.db2.gz UHQQVEPRWBQPKZ-SNVBAGLBSA-N 2 2 378.112 1.681 20 0 GDADLP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cc(S(N)(=O)=O)ccc2Cl)CC1 ZINC000472656965 531236733 /nfs/dbraw/zinc/23/67/33/531236733.db2.gz VWLWPMGMUUIRRT-UHFFFAOYSA-N 2 2 388.921 1.200 20 0 GDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000414364434 531444822 /nfs/dbraw/zinc/44/48/22/531444822.db2.gz ZUMDPGYNQXRYCG-CMPLNLGQSA-N 2 2 376.320 1.669 20 0 GDADLP C[C@H]1C[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000414364434 531444823 /nfs/dbraw/zinc/44/48/23/531444823.db2.gz ZUMDPGYNQXRYCG-CMPLNLGQSA-N 2 2 376.320 1.669 20 0 GDADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@H+](C)C[C@@H](O)C[NH3+] ZINC000415068246 531465581 /nfs/dbraw/zinc/46/55/81/531465581.db2.gz MBDQASACFYKLIA-ZDUSSCGKSA-N 2 2 389.290 1.451 20 0 GDADLP CCOC(=O)COc1c(Br)cc(C)cc1C[N@@H+](C)C[C@@H](O)C[NH3+] ZINC000415068246 531465586 /nfs/dbraw/zinc/46/55/86/531465586.db2.gz MBDQASACFYKLIA-ZDUSSCGKSA-N 2 2 389.290 1.451 20 0 GDADLP Cn1ncc(Br)c1C(=O)NCC1([NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000581529251 531495635 /nfs/dbraw/zinc/49/56/35/531495635.db2.gz YFWUUQWZQHSZAU-UHFFFAOYSA-N 2 2 398.349 1.863 20 0 GDADLP [NH3+][C@@H]1C[C@H]2C[N@@H+]([C@@H]3CCN(c4ccc(Cl)c(Cl)c4)C3=O)CCN2C1=O ZINC000583332986 531572641 /nfs/dbraw/zinc/57/26/41/531572641.db2.gz BBJBYVFJRWFXAN-NILFDRSVSA-N 2 2 383.279 1.343 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662351033 531674646 /nfs/dbraw/zinc/67/46/46/531674646.db2.gz HTUNZBUZXABYSY-CZUORRHYSA-N 2 2 384.318 1.922 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2ccccc2Br)C1 ZINC000662351033 531674656 /nfs/dbraw/zinc/67/46/56/531674656.db2.gz HTUNZBUZXABYSY-CZUORRHYSA-N 2 2 384.318 1.922 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000640049365 531717980 /nfs/dbraw/zinc/71/79/80/531717980.db2.gz LUJVFLLSKWSEQI-CYBMUJFWSA-N 2 2 390.311 1.439 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH+](C)CC1)C[C@@H](O)COc1c(Cl)cccc1Cl ZINC000640049365 531717985 /nfs/dbraw/zinc/71/79/85/531717985.db2.gz LUJVFLLSKWSEQI-CYBMUJFWSA-N 2 2 390.311 1.439 20 0 GDADLP CNS(=O)(=O)CC[N@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000621295001 531742909 /nfs/dbraw/zinc/74/29/09/531742909.db2.gz VEIKGWNYVAMFBJ-UHFFFAOYSA-N 2 2 391.291 1.290 20 0 GDADLP CNS(=O)(=O)CC[N@@H+](CCn1cc[nH+]c1)Cc1ccc(Br)o1 ZINC000621295001 531742915 /nfs/dbraw/zinc/74/29/15/531742915.db2.gz VEIKGWNYVAMFBJ-UHFFFAOYSA-N 2 2 391.291 1.290 20 0 GDADLP [NH3+]C[C@@H]1CN(C(=O)NCc2cn3cc(Br)ccc3[nH+]2)CCCO1 ZINC000417226738 531762075 /nfs/dbraw/zinc/76/20/75/531762075.db2.gz UTWQBPGVCKLHIX-CYBMUJFWSA-N 2 2 382.262 1.356 20 0 GDADLP Cn1cc([C@@H]2C[N@H+](CCC(=O)Nc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000562969784 531792713 /nfs/dbraw/zinc/79/27/13/531792713.db2.gz IKKSCMZQDJDFEM-JKSUJKDBSA-N 2 2 392.301 1.938 20 0 GDADLP Cn1cc([C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Br)c3)C[C@H]2[NH3+])cn1 ZINC000562969784 531792722 /nfs/dbraw/zinc/79/27/22/531792722.db2.gz IKKSCMZQDJDFEM-JKSUJKDBSA-N 2 2 392.301 1.938 20 0 GDADLP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000647956139 531907319 /nfs/dbraw/zinc/90/73/19/531907319.db2.gz DXEAWTDJJDDVOV-OAHLLOKOSA-N 2 2 375.560 1.192 20 0 GDADLP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(NS(=O)(=O)c2cccs2)CC1 ZINC000647956139 531907324 /nfs/dbraw/zinc/90/73/24/531907324.db2.gz DXEAWTDJJDDVOV-OAHLLOKOSA-N 2 2 375.560 1.192 20 0 GDADLP CN(CCC[N@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1)CC[NH+](C)C ZINC000425462474 532140018 /nfs/dbraw/zinc/14/00/18/532140018.db2.gz WKKHFBPXBDGHNU-UHFFFAOYSA-N 2 2 376.592 1.314 20 0 GDADLP CN(CCC[N@@H+](C)Cc1ccc(S(=O)(=O)N(C)C)s1)CC[NH+](C)C ZINC000425462474 532140023 /nfs/dbraw/zinc/14/00/23/532140023.db2.gz WKKHFBPXBDGHNU-UHFFFAOYSA-N 2 2 376.592 1.314 20 0 GDADLP C[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000275334701 532287920 /nfs/dbraw/zinc/28/79/20/532287920.db2.gz WMNPITBFRHJWFG-INIZCTEOSA-N 2 2 397.317 1.071 20 0 GDADLP C[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000275334701 532287921 /nfs/dbraw/zinc/28/79/21/532287921.db2.gz WMNPITBFRHJWFG-INIZCTEOSA-N 2 2 397.317 1.071 20 0 GDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736237013 598716356 /nfs/dbraw/zinc/71/63/56/598716356.db2.gz NJQORSJLMHEAOB-HOTGVXAUSA-N 2 2 387.507 1.996 20 0 GDADLP CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000736853694 598743678 /nfs/dbraw/zinc/74/36/78/598743678.db2.gz ZOHMSINNICSIKU-SFHVURJKSA-N 2 2 383.500 1.036 20 0 GDADLP CN(C(=O)Cc1ccc(-c2nn[nH]n2)cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000736853694 598743680 /nfs/dbraw/zinc/74/36/80/598743680.db2.gz ZOHMSINNICSIKU-SFHVURJKSA-N 2 2 383.500 1.036 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N[C@@H](C)[C@H](C)[NH+]3CCOCC3)c2c1 ZINC000822195334 599528920 /nfs/dbraw/zinc/52/89/20/599528920.db2.gz PBIQCWHAPWGJJG-GJZGRUSLSA-N 2 2 381.484 1.975 20 0 GDADLP C[C@@H](O)C[NH+]1CCC(CN(C)c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000820479954 599532706 /nfs/dbraw/zinc/53/27/06/599532706.db2.gz DJGDQPVVTHWXMS-CQSZACIVSA-N 2 2 381.484 1.944 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410545 607478007 /nfs/dbraw/zinc/47/80/07/607478007.db2.gz QFNFODPXNMUSOU-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410545 607478008 /nfs/dbraw/zinc/47/80/08/607478008.db2.gz QFNFODPXNMUSOU-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410545 607478009 /nfs/dbraw/zinc/47/80/09/607478009.db2.gz QFNFODPXNMUSOU-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1ccc(-c2nn[nH]n2)cc1 ZINC000826410545 607478010 /nfs/dbraw/zinc/47/80/10/607478010.db2.gz QFNFODPXNMUSOU-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460387 /nfs/dbraw/zinc/46/03/87/604460387.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2[nH+]cnc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460390 /nfs/dbraw/zinc/46/03/90/604460390.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@@H](Nc2nc[nH+]c(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460393 /nfs/dbraw/zinc/46/03/93/604460393.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@@H](Nc2nc[nH+]c(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460397 /nfs/dbraw/zinc/46/03/97/604460397.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460399 /nfs/dbraw/zinc/46/03/99/604460399.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@@H](Nc2[nH+]cnc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460402 /nfs/dbraw/zinc/46/04/02/604460402.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CC[N@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460404 /nfs/dbraw/zinc/46/04/04/604460404.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@@H]1C[C@H](Nc2nc[nH+]c(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2C(=O)[O-])CC[NH+]1C ZINC000828183571 604460406 /nfs/dbraw/zinc/46/04/06/604460406.db2.gz JDQTUHMVLAOTGS-TUVASFSCSA-N 2 2 376.505 1.964 20 0 GDADLP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cc(F)ccc2-c2nn[nH]n2)CC1 ZINC000820683723 607059786 /nfs/dbraw/zinc/05/97/86/607059786.db2.gz GKFFCTUBNNLDPG-HOTGVXAUSA-N 2 2 387.507 1.996 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716747 607097781 /nfs/dbraw/zinc/09/77/81/607097781.db2.gz KUMOHJJLDKYCTI-KEYYUXOJSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716747 607097782 /nfs/dbraw/zinc/09/77/82/607097782.db2.gz KUMOHJJLDKYCTI-KEYYUXOJSA-N 2 2 380.456 1.973 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(N3CC[NH+]([C@@H]4CCOC4)CC3)c2c1 ZINC000826263708 607848924 /nfs/dbraw/zinc/84/89/24/607848924.db2.gz MXVAKJVGDMGKJM-OAHLLOKOSA-N 2 2 379.468 1.943 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000826169381 608361760 /nfs/dbraw/zinc/36/17/60/608361760.db2.gz QQHPWZQODJERRT-GOSISDBHSA-N 2 2 385.516 1.477 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826389555 608436374 /nfs/dbraw/zinc/43/63/74/608436374.db2.gz ATFYVJVHHWOXAX-QGZVFWFLSA-N 2 2 392.467 1.333 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1C1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000826389555 608436375 /nfs/dbraw/zinc/43/63/75/608436375.db2.gz ATFYVJVHHWOXAX-QGZVFWFLSA-N 2 2 392.467 1.333 20 0 GDADLP C[N@H+](CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1)Cc1ccccc1 ZINC000825937641 608682521 /nfs/dbraw/zinc/68/25/21/608682521.db2.gz FNYZAYIKAVHYHL-UHFFFAOYSA-N 2 2 381.484 1.709 20 0 GDADLP C[N@@H+](CCN1CC[NH+](Cc2ccc(-c3nn[nH]n3)o2)CC1)Cc1ccccc1 ZINC000825937641 608682523 /nfs/dbraw/zinc/68/25/23/608682523.db2.gz FNYZAYIKAVHYHL-UHFFFAOYSA-N 2 2 381.484 1.709 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(-c4nn[nH]n4)s3)CC2)CC1 ZINC000824297291 608742223 /nfs/dbraw/zinc/74/22/23/608742223.db2.gz SNFAQJQLGBQDCW-UHFFFAOYSA-N 2 2 375.546 1.919 20 0 GDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586042 609141204 /nfs/dbraw/zinc/14/12/04/609141204.db2.gz WMBBVKSWFRIQEG-TZMCWYRMSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824586042 609141205 /nfs/dbraw/zinc/14/12/05/609141205.db2.gz WMBBVKSWFRIQEG-TZMCWYRMSA-N 2 2 375.452 1.244 20 0 GDADLP CS[C@@H]1CN(CC(=O)N2CC[NH+](Cc3cccs3)CC2)C[C@@H]1[NH+](C)C ZINC000537288943 650288569 /nfs/dbraw/zinc/28/85/69/650288569.db2.gz CHFXQYDDRIHYIZ-DLBZAZTESA-N 2 2 382.599 1.370 20 0 GDADLP C[C@@H](CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)CN1CC[NH+](C)CC1 ZINC000566559768 650855343 /nfs/dbraw/zinc/85/53/43/650855343.db2.gz WLVNQDABNXYPMC-KBXCAEBGSA-N 2 2 397.361 1.623 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000042229167 644331103 /nfs/dbraw/zinc/33/11/03/644331103.db2.gz LZPOGAGAQDHZJL-DZGCQCFKSA-N 2 2 386.949 1.778 20 0 GDADLP Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000042229167 644331110 /nfs/dbraw/zinc/33/11/10/644331110.db2.gz LZPOGAGAQDHZJL-DZGCQCFKSA-N 2 2 386.949 1.778 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000470010755 647719632 /nfs/dbraw/zinc/71/96/32/647719632.db2.gz ZONZTFMVWNNYKC-UHFFFAOYSA-N 2 2 392.244 1.914 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)F)c(Br)c1 ZINC000470010755 647719634 /nfs/dbraw/zinc/71/96/34/647719634.db2.gz ZONZTFMVWNNYKC-UHFFFAOYSA-N 2 2 392.244 1.914 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664668 648532283 /nfs/dbraw/zinc/53/22/83/648532283.db2.gz PETSKRSRQWATDT-HOTGVXAUSA-N 2 2 390.285 1.379 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Br)cc4)c3)CCN2C1=O ZINC000516664668 648532288 /nfs/dbraw/zinc/53/22/88/648532288.db2.gz PETSKRSRQWATDT-HOTGVXAUSA-N 2 2 390.285 1.379 20 0 GDADLP C[N@@H+]1CCC[C@@H]1CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595943799 652428453 /nfs/dbraw/zinc/42/84/53/652428453.db2.gz RXONKSYKNWZRKB-MRVPVSSYSA-N 2 2 391.278 1.780 20 0 GDADLP C[N@H+]1CCC[C@@H]1CNC(=O)c1sc2c(c1I)C[NH2+]C2 ZINC000595943799 652428455 /nfs/dbraw/zinc/42/84/55/652428455.db2.gz RXONKSYKNWZRKB-MRVPVSSYSA-N 2 2 391.278 1.780 20 0 GDADLP C[C@H]([NH2+]CC(=O)N1CC[NH+](C)CC1)c1ccc(I)cc1 ZINC000610805633 652893917 /nfs/dbraw/zinc/89/39/17/652893917.db2.gz MJEMXFLAOMFGJR-LBPRGKRZSA-N 2 2 387.265 1.716 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]c(NC(=O)c3c[nH]c(=O)c(Br)c3)c2)CC1 ZINC000634196136 653488227 /nfs/dbraw/zinc/48/82/27/653488227.db2.gz MLLMZKCFGLRSES-UHFFFAOYSA-N 2 2 392.257 1.949 20 0 GDADLP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784178 653600472 /nfs/dbraw/zinc/60/04/72/653600472.db2.gz IRRHVLKVOQGJRB-KRWDZBQOSA-N 2 2 377.286 1.985 20 0 GDADLP C[N@H+]1CC[C@]2(CC[NH+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784178 653600473 /nfs/dbraw/zinc/60/04/73/653600473.db2.gz IRRHVLKVOQGJRB-KRWDZBQOSA-N 2 2 377.286 1.985 20 0 GDADLP C[NH+]1CC[C@]2(CC[N@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784178 653600474 /nfs/dbraw/zinc/60/04/74/653600474.db2.gz IRRHVLKVOQGJRB-KRWDZBQOSA-N 2 2 377.286 1.985 20 0 GDADLP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cc(=O)n4cc(Br)ccc4n3)C2)C1 ZINC000644784178 653600475 /nfs/dbraw/zinc/60/04/75/653600475.db2.gz IRRHVLKVOQGJRB-KRWDZBQOSA-N 2 2 377.286 1.985 20 0 GDADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1C(=O)c1sc2c(c1Br)C[NH2+]C2 ZINC000659308754 654221584 /nfs/dbraw/zinc/22/15/84/654221584.db2.gz DYNZMCTVDOJANM-JTQLQIEISA-N 2 2 396.314 1.634 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662260371 654290974 /nfs/dbraw/zinc/29/09/74/654290974.db2.gz KPXTXOHOCZCLGW-JSGCOSHPSA-N 2 2 383.290 1.483 20 0 GDADLP O=C(Nc1ccc(Br)cn1)[C@H]1CCC[N@@H+](C[C@@H]2C[NH2+]CCO2)C1 ZINC000662260371 654290981 /nfs/dbraw/zinc/29/09/81/654290981.db2.gz KPXTXOHOCZCLGW-JSGCOSHPSA-N 2 2 383.290 1.483 20 0 GDADLP O=C(c1ccc(Br)cc1)N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662253697 654291237 /nfs/dbraw/zinc/29/12/37/654291237.db2.gz JWTURRGSAHNULY-MRXNPFEDSA-N 2 2 394.313 1.728 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000664470597 654381012 /nfs/dbraw/zinc/38/10/12/654381012.db2.gz FICPZXTWMJZAHA-UHFFFAOYSA-N 2 2 387.322 1.837 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)NCc1ccc(O)c(Br)c1 ZINC000664470597 654381014 /nfs/dbraw/zinc/38/10/14/654381014.db2.gz FICPZXTWMJZAHA-UHFFFAOYSA-N 2 2 387.322 1.837 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)CC1 ZINC000762589418 655170955 /nfs/dbraw/zinc/17/09/55/655170955.db2.gz SSYLLHFRBLEBAV-ORQFMDKSSA-N 2 2 384.615 1.834 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@@H]4SCCS[C@@H]34)C2)CC1 ZINC000762589418 655170959 /nfs/dbraw/zinc/17/09/59/655170959.db2.gz SSYLLHFRBLEBAV-ORQFMDKSSA-N 2 2 384.615 1.834 20 0 GDADLP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1S(=O)(=O)C(F)F ZINC000863542196 655875203 /nfs/dbraw/zinc/87/52/03/655875203.db2.gz TUOXIOCZNPEKLK-NSHDSACASA-N 2 2 378.441 1.850 20 0 GDADLP O=C1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccc(Br)cc1 ZINC000866670072 655952983 /nfs/dbraw/zinc/95/29/83/655952983.db2.gz UADBBJQYNOZZNV-INIZCTEOSA-N 2 2 394.313 1.614 20 0 GDADLP O=C1C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccc(Br)cc1 ZINC000866670072 655952984 /nfs/dbraw/zinc/95/29/84/655952984.db2.gz UADBBJQYNOZZNV-INIZCTEOSA-N 2 2 394.313 1.614 20 0 GDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870895919 656254202 /nfs/dbraw/zinc/25/42/02/656254202.db2.gz OBGVDFHLSRZJGI-MLGOLLRUSA-N 2 2 398.301 1.545 20 0 GDADLP [NH3+][C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc(Br)c1 ZINC000870945682 656258321 /nfs/dbraw/zinc/25/83/21/656258321.db2.gz MIYRHQDJOPMGEU-JCYILVPMSA-N 2 2 395.345 1.782 20 0 GDADLP [NH3+][C@H](C(=O)NC1CCC([NH+]2CCNCC2)CC1)c1cccc(Br)c1 ZINC000870945682 656258327 /nfs/dbraw/zinc/25/83/27/656258327.db2.gz MIYRHQDJOPMGEU-JCYILVPMSA-N 2 2 395.345 1.782 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000872256245 656321722 /nfs/dbraw/zinc/32/17/22/656321722.db2.gz QYSJBWNJYSWGBI-GLQYFDAESA-N 2 2 382.258 1.522 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cc(O)ccc2Br)C1 ZINC000872256245 656321724 /nfs/dbraw/zinc/32/17/24/656321724.db2.gz QYSJBWNJYSWGBI-GLQYFDAESA-N 2 2 382.258 1.522 20 0 GDADLP Cn1ncc(I)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873275042 656390241 /nfs/dbraw/zinc/39/02/41/656390241.db2.gz BOQISSYJYNTSAT-KGYLQXTDSA-N 2 2 390.269 1.271 20 0 GDADLP Cc1cc(Br)cn2cc(CCN3C(=O)N[C@@H](C[NH+](C)C)C3=O)[nH+]c12 ZINC000924757051 656673222 /nfs/dbraw/zinc/67/32/22/656673222.db2.gz QAIGCDJQUAKPMZ-ZDUSSCGKSA-N 2 2 394.273 1.430 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000877652425 656685700 /nfs/dbraw/zinc/68/57/00/656685700.db2.gz VIDLLGYLNMNJBF-HNNXBMFYSA-N 2 2 398.301 1.665 20 0 GDADLP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000877652425 656685705 /nfs/dbraw/zinc/68/57/05/656685705.db2.gz VIDLLGYLNMNJBF-HNNXBMFYSA-N 2 2 398.301 1.665 20 0 GDADLP CN(c1ccc2nnc(Br)n2n1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000881973738 657008566 /nfs/dbraw/zinc/00/85/66/657008566.db2.gz QNDMOIMUUKLYNA-CYBMUJFWSA-N 2 2 394.321 1.492 20 0 GDADLP CN(c1ccc2nnc(Br)n2n1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000881973738 657008570 /nfs/dbraw/zinc/00/85/70/657008570.db2.gz QNDMOIMUUKLYNA-CYBMUJFWSA-N 2 2 394.321 1.492 20 0 GDADLP Cn1nc(Br)nc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000894142923 658510876 /nfs/dbraw/zinc/51/08/76/658510876.db2.gz QCBWEDGVKMPFAZ-GFCCVEGCSA-N 2 2 399.362 1.717 20 0 GDADLP C[NH+](C)Cc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)c2c1OC(F)(F)O2 ZINC000894611839 658591061 /nfs/dbraw/zinc/59/10/61/658591061.db2.gz WADFHGQLWJAURN-UHFFFAOYSA-N 2 2 376.425 1.737 20 0 GDADLP Cc1cnc(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903562168 659341618 /nfs/dbraw/zinc/34/16/18/659341618.db2.gz FPEWCQPPTCCSJK-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP Cc1cnc(Cl)c(S(=O)(=O)N2C[C@H]3CC[C@@H](C2)[N@@H+]3C2CC[NH2+]CC2)c1 ZINC000903562168 659341624 /nfs/dbraw/zinc/34/16/24/659341624.db2.gz FPEWCQPPTCCSJK-GASCZTMLSA-N 2 2 384.933 1.633 20 0 GDADLP Cc1c[nH+]c(N2CCc3onc(C(=O)NCC[NH+](C)C)c3C2)nc1N1CCCC1 ZINC001164747923 720944415 /nfs/dbraw/zinc/94/44/15/720944415.db2.gz DTBOHIWBKFWQNK-UHFFFAOYSA-N 2 2 399.499 1.227 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164769133 721082929 /nfs/dbraw/zinc/08/29/29/721082929.db2.gz OIGYTJLYZHCMBP-ROUUACIJSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164769133 721082938 /nfs/dbraw/zinc/08/29/38/721082938.db2.gz OIGYTJLYZHCMBP-ROUUACIJSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1ccc2c1nc[nH+]c2N1CC[C@]2(C1)CCC[C@H](C[NH+]1CCN(C)CC1)O2 ZINC001164886699 721391521 /nfs/dbraw/zinc/39/15/21/721391521.db2.gz FMXUZFIABQLNPG-UTKZUKDTSA-N 2 2 384.528 1.734 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC2(CCCN2c2nc(N3CCCCC3)cc[nH+]2)CC1 ZINC001165011361 721741815 /nfs/dbraw/zinc/74/18/15/721741815.db2.gz VYUVQIRBUOJFIS-UHFFFAOYSA-N 2 2 386.544 1.990 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@@H]4C(=O)N(c5cccnc5)C[C@@H]4C3)[nH+]2)CC1 ZINC001165019209 721791338 /nfs/dbraw/zinc/79/13/38/721791338.db2.gz JVPYIOVNCSCMJA-WMZOPIPTSA-N 2 2 378.480 1.328 20 0 GDADLP C[NH+]1CCN(c2cccc(N3CC[C@H]4[C@H]3CCN4C(=O)c3cscn3)[nH+]2)CC1 ZINC001164966371 722064932 /nfs/dbraw/zinc/06/49/32/722064932.db2.gz RPUIJWDQRRZYJS-SJORKVTESA-N 2 2 398.536 1.783 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705105 944873586 /nfs/dbraw/zinc/87/35/86/944873586.db2.gz FMCJVMMANCAIKK-IAGOWNOFSA-N 2 2 397.483 1.702 20 0 GDADLP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](C[C@@H](O)COc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736705105 944873590 /nfs/dbraw/zinc/87/35/90/944873590.db2.gz FMCJVMMANCAIKK-IAGOWNOFSA-N 2 2 397.483 1.702 20 0 GDADLP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)[C@@H](C)C1 ZINC000823972419 946530780 /nfs/dbraw/zinc/53/07/80/946530780.db2.gz ANPZAUHZQPGBPD-YWZLYKJASA-N 2 2 397.527 1.678 20 0 GDADLP CCC(=O)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1 ZINC000825033971 947050269 /nfs/dbraw/zinc/05/02/69/947050269.db2.gz BKBVSEXSERETEJ-SFHVURJKSA-N 2 2 383.500 1.432 20 0 GDADLP CS[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227276 947667734 /nfs/dbraw/zinc/66/77/34/947667734.db2.gz OQKFYYLRQSTAGH-GUYCJALGSA-N 2 2 376.530 1.533 20 0 GDADLP O=C(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)NCC(F)(F)F ZINC000826412159 948249777 /nfs/dbraw/zinc/24/97/77/948249777.db2.gz DIODWXDLNCLCDM-UHFFFAOYSA-N 2 2 397.405 1.099 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+][C@H]2CCO[C@]3(CCOC3)C2)CC1 ZINC000826513802 948438568 /nfs/dbraw/zinc/43/85/68/948438568.db2.gz WKFAOJAUUIVAIM-PZJWPPBQSA-N 2 2 398.511 1.759 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC([NH2+]CCCN2CCOCC2)CC1 ZINC000826514351 948440482 /nfs/dbraw/zinc/44/04/82/948440482.db2.gz OSTALKJTOCDLEY-UHFFFAOYSA-N 2 2 385.516 1.143 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574433337 948951941 /nfs/dbraw/zinc/95/19/41/948951941.db2.gz UVUGZHFCLAJGKO-UHFFFAOYSA-N 2 2 382.472 1.435 20 0 GDADLP CC(C)c1[nH+]ccn1CC(=O)NCC[N@@H+](C)Cc1cccc(-c2nn[nH]n2)c1 ZINC001574433337 948951954 /nfs/dbraw/zinc/95/19/54/948951954.db2.gz UVUGZHFCLAJGKO-UHFFFAOYSA-N 2 2 382.472 1.435 20 0 GDADLP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575252784 949169329 /nfs/dbraw/zinc/16/93/29/949169329.db2.gz HKOUYZXNPYFHCT-LBPRGKRZSA-N 2 2 389.529 1.349 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263777 949408572 /nfs/dbraw/zinc/40/85/72/949408572.db2.gz JKJCGRBFSOILCC-PXAZEXFGSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C1C[NH+](Cc2cc(-c3nn[nH]n3)ccc2F)C1 ZINC001575263777 949408583 /nfs/dbraw/zinc/40/85/83/949408583.db2.gz JKJCGRBFSOILCC-PXAZEXFGSA-N 2 2 387.463 1.037 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[N@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574476943 949629321 /nfs/dbraw/zinc/62/93/21/949629321.db2.gz MIUUIIVKNSKTAH-ZDUSSCGKSA-N 2 2 388.501 1.666 20 0 GDADLP C[C@@H](CC(=O)N(C)CC[N@@H+](C)Cc1ccc(-c2nn[nH]n2)s1)n1cc[nH+]c1 ZINC001574476943 949629334 /nfs/dbraw/zinc/62/93/34/949629334.db2.gz MIUUIIVKNSKTAH-ZDUSSCGKSA-N 2 2 388.501 1.666 20 0 GDADLP C[C@H](CC(=O)N1CC[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574481981 949816709 /nfs/dbraw/zinc/81/67/09/949816709.db2.gz YHYUZYPNUTYWRQ-OLZOCXBDSA-N 2 2 386.485 1.467 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283271 949860757 /nfs/dbraw/zinc/86/07/57/949860757.db2.gz DXLITYRKPJWICL-LBPRGKRZSA-N 2 2 377.518 1.205 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001575283271 949860775 /nfs/dbraw/zinc/86/07/75/949860775.db2.gz DXLITYRKPJWICL-LBPRGKRZSA-N 2 2 377.518 1.205 20 0 GDADLP C[C@@H](CN(C)C(=O)CCc1c[nH+]cn1C)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574724964 949886673 /nfs/dbraw/zinc/88/66/73/949886673.db2.gz NAGRRKBGTXOGAV-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575285271 949939829 /nfs/dbraw/zinc/93/98/29/949939829.db2.gz MFKNIBNHLFXYPN-CYBMUJFWSA-N 2 2 389.479 1.283 20 0 GDADLP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C1C[NH+](Cc2ccc(-c3nn[nH]n3)c(F)c2)C1 ZINC001575285271 949939848 /nfs/dbraw/zinc/93/98/48/949939848.db2.gz MFKNIBNHLFXYPN-CYBMUJFWSA-N 2 2 389.479 1.283 20 0 GDADLP C[C@H](NC(=O)CCn1cc[nH+]c1)C1C[NH+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575286263 949975131 /nfs/dbraw/zinc/97/51/31/949975131.db2.gz VGIPYMQXXYXWSR-AWEZNQCLSA-N 2 2 380.456 1.090 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492057 950054270 /nfs/dbraw/zinc/05/42/70/950054270.db2.gz IRGCRHAOERKZRB-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574492057 950054293 /nfs/dbraw/zinc/05/42/93/950054293.db2.gz IRGCRHAOERKZRB-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP CC(C)C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)NC(=O)Cc1[nH]cc[nH+]1 ZINC001574153057 950126412 /nfs/dbraw/zinc/12/64/12/950126412.db2.gz MDZMZKBDVLJUFW-INIZCTEOSA-N 2 2 382.472 1.453 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502224 950361741 /nfs/dbraw/zinc/36/17/41/950361741.db2.gz KOWNYIFIDOIZHG-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502224 950361755 /nfs/dbraw/zinc/36/17/55/950361755.db2.gz KOWNYIFIDOIZHG-YOEHRIQHSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@@H](CCNC(=O)C[C@H](C)n1cc[nH+]c1)[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001574508125 950469787 /nfs/dbraw/zinc/46/97/87/950469787.db2.gz IXLYKKATRGTJSY-GJZGRUSLSA-N 2 2 382.472 1.699 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576206224 950565715 /nfs/dbraw/zinc/56/57/15/950565715.db2.gz VQUSZKOOFYMILM-AWEZNQCLSA-N 2 2 389.529 1.351 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC001576206224 950565726 /nfs/dbraw/zinc/56/57/26/950565726.db2.gz VQUSZKOOFYMILM-AWEZNQCLSA-N 2 2 389.529 1.351 20 0 GDADLP CC1CC[NH+](CC(=O)NCCN(c2cc[nH+]cc2-c2nn[nH]n2)C2CC2)CC1 ZINC001576208692 950614805 /nfs/dbraw/zinc/61/48/05/950614805.db2.gz SQKGCMHJGUBYLC-UHFFFAOYSA-N 2 2 384.488 1.079 20 0 GDADLP C[C@@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574771569 950926615 /nfs/dbraw/zinc/92/66/15/950926615.db2.gz GRUUYBYBZMMFNT-LRDDRELGSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[NH+]1C ZINC001574771569 950926630 /nfs/dbraw/zinc/92/66/30/950926630.db2.gz GRUUYBYBZMMFNT-LRDDRELGSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001574771569 950926641 /nfs/dbraw/zinc/92/66/41/950926641.db2.gz GRUUYBYBZMMFNT-LRDDRELGSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@@H]1CCC[N@H+]1C ZINC001574771569 950926651 /nfs/dbraw/zinc/92/66/51/950926651.db2.gz GRUUYBYBZMMFNT-LRDDRELGSA-N 2 2 375.452 1.037 20 0 GDADLP C[C@@H](CNC(=O)CCc1c[nH+]cn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575091636 951780913 /nfs/dbraw/zinc/78/09/13/951780913.db2.gz SYIWCWCBYHPLHD-CQSZACIVSA-N 2 2 382.472 1.075 20 0 GDADLP C[C@@](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)(NC(=O)Cn1cc[nH+]c1)C1CC1 ZINC001575107061 951910956 /nfs/dbraw/zinc/91/09/56/951910956.db2.gz YAZHOSSCYPAGBK-IBGZPJMESA-N 2 2 380.456 1.138 20 0 GDADLP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119909 952497326 /nfs/dbraw/zinc/49/73/26/952497326.db2.gz GWNYDKFHXFZHCB-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119909 952497330 /nfs/dbraw/zinc/49/73/30/952497330.db2.gz GWNYDKFHXFZHCB-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119909 952497334 /nfs/dbraw/zinc/49/73/34/952497334.db2.gz GWNYDKFHXFZHCB-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCC[C@@H]1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571119909 952497338 /nfs/dbraw/zinc/49/73/38/952497338.db2.gz GWNYDKFHXFZHCB-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[C@@H]1CN(C(=O)Cc2[nH]cc[nH+]2)C[C@@H]1C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165666 952753197 /nfs/dbraw/zinc/75/31/97/952753197.db2.gz HKJIGMRTBNZHFX-CJNGLKHVSA-N 2 2 380.456 1.017 20 0 GDADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165583 952753683 /nfs/dbraw/zinc/75/36/83/952753683.db2.gz GBMZODXPEDTVAX-XJKSGUPXSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@H]1C[C@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165583 952753686 /nfs/dbraw/zinc/75/36/86/952753686.db2.gz GBMZODXPEDTVAX-XJKSGUPXSA-N 2 2 380.456 1.302 20 0 GDADLP CC(C)(C(=O)N1CC[C@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)c1c[nH+]c[nH]1 ZINC001571166412 952760649 /nfs/dbraw/zinc/76/06/49/952760649.db2.gz MGPPHHGPJGDDNQ-HNNXBMFYSA-N 2 2 380.456 1.258 20 0 GDADLP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000162381780 530568284 /nfs/dbraw/zinc/56/82/84/530568284.db2.gz AIUUGVHOIIUJEJ-IRXDYDNUSA-N 2 2 396.329 1.721 20 0 GDADLP C[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C[C@H](O)c2ccc(Br)cc2)CC1 ZINC000162381780 530568286 /nfs/dbraw/zinc/56/82/86/530568286.db2.gz AIUUGVHOIIUJEJ-IRXDYDNUSA-N 2 2 396.329 1.721 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2sccc2Br)CN1CC[NH+]1CCOCC1 ZINC000185037534 530835709 /nfs/dbraw/zinc/83/57/09/530835709.db2.gz LXCRFIBFFDFFPL-GFCCVEGCSA-N 2 2 388.331 1.533 20 0 GDADLP C[NH+](C)C1CC[NH+](CCNC(=O)N2CCSC[C@H]2c2nccs2)CC1 ZINC000185606452 530844210 /nfs/dbraw/zinc/84/42/10/530844210.db2.gz ANUMCFIQQJIHAK-HNNXBMFYSA-N 2 2 383.587 1.969 20 0 GDADLP CC(C)[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)NCC(F)(F)F)CC2)CC1 ZINC000130528902 531062093 /nfs/dbraw/zinc/06/20/93/531062093.db2.gz USCKDUNVXNFIPX-UHFFFAOYSA-N 2 2 386.484 1.310 20 0 GDADLP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]12 ZINC000261719401 531097357 /nfs/dbraw/zinc/09/73/57/531097357.db2.gz KAGJXZSNLBGCDL-LERXQTSPSA-N 2 2 385.249 1.899 20 0 GDADLP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CC(=O)Nc3cccc(I)c3)C[C@@H]12 ZINC000261719401 531097360 /nfs/dbraw/zinc/09/73/60/531097360.db2.gz KAGJXZSNLBGCDL-LERXQTSPSA-N 2 2 385.249 1.899 20 0 GDADLP Cc1cc(Br)cn2c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cnc12 ZINC000262187452 531111891 /nfs/dbraw/zinc/11/18/91/531111891.db2.gz XXICPRNPMHAUKL-HNNXBMFYSA-N 2 2 378.318 1.885 20 0 GDADLP Cc1cc(Br)cn2c(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cnc12 ZINC000262187452 531111894 /nfs/dbraw/zinc/11/18/94/531111894.db2.gz XXICPRNPMHAUKL-HNNXBMFYSA-N 2 2 378.318 1.885 20 0 GDADLP Cc1cc(Br)cn2c(CN3CC[C@H](N4CC[NH2+]CC4)C3)c[nH+]c12 ZINC000262187452 531111897 /nfs/dbraw/zinc/11/18/97/531111897.db2.gz XXICPRNPMHAUKL-HNNXBMFYSA-N 2 2 378.318 1.885 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)s2)n1C ZINC000414364995 531444238 /nfs/dbraw/zinc/44/42/38/531444238.db2.gz ZUBYEGJVZVHONP-UHFFFAOYSA-N 2 2 377.923 1.269 20 0 GDADLP COc1cc(Br)c(C[N@@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1O ZINC000486028210 531444431 /nfs/dbraw/zinc/44/44/31/531444431.db2.gz LAGBNTIGPSCXBX-ZDUSSCGKSA-N 2 2 398.301 1.560 20 0 GDADLP COc1cc(Br)c(C[N@H+]2CCC[C@H](N3CC[NH2+]CC3=O)C2)cc1O ZINC000486028210 531444434 /nfs/dbraw/zinc/44/44/34/531444434.db2.gz LAGBNTIGPSCXBX-ZDUSSCGKSA-N 2 2 398.301 1.560 20 0 GDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@@H+]1C ZINC000414364436 531444767 /nfs/dbraw/zinc/44/47/67/531444767.db2.gz ZUMDPGYNQXRYCG-JQWIXIFHSA-N 2 2 376.320 1.669 20 0 GDADLP C[C@H]1C[C@@H]([NH2+]Cc2ccc(S(N)(=O)=O)c(Br)c2)CC[N@H+]1C ZINC000414364436 531444770 /nfs/dbraw/zinc/44/47/70/531444770.db2.gz ZUMDPGYNQXRYCG-JQWIXIFHSA-N 2 2 376.320 1.669 20 0 GDADLP CN(C)S(=O)(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000581625414 531505379 /nfs/dbraw/zinc/50/53/79/531505379.db2.gz GDWKAPOSHMGBNO-CQSZACIVSA-N 2 2 386.484 1.264 20 0 GDADLP O=C(NCc1cn2cc(Br)ccc2[nH+]1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417197423 531757286 /nfs/dbraw/zinc/75/72/86/531757286.db2.gz ASPKIBOIJXELCJ-BXUZGUMPSA-N 2 2 378.274 1.990 20 0 GDADLP C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@H+](C)C[C@H]1C[NH3+] ZINC000562809009 531780767 /nfs/dbraw/zinc/78/07/67/531780767.db2.gz OLDSSAMVPJYMFT-BXUZGUMPSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@H](Cc1cc(Br)ccc1F)NC(=O)N1CC[N@@H+](C)C[C@H]1C[NH3+] ZINC000562809009 531780773 /nfs/dbraw/zinc/78/07/73/531780773.db2.gz OLDSSAMVPJYMFT-BXUZGUMPSA-N 2 2 387.297 1.804 20 0 GDADLP C[N@@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000563101699 531807262 /nfs/dbraw/zinc/80/72/62/531807262.db2.gz MCDIYHHFIUAQPU-LBPRGKRZSA-N 2 2 379.511 1.101 20 0 GDADLP C[N@H+]1CCN(C(=O)Cc2csc(NC(=O)c3cccs3)n2)[C@@H](C[NH3+])C1 ZINC000563101699 531807269 /nfs/dbraw/zinc/80/72/69/531807269.db2.gz MCDIYHHFIUAQPU-LBPRGKRZSA-N 2 2 379.511 1.101 20 0 GDADLP [NH3+]CCOCC[NH+]1CCN(S(=O)(=O)c2cccc(Cl)c2Cl)CC1 ZINC000563154266 531813945 /nfs/dbraw/zinc/81/39/45/531813945.db2.gz JOFGGOATVGORDU-UHFFFAOYSA-N 2 2 382.313 1.275 20 0 GDADLP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000563364539 531830862 /nfs/dbraw/zinc/83/08/62/531830862.db2.gz PADDZVWICCYIHV-SWLSCSKDSA-N 2 2 379.270 1.150 20 0 GDADLP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](CO)c1ccc(Br)c(F)c1 ZINC000563364539 531830867 /nfs/dbraw/zinc/83/08/67/531830867.db2.gz PADDZVWICCYIHV-SWLSCSKDSA-N 2 2 379.270 1.150 20 0 GDADLP COc1cc(Br)c(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000563453514 531844443 /nfs/dbraw/zinc/84/44/43/531844443.db2.gz IGFQTGXWOWBNIV-JTQLQIEISA-N 2 2 387.278 1.573 20 0 GDADLP COc1cc(Br)c(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc1OC ZINC000563453514 531844453 /nfs/dbraw/zinc/84/44/53/531844453.db2.gz IGFQTGXWOWBNIV-JTQLQIEISA-N 2 2 387.278 1.573 20 0 GDADLP CN(C)c1[nH+]cc(C[NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)n1C ZINC000419735191 531963119 /nfs/dbraw/zinc/96/31/19/531963119.db2.gz VSAYLJIZFLIBBL-UHFFFAOYSA-N 2 2 389.884 1.347 20 0 GDADLP CCN1C(=O)[C@H]2C[N@H+](Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000369441502 531965536 /nfs/dbraw/zinc/96/55/36/531965536.db2.gz UPLWWMGWEFAUCI-CYBMUJFWSA-N 2 2 392.257 1.565 20 0 GDADLP CCN1C(=O)[C@H]2C[N@@H+](Cc3c[nH+]c4ccc(Br)cn34)CCN2C1=O ZINC000369441502 531965539 /nfs/dbraw/zinc/96/55/39/531965539.db2.gz UPLWWMGWEFAUCI-CYBMUJFWSA-N 2 2 392.257 1.565 20 0 GDADLP Cc1c(Br)cncc1C[NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1 ZINC000657362414 532005591 /nfs/dbraw/zinc/00/55/91/532005591.db2.gz CAFVLDHVSUKPAT-INIZCTEOSA-N 2 2 383.334 1.649 20 0 GDADLP O=S(=O)(CCNc1cc[nH+]cc1Cl)N1CCN(c2cccc[nH+]2)CC1 ZINC000301508836 532035569 /nfs/dbraw/zinc/03/55/69/532035569.db2.gz JZDMNSSVJDMJRI-UHFFFAOYSA-N 2 2 381.889 1.694 20 0 GDADLP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423109598 532072170 /nfs/dbraw/zinc/07/21/70/532072170.db2.gz NWSZYTVUMYKDFV-NVXWUHKLSA-N 2 2 387.933 1.283 20 0 GDADLP CNC(=O)C[NH+]1CCN(c2cc[nH+]c3cc(OC)c(Br)cc32)CC1 ZINC000425199582 532126451 /nfs/dbraw/zinc/12/64/51/532126451.db2.gz ICZUQIIYXGXNIK-UHFFFAOYSA-N 2 2 393.285 1.874 20 0 GDADLP CN(C(=O)Nc1cc(N2CCOCC2)c(Br)c[nH+]1)C1CC[NH2+]CC1 ZINC000333272830 532227886 /nfs/dbraw/zinc/22/78/86/532227886.db2.gz GJEBUMSORREFJZ-UHFFFAOYSA-N 2 2 398.305 1.896 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430623548 532252744 /nfs/dbraw/zinc/25/27/44/532252744.db2.gz HDKZWQKATMAZQP-OLZOCXBDSA-N 2 2 397.317 1.563 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1Br)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430623548 532252750 /nfs/dbraw/zinc/25/27/50/532252750.db2.gz HDKZWQKATMAZQP-OLZOCXBDSA-N 2 2 397.317 1.563 20 0 GDADLP C[N@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC(C)(C)C[NH3+] ZINC000430599583 532252943 /nfs/dbraw/zinc/25/29/43/532252943.db2.gz WHHUWLMMDJGHJR-UHFFFAOYSA-N 2 2 388.343 1.954 20 0 GDADLP C[N@@H+](CC(=O)N1CCN(c2ncc(Cl)cc2Cl)CC1)CC(C)(C)C[NH3+] ZINC000430599583 532252947 /nfs/dbraw/zinc/25/29/47/532252947.db2.gz WHHUWLMMDJGHJR-UHFFFAOYSA-N 2 2 388.343 1.954 20 0 GDADLP COc1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1Br ZINC000378615976 532293206 /nfs/dbraw/zinc/29/32/06/532293206.db2.gz NGJPRBMJLOTVTI-GFCCVEGCSA-N 2 2 397.317 1.751 20 0 GDADLP COc1ccc(C(=O)N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1Br ZINC000378615976 532293209 /nfs/dbraw/zinc/29/32/09/532293209.db2.gz NGJPRBMJLOTVTI-GFCCVEGCSA-N 2 2 397.317 1.751 20 0 GDADLP C[N@H+](CCN1CC[NH2+]CC1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000387838251 532296231 /nfs/dbraw/zinc/29/62/31/532296231.db2.gz FBSLKHLOUMJGPG-UHFFFAOYSA-N 2 2 390.347 1.060 20 0 GDADLP C[N@@H+](CCN1CC[NH2+]CC1)CCS(=O)(=O)c1ccc(Br)cc1 ZINC000387838251 532296235 /nfs/dbraw/zinc/29/62/35/532296235.db2.gz FBSLKHLOUMJGPG-UHFFFAOYSA-N 2 2 390.347 1.060 20 0 GDADLP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)C1 ZINC000736859450 599079859 /nfs/dbraw/zinc/07/98/59/599079859.db2.gz ZXZIKHPTYXAXEA-QGZVFWFLSA-N 2 2 380.500 1.331 20 0 GDADLP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cn4ccccc4c3-c3nn[nH]n3)CC2)C1 ZINC000736859450 599079862 /nfs/dbraw/zinc/07/98/62/599079862.db2.gz ZXZIKHPTYXAXEA-QGZVFWFLSA-N 2 2 380.500 1.331 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[N@H+]1CCCN(CCC[NH+]2CCOCC2)CC1 ZINC000738405164 599125067 /nfs/dbraw/zinc/12/50/67/599125067.db2.gz MNNYBUKBDYUQJJ-UHFFFAOYSA-N 2 2 385.516 1.097 20 0 GDADLP c1cc(-c2nn[nH]n2)ccc1C[N@@H+]1CCCN(CCC[NH+]2CCOCC2)CC1 ZINC000738405164 599125069 /nfs/dbraw/zinc/12/50/69/599125069.db2.gz MNNYBUKBDYUQJJ-UHFFFAOYSA-N 2 2 385.516 1.097 20 0 GDADLP O=C1[C@@H]([N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292193 598342063 /nfs/dbraw/zinc/34/20/63/598342063.db2.gz YEEAJBQSPIHHEM-IRXDYDNUSA-N 2 2 378.440 1.506 20 0 GDADLP O=C1[C@@H]([N@H+]2CCC[C@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292193 598342065 /nfs/dbraw/zinc/34/20/65/598342065.db2.gz YEEAJBQSPIHHEM-IRXDYDNUSA-N 2 2 378.440 1.506 20 0 GDADLP c1cn(-c2ccccc2C[NH2+]C[C@H]2CNc3c(-c4nn[nH]n4)cnn3C2)c[nH+]1 ZINC000738427388 598525565 /nfs/dbraw/zinc/52/55/65/598525565.db2.gz WBTDGUWHLXMWQU-ZDUSSCGKSA-N 2 2 376.428 1.080 20 0 GDADLP Cc1cccc2c(NC[C@H](C(C)C)[NH+]3CCN(C)CC3)c(-c3nn[nH]n3)c[nH+]c12 ZINC000822336919 599469679 /nfs/dbraw/zinc/46/96/79/599469679.db2.gz UGEZCHOXEIQYJL-GOSISDBHSA-N 2 2 394.527 1.829 20 0 GDADLP CC(C)(C)[C@@H](O)C[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000819898996 599536656 /nfs/dbraw/zinc/53/66/56/599536656.db2.gz LYTMDSZIHVGJTP-KRWDZBQOSA-N 2 2 381.484 1.944 20 0 GDADLP COc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1-c1nn[nH]n1 ZINC000826195260 607492205 /nfs/dbraw/zinc/49/22/05/607492205.db2.gz NDGKOKISLYFVIP-IRXDYDNUSA-N 2 2 399.543 1.866 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000821702562 606098463 /nfs/dbraw/zinc/09/84/63/606098463.db2.gz YCXNZNAXMRYSET-INIZCTEOSA-N 2 2 386.500 1.918 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000821702562 606098465 /nfs/dbraw/zinc/09/84/65/606098465.db2.gz YCXNZNAXMRYSET-INIZCTEOSA-N 2 2 386.500 1.918 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000821702562 606098467 /nfs/dbraw/zinc/09/84/67/606098467.db2.gz YCXNZNAXMRYSET-INIZCTEOSA-N 2 2 386.500 1.918 20 0 GDADLP COc1cc(-c2nn[nH]n2)ccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000821702562 606098468 /nfs/dbraw/zinc/09/84/68/606098468.db2.gz YCXNZNAXMRYSET-INIZCTEOSA-N 2 2 386.500 1.918 20 0 GDADLP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3sccc3-c3nn[nH]n3)C2=O)CC1 ZINC000820127670 606307610 /nfs/dbraw/zinc/30/76/10/606307610.db2.gz MDYKGQDVTVOJOQ-CQSZACIVSA-N 2 2 375.502 1.496 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](CCC2OCCCO2)CC1 ZINC000823798146 606646844 /nfs/dbraw/zinc/64/68/44/606646844.db2.gz UQFJQCDKUDIFFJ-UHFFFAOYSA-N 2 2 395.467 1.690 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716598 607098311 /nfs/dbraw/zinc/09/83/11/607098311.db2.gz JVGHRPNBOKTWGY-KEYYUXOJSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716598 607098312 /nfs/dbraw/zinc/09/83/12/607098312.db2.gz JVGHRPNBOKTWGY-KEYYUXOJSA-N 2 2 380.456 1.973 20 0 GDADLP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)c2cc(S(C)(=O)=O)cs2)CC1 ZINC000535049720 650239534 /nfs/dbraw/zinc/23/95/34/650239534.db2.gz LPLKQDRMFIEGPA-UHFFFAOYSA-N 2 2 380.495 1.551 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NCC[NH+]3CCC3)[nH+]c12 ZINC000544817448 650446230 /nfs/dbraw/zinc/44/62/30/650446230.db2.gz SVJNSAMXEYZPTO-UHFFFAOYSA-N 2 2 380.290 1.953 20 0 GDADLP O=C(NCC[NH2+][C@H](C1CC1)[C@H]1C[NH2+]CCO1)c1cccc(Br)c1 ZINC000422954446 646103297 /nfs/dbraw/zinc/10/32/97/646103297.db2.gz ISTRCZSGSIPRHF-HZPDHXFCSA-N 2 2 382.302 1.536 20 0 GDADLP O=S(=O)(C[C@H](O)C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1cccs1 ZINC000423003258 646107946 /nfs/dbraw/zinc/10/79/46/646107946.db2.gz LHFJLHCIFBTMGI-ZACQAIPSSA-N 2 2 380.535 1.966 20 0 GDADLP C[C@@H](C[C@H]1COCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423095182 646112135 /nfs/dbraw/zinc/11/21/35/646112135.db2.gz DNHLCBLMVPLRSH-AAEUAGOBSA-N 2 2 379.885 1.114 20 0 GDADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)CCn2cc[nH+]c2)CC1 ZINC000572719956 651103420 /nfs/dbraw/zinc/10/34/20/651103420.db2.gz OFGKNZJTFJRWLO-UHFFFAOYSA-N 2 2 393.289 1.821 20 0 GDADLP CN(C)S(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000578694367 651808472 /nfs/dbraw/zinc/80/84/72/651808472.db2.gz SQXQERKYUGIZOE-AWEZNQCLSA-N 2 2 383.543 1.684 20 0 GDADLP CN(C(=O)CCn1cc(Br)cn1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000601479243 652586758 /nfs/dbraw/zinc/58/67/58/652586758.db2.gz SWHFJSCAXHBMCO-MRXNPFEDSA-N 2 2 398.349 1.663 20 0 GDADLP CN(C(=O)CCn1cc(Br)cn1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000601479243 652586759 /nfs/dbraw/zinc/58/67/59/652586759.db2.gz SWHFJSCAXHBMCO-MRXNPFEDSA-N 2 2 398.349 1.663 20 0 GDADLP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)c(S(N)(=O)=O)c1 ZINC000629518666 653168304 /nfs/dbraw/zinc/16/83/04/653168304.db2.gz AQOWKRUEKCNGRQ-SNVBAGLBSA-N 2 2 392.319 1.255 20 0 GDADLP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638594583 653540975 /nfs/dbraw/zinc/54/09/75/653540975.db2.gz JQPFFOCDOIOPAP-HIFRSBDPSA-N 2 2 375.560 1.622 20 0 GDADLP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638594583 653540977 /nfs/dbraw/zinc/54/09/77/653540977.db2.gz JQPFFOCDOIOPAP-HIFRSBDPSA-N 2 2 375.560 1.622 20 0 GDADLP CN(C(=O)c1c(Br)cnn1C)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000648934514 653660699 /nfs/dbraw/zinc/66/06/99/653660699.db2.gz PPNCMFCFXLTQGF-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP CN(C(=O)c1c(Br)cnn1C)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000648934514 653660703 /nfs/dbraw/zinc/66/07/03/653660703.db2.gz PPNCMFCFXLTQGF-ZDUSSCGKSA-N 2 2 384.322 1.423 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(Br)cc1 ZINC000649278963 653666473 /nfs/dbraw/zinc/66/64/73/653666473.db2.gz OVYPGYQRHZZMQY-WMZOPIPTSA-N 2 2 396.329 1.946 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1)N1CCOCC1 ZINC000677236720 654663517 /nfs/dbraw/zinc/66/35/17/654663517.db2.gz UFIATWYDNNXKMA-GJZGRUSLSA-N 2 2 385.555 1.485 20 0 GDADLP O=S(=O)(c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1)N1CCOCC1 ZINC000677236720 654663521 /nfs/dbraw/zinc/66/35/21/654663521.db2.gz UFIATWYDNNXKMA-GJZGRUSLSA-N 2 2 385.555 1.485 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)cc1Br ZINC000682432488 654752936 /nfs/dbraw/zinc/75/29/36/654752936.db2.gz YTIYWACSPYSMPQ-AWEZNQCLSA-N 2 2 397.317 1.660 20 0 GDADLP C[NH+](C)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1Br ZINC000682432488 654752938 /nfs/dbraw/zinc/75/29/38/654752938.db2.gz YTIYWACSPYSMPQ-AWEZNQCLSA-N 2 2 397.317 1.660 20 0 GDADLP CC[NH+]1CCC([N@@H+]2CCCN(C(=O)c3cc(Br)n(C)n3)CC2)CC1 ZINC000817656389 655356184 /nfs/dbraw/zinc/35/61/84/655356184.db2.gz IIYCNRVWMMVOJA-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC[NH+]1CCC([N@H+]2CCCN(C(=O)c3cc(Br)n(C)n3)CC2)CC1 ZINC000817656389 655356186 /nfs/dbraw/zinc/35/61/86/655356186.db2.gz IIYCNRVWMMVOJA-UHFFFAOYSA-N 2 2 398.349 1.815 20 0 GDADLP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(N(S(C)(=O)=O)S(C)(=O)=O)c1 ZINC000817959522 655363086 /nfs/dbraw/zinc/36/30/86/655363086.db2.gz SIYIDGGGVMHWDL-UKRRQHHQSA-N 2 2 391.559 1.436 20 0 GDADLP C[NH+]1CCN(c2ncc(Br)cc2NC(=O)C[NH+]2CCCC2)CC1 ZINC000823410321 655462649 /nfs/dbraw/zinc/46/26/49/655462649.db2.gz SULDNBHSMSJLLO-UHFFFAOYSA-N 2 2 382.306 1.630 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2c(F)cccc2Br)C1 ZINC000866714704 655956309 /nfs/dbraw/zinc/95/63/09/655956309.db2.gz VNXBHXSNEUSKSX-VQISRLSMSA-N 2 2 384.249 1.955 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2c(F)cccc2Br)C1 ZINC000866714704 655956311 /nfs/dbraw/zinc/95/63/11/655956311.db2.gz VNXBHXSNEUSKSX-VQISRLSMSA-N 2 2 384.249 1.955 20 0 GDADLP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[NH+]1CCOCC1 ZINC000867964104 656135959 /nfs/dbraw/zinc/13/59/59/656135959.db2.gz ZUFVOYPNWUYXPS-HZPDHXFCSA-N 2 2 384.318 1.922 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000868290893 656149246 /nfs/dbraw/zinc/14/92/46/656149246.db2.gz VLNRFERKXDQXFU-OAHLLOKOSA-N 2 2 396.333 1.812 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ccc(Br)cn3)C2)CC1 ZINC000868290893 656149255 /nfs/dbraw/zinc/14/92/55/656149255.db2.gz VLNRFERKXDQXFU-OAHLLOKOSA-N 2 2 396.333 1.812 20 0 GDADLP CN(C)C(=O)C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870885051 656251665 /nfs/dbraw/zinc/25/16/65/656251665.db2.gz JKDDPAQZLNUWPG-INIZCTEOSA-N 2 2 397.317 1.118 20 0 GDADLP CS(=O)(=O)N(CC[N@@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151389 656318880 /nfs/dbraw/zinc/31/88/80/656318880.db2.gz KLWBBUHHMPBYGP-HUUCEWRRSA-N 2 2 379.448 1.517 20 0 GDADLP CS(=O)(=O)N(CC[N@H+]1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)Cc1ccccc1 ZINC000872151389 656318884 /nfs/dbraw/zinc/31/88/84/656318884.db2.gz KLWBBUHHMPBYGP-HUUCEWRRSA-N 2 2 379.448 1.517 20 0 GDADLP CN(C(=O)c1cc(N)nc(Br)c1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000874460632 656471760 /nfs/dbraw/zinc/47/17/60/656471760.db2.gz XSGVBXORUHUOLV-CQSZACIVSA-N 2 2 396.333 1.667 20 0 GDADLP CN(C(=O)c1cc(N)nc(Br)c1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000874460632 656471762 /nfs/dbraw/zinc/47/17/62/656471762.db2.gz XSGVBXORUHUOLV-CQSZACIVSA-N 2 2 396.333 1.667 20 0 GDADLP NC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923448287 656553716 /nfs/dbraw/zinc/55/37/16/656553716.db2.gz BCZLSIKZHBKHBB-CABCVRRESA-N 2 2 382.302 1.805 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C[C@H](O)c1cc(Br)no1 ZINC000878311292 656718042 /nfs/dbraw/zinc/71/80/42/656718042.db2.gz HHWVZTMFLOYOAN-ZDUSSCGKSA-N 2 2 375.311 1.428 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C[C@H](O)c1cc(Br)no1 ZINC000878311292 656718044 /nfs/dbraw/zinc/71/80/44/656718044.db2.gz HHWVZTMFLOYOAN-ZDUSSCGKSA-N 2 2 375.311 1.428 20 0 GDADLP [NH3+]CCCN(CC(=O)N1CC[NH+](Cc2ccsc2)CC1)CC(F)(F)F ZINC000883443686 657287072 /nfs/dbraw/zinc/28/70/72/657287072.db2.gz CQBLLEOIJNFBTF-UHFFFAOYSA-N 2 2 378.464 1.605 20 0 GDADLP [NH3+][C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(Br)cc1 ZINC000884225333 657336860 /nfs/dbraw/zinc/33/68/60/657336860.db2.gz OXQCPTMIHVPRRD-INIZCTEOSA-N 2 2 382.302 1.772 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)NC[C@H]3C[C@@H]([NH3+])C3)[nH+]c12 ZINC000891784331 658273128 /nfs/dbraw/zinc/27/31/28/658273128.db2.gz SALUJYWTPNHVEU-BJHJDKERSA-N 2 2 380.290 1.984 20 0 GDADLP C[C@]1(Br)C[C@@H]1C[NH2+]CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000892749918 658347339 /nfs/dbraw/zinc/34/73/39/658347339.db2.gz HGXCDNIJVXRNEV-PBHICJAKSA-N 2 2 381.318 1.883 20 0 GDADLP Cn1nc(Br)nc1CNc1ccc(N2CC[C@H]([NH+](C)C)C2)c[nH+]1 ZINC000894358146 658544321 /nfs/dbraw/zinc/54/43/21/658544321.db2.gz CXLVMVGYEITQIX-LBPRGKRZSA-N 2 2 380.294 1.725 20 0 GDADLP O=S(=O)(c1ccc(Cl)nc1F)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903562421 659341736 /nfs/dbraw/zinc/34/17/36/659341736.db2.gz MSMQDWWHRWXRDN-BETUJISGSA-N 2 2 388.896 1.463 20 0 GDADLP O=S(=O)(c1ccc(Cl)nc1F)N1C[C@H]2CC[C@@H](C1)[N@@H+]2C1CC[NH2+]CC1 ZINC000903562421 659341741 /nfs/dbraw/zinc/34/17/41/659341741.db2.gz MSMQDWWHRWXRDN-BETUJISGSA-N 2 2 388.896 1.463 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4CC[N@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164771780 721153860 /nfs/dbraw/zinc/15/38/60/721153860.db2.gz TXGROHHEZHPMMQ-HUUCEWRRSA-N 2 2 395.467 1.436 20 0 GDADLP COC(=O)c1c[nH]c2nc[nH+]c(N3C[C@H]4CC[N@@H+](Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164771780 721153871 /nfs/dbraw/zinc/15/38/71/721153871.db2.gz TXGROHHEZHPMMQ-HUUCEWRRSA-N 2 2 395.467 1.436 20 0 GDADLP CC1(C)CN(C(=O)Cn2cc[nH+]c2)C[C@H]1[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001571271627 945646965 /nfs/dbraw/zinc/64/69/65/945646965.db2.gz FYJPKKMFTQICPI-CQSZACIVSA-N 2 2 386.485 1.152 20 0 GDADLP O=C(N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001571317244 946604557 /nfs/dbraw/zinc/60/45/57/946604557.db2.gz YVHPFUDKHXTWNX-DLBZAZTESA-N 2 2 392.467 1.016 20 0 GDADLP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@H]1CCc2[nH+]ccn2C1 ZINC001571317244 946604561 /nfs/dbraw/zinc/60/45/61/946604561.db2.gz YVHPFUDKHXTWNX-DLBZAZTESA-N 2 2 392.467 1.016 20 0 GDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824413636 946698190 /nfs/dbraw/zinc/69/81/90/946698190.db2.gz NYBRAFHZZABPMU-KRWDZBQOSA-N 3 2 398.559 1.057 20 0 GDADLP C[C@H]([C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)N1CCOCC1 ZINC000824548072 946790624 /nfs/dbraw/zinc/79/06/24/946790624.db2.gz VAKKHKRJKBQAMS-DLBZAZTESA-N 2 2 399.543 1.530 20 0 GDADLP O=C1[C@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476418 948381125 /nfs/dbraw/zinc/38/11/25/948381125.db2.gz HJSKMMVJTSJZOS-QZTJIDSGSA-N 2 2 392.467 1.896 20 0 GDADLP O=C1[C@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476418 948381134 /nfs/dbraw/zinc/38/11/34/948381134.db2.gz HJSKMMVJTSJZOS-QZTJIDSGSA-N 2 2 392.467 1.896 20 0 GDADLP OC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826507363 948427120 /nfs/dbraw/zinc/42/71/20/948427120.db2.gz NGOQSWGMTQQKDA-OAHLLOKOSA-N 2 2 384.406 1.734 20 0 GDADLP CC(C)(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)NC(=O)Cn1cc[nH+]c1 ZINC001573812734 949620913 /nfs/dbraw/zinc/62/09/13/949620913.db2.gz TWBFTGQCAFRPLW-AWEZNQCLSA-N 2 2 388.501 1.445 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(-c3nn[nH]n3)c2)C1)n1cc[nH+]c1 ZINC001574483523 949824693 /nfs/dbraw/zinc/82/46/93/949824693.db2.gz BHLQCWNYQSDRFH-WMLDXEAASA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191342 950192666 /nfs/dbraw/zinc/19/26/66/950192666.db2.gz FKZUFFJKBFYJAO-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191342 950192680 /nfs/dbraw/zinc/19/26/80/950192680.db2.gz FKZUFFJKBFYJAO-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191342 950192699 /nfs/dbraw/zinc/19/26/99/950192699.db2.gz FKZUFFJKBFYJAO-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N(C)C[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001576191342 950192713 /nfs/dbraw/zinc/19/27/13/950192713.db2.gz FKZUFFJKBFYJAO-KBPBESRZSA-N 2 2 389.529 1.303 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502222 950366985 /nfs/dbraw/zinc/36/69/85/950366985.db2.gz KOWNYIFIDOIZHG-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1)n1cc[nH+]c1 ZINC001574502222 950367005 /nfs/dbraw/zinc/36/70/05/950367005.db2.gz KOWNYIFIDOIZHG-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](C[C@@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001576202558 950431163 /nfs/dbraw/zinc/43/11/63/950431163.db2.gz AVXCLBKLHHWMEZ-HUUCEWRRSA-N 2 2 386.504 1.111 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576206912 950585083 /nfs/dbraw/zinc/58/50/83/950585083.db2.gz ZPSWWRUAWJWTKU-SFHVURJKSA-N 2 2 383.500 1.289 20 0 GDADLP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+]2Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC001576206912 950585105 /nfs/dbraw/zinc/58/51/05/950585105.db2.gz ZPSWWRUAWJWTKU-SFHVURJKSA-N 2 2 383.500 1.289 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1cc[nH+]c1 ZINC001574513486 950609763 /nfs/dbraw/zinc/60/97/63/950609763.db2.gz QSBCASIMTPEFMN-DAYGRLMNSA-N 2 2 394.483 1.794 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2-c2nn[nH]n2)[C@@H]1C)n1cc[nH+]c1 ZINC001574513486 950609784 /nfs/dbraw/zinc/60/97/84/950609784.db2.gz QSBCASIMTPEFMN-DAYGRLMNSA-N 2 2 394.483 1.794 20 0 GDADLP C[C@H](C[NH2+]Cc1cc(F)ccc1-c1nn[nH]n1)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574513715 950612706 /nfs/dbraw/zinc/61/27/06/950612706.db2.gz WJKOCJUBRIGXRO-OLZOCXBDSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F)NC(=O)C[C@H](C)n1cc[nH+]c1 ZINC001574513579 950613619 /nfs/dbraw/zinc/61/36/19/950613619.db2.gz UKZJTVSADFAVGU-OLZOCXBDSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)Cc1[nH]cc[nH+]1)[NH2+]Cc1ccc(-c2nn[nH]n2)c(F)c1 ZINC001574521443 950779096 /nfs/dbraw/zinc/77/90/96/950779096.db2.gz GGELCSURKIJTMR-NEPJUHHUSA-N 2 2 386.435 1.345 20 0 GDADLP C[C@H](CNC(=O)[C@H](C)Cc1c[nH]c[nH+]1)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575090126 951756615 /nfs/dbraw/zinc/75/66/15/951756615.db2.gz JKIQCCXHEWPZBA-UONOGXRCSA-N 2 2 382.472 1.311 20 0 GDADLP C[C@@](C[NH2+]Cc1ccccc1-c1nn[nH]n1)(NC(=O)Cc1c[nH]c[nH+]1)C1CC1 ZINC001575115221 951964589 /nfs/dbraw/zinc/96/45/89/951964589.db2.gz WEAQNBRSMSQJOB-IBGZPJMESA-N 2 2 380.456 1.207 20 0 GDADLP C[C@@H](CC(=O)N1CC[C@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571184301 952890364 /nfs/dbraw/zinc/89/03/64/952890364.db2.gz VWBWVHGVOUXIQU-KBPBESRZSA-N 2 2 381.444 1.147 20 0 GDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252939 953334304 /nfs/dbraw/zinc/33/43/04/953334304.db2.gz ZKRXAZCRCBPYKD-YOEHRIQHSA-N 2 2 384.488 1.173 20 0 GDADLP CC[N@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1 ZINC001571252939 953334306 /nfs/dbraw/zinc/33/43/06/953334306.db2.gz ZKRXAZCRCBPYKD-YOEHRIQHSA-N 2 2 384.488 1.173 20 0 GDADLP O=C1C[C@H]([NH2+]Cc2cc(O)ccc2Br)CN1CC[NH+]1CCOCC1 ZINC000178904836 530730400 /nfs/dbraw/zinc/73/04/00/530730400.db2.gz BBOWJFHTNKOFCL-AWEZNQCLSA-N 2 2 398.301 1.177 20 0 GDADLP C[C@@H]([NH2+]CCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)c1cncs1 ZINC000127168046 531026588 /nfs/dbraw/zinc/02/65/88/531026588.db2.gz USWOFBGMMMJNGT-CQSZACIVSA-N 2 2 381.527 1.341 20 0 GDADLP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130513370 531061678 /nfs/dbraw/zinc/06/16/78/531061678.db2.gz QGNKYJJKVLEFFK-YRGRVCCFSA-N 2 2 386.484 1.166 20 0 GDADLP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000130513370 531061682 /nfs/dbraw/zinc/06/16/82/531061682.db2.gz QGNKYJJKVLEFFK-YRGRVCCFSA-N 2 2 386.484 1.166 20 0 GDADLP CC(C)(CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000261761027 531098132 /nfs/dbraw/zinc/09/81/32/531098132.db2.gz NLOGADSNKJSINL-KRWDZBQOSA-N 2 2 384.318 1.850 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000261856984 531100672 /nfs/dbraw/zinc/10/06/72/531100672.db2.gz WLDHDVQTDPZCOR-MZMPZRCHSA-N 2 2 398.345 1.927 20 0 GDADLP CC[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[N@H+]1C[C@@H](C)O ZINC000261856984 531100675 /nfs/dbraw/zinc/10/06/75/531100675.db2.gz WLDHDVQTDPZCOR-MZMPZRCHSA-N 2 2 398.345 1.927 20 0 GDADLP C[C@@]([NH3+])(C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000261884250 531101292 /nfs/dbraw/zinc/10/12/92/531101292.db2.gz UMGPQAASOYKXFJ-KSSFIOAISA-N 2 2 396.329 1.804 20 0 GDADLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414248949 531436717 /nfs/dbraw/zinc/43/67/17/531436717.db2.gz FATSMYZEKKWKNQ-CQSZACIVSA-N 2 2 375.922 1.434 20 0 GDADLP CC(C)C[N@H+]1CCO[C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000414248949 531436722 /nfs/dbraw/zinc/43/67/22/531436722.db2.gz FATSMYZEKKWKNQ-CQSZACIVSA-N 2 2 375.922 1.434 20 0 GDADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC[N@H+](C)C1 ZINC000414491867 531458516 /nfs/dbraw/zinc/45/85/16/531458516.db2.gz QPMKKJLFWYDBMQ-CYBMUJFWSA-N 2 2 395.301 1.942 20 0 GDADLP COC(=O)[C@H]1CN(Cc2c[nH+]c3c(C)cc(Br)cn23)CC[N@@H+](C)C1 ZINC000414491867 531458518 /nfs/dbraw/zinc/45/85/18/531458518.db2.gz QPMKKJLFWYDBMQ-CYBMUJFWSA-N 2 2 395.301 1.942 20 0 GDADLP C[C@H](C(=O)Nc1cccc(Br)c1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489886727 531512370 /nfs/dbraw/zinc/51/23/70/531512370.db2.gz UCEDYEXOFHVWEK-CJNGLKHVSA-N 2 2 381.318 1.756 20 0 GDADLP CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000489904959 531513674 /nfs/dbraw/zinc/51/36/74/531513674.db2.gz DMWIRGYYDGRPEU-KRWDZBQOSA-N 2 2 385.339 1.931 20 0 GDADLP CC[NH+]1CCN(CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662384772 531676721 /nfs/dbraw/zinc/67/67/21/531676721.db2.gz WMPXYIHLHNGSLD-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP CCN1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662384772 531676728 /nfs/dbraw/zinc/67/67/28/531676728.db2.gz WMPXYIHLHNGSLD-MRXNPFEDSA-N 2 2 383.334 1.593 20 0 GDADLP COCC[NH2+]CCNC(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000418009748 531797667 /nfs/dbraw/zinc/79/76/67/531797667.db2.gz FTBWXRZWZOUTCZ-UHFFFAOYSA-N 2 2 384.278 1.440 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=O)N3CC[C@H](C[NH3+])C3)[nH+]c12 ZINC000418021247 531798834 /nfs/dbraw/zinc/79/88/34/531798834.db2.gz PDBFVCDOIIEASV-GFCCVEGCSA-N 2 2 380.290 1.938 20 0 GDADLP C[N@@H+]1CCN(C(=O)[C@H]2CCN(c3cc(Cl)ccc3Cl)C2=O)[C@H](C[NH3+])C1 ZINC000563534884 531849386 /nfs/dbraw/zinc/84/93/86/531849386.db2.gz UXJLYWZJPPITPA-CHWSQXEVSA-N 2 2 385.295 1.448 20 0 GDADLP C[C@@H]1C[NH+](C[C@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@@H](C)O1 ZINC000563704634 531862302 /nfs/dbraw/zinc/86/23/02/531862302.db2.gz ADIDKDUREPFBIV-PBFPGSCMSA-N 2 2 399.329 1.944 20 0 GDADLP CC[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938347 531907569 /nfs/dbraw/zinc/90/75/69/531907569.db2.gz KKAHQORXKIHLDP-TZMCWYRMSA-N 2 2 397.317 1.563 20 0 GDADLP CC[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@H]1[NH3+] ZINC000647938347 531907573 /nfs/dbraw/zinc/90/75/73/531907573.db2.gz KKAHQORXKIHLDP-TZMCWYRMSA-N 2 2 397.317 1.563 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@@H+](CCOc2cccc(Br)c2)C1 ZINC000647909627 531903479 /nfs/dbraw/zinc/90/34/79/531903479.db2.gz OYNJIJUPTSNXSP-OAHLLOKOSA-N 2 2 382.302 1.724 20 0 GDADLP O=C1C[NH2+]CCN1[C@@H]1CCC[N@H+](CCOc2cccc(Br)c2)C1 ZINC000647909627 531903487 /nfs/dbraw/zinc/90/34/87/531903487.db2.gz OYNJIJUPTSNXSP-OAHLLOKOSA-N 2 2 382.302 1.724 20 0 GDADLP C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@H+](C)C[C@@H]1C[NH3+] ZINC000576849122 532029455 /nfs/dbraw/zinc/02/94/55/532029455.db2.gz LOTVCJFJCGKECO-AAEUAGOBSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@@H](Cc1ccc(F)c(Br)c1)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000576849122 532029459 /nfs/dbraw/zinc/02/94/59/532029459.db2.gz LOTVCJFJCGKECO-AAEUAGOBSA-N 2 2 387.297 1.804 20 0 GDADLP C[C@@H](C[NH2+]Cc1ncc(I)s1)N1CC[NH+](C)CC1 ZINC000286763525 532174143 /nfs/dbraw/zinc/17/41/43/532174143.db2.gz ZJXXEMNQKFSQRA-JTQLQIEISA-N 2 2 380.299 1.473 20 0 GDADLP O=C(Nc1cc(N2CCOCC2)c(Br)c[nH+]1)N[C@H]1CCC[NH2+]C1 ZINC000333312911 532229127 /nfs/dbraw/zinc/22/91/27/532229127.db2.gz LXKPFZISOTYHFZ-NSHDSACASA-N 2 2 384.278 1.554 20 0 GDADLP C[C@H](NC(=O)C[N@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000430646413 532254534 /nfs/dbraw/zinc/25/45/34/532254534.db2.gz PGWPKOATZDHLAU-LBPRGKRZSA-N 2 2 387.311 1.534 20 0 GDADLP C[C@H](NC(=O)C[N@@H+](C)CC(=O)N1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000430646413 532254539 /nfs/dbraw/zinc/25/45/39/532254539.db2.gz PGWPKOATZDHLAU-LBPRGKRZSA-N 2 2 387.311 1.534 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000430939715 532258494 /nfs/dbraw/zinc/25/84/94/532258494.db2.gz MCTNKGCRRVIGHF-YPMHNXCESA-N 2 2 383.290 1.173 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)NCC(=O)Nc2ccccc2Br)CC[C@@H]1[NH3+] ZINC000430939715 532258498 /nfs/dbraw/zinc/25/84/98/532258498.db2.gz MCTNKGCRRVIGHF-YPMHNXCESA-N 2 2 383.290 1.173 20 0 GDADLP COc1ccc(C(=O)N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)nc1Br ZINC000378615978 532293190 /nfs/dbraw/zinc/29/31/90/532293190.db2.gz NGJPRBMJLOTVTI-LBPRGKRZSA-N 2 2 397.317 1.751 20 0 GDADLP COc1ccc(C(=O)N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)nc1Br ZINC000378615978 532293194 /nfs/dbraw/zinc/29/31/94/532293194.db2.gz NGJPRBMJLOTVTI-LBPRGKRZSA-N 2 2 397.317 1.751 20 0 GDADLP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccccc2Br)nn1 ZINC000289441363 532324338 /nfs/dbraw/zinc/32/43/38/532324338.db2.gz FWVITXZPKDEDKG-AWEZNQCLSA-N 2 2 393.333 1.755 20 0 GDADLP C[C@H](C[NH2+]Cc1cn(-c2ccccc2Br)nn1)N1CC[NH+](C)CC1 ZINC000289430711 532324031 /nfs/dbraw/zinc/32/40/31/532324031.db2.gz DUDMFMMRIPHBCQ-CQSZACIVSA-N 2 2 393.333 1.755 20 0 GDADLP C[C@H]([NH2+][C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(Br)nc1 ZINC000289527496 532327100 /nfs/dbraw/zinc/32/71/00/532327100.db2.gz AAGCHIJSBCDUBD-ZFWWWQNUSA-N 2 2 397.317 1.428 20 0 GDADLP C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)[N@@H+]1CCC[C@H](C)C1 ZINC000071954238 222200123 /nfs/dbraw/zinc/20/01/23/222200123.db2.gz CTZPRGOVJVOORD-IRXDYDNUSA-N 2 2 395.573 1.550 20 0 GDADLP C[C@@H](CNc1ccc(S(=O)(=O)N2CC[NH+](C)CC2)cn1)[N@H+]1CCC[C@H](C)C1 ZINC000071954238 222200125 /nfs/dbraw/zinc/20/01/25/222200125.db2.gz CTZPRGOVJVOORD-IRXDYDNUSA-N 2 2 395.573 1.550 20 0 GDADLP CCN(C)C(=O)CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000821160581 607260468 /nfs/dbraw/zinc/26/04/68/607260468.db2.gz NAKAMYVSMHKGFR-UHFFFAOYSA-N 2 2 394.483 1.405 20 0 GDADLP O=C1[C@@H]([N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292194 598342002 /nfs/dbraw/zinc/34/20/02/598342002.db2.gz YEEAJBQSPIHHEM-SJORKVTESA-N 2 2 378.440 1.506 20 0 GDADLP O=C1[C@@H]([N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)CCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000738292194 598342004 /nfs/dbraw/zinc/34/20/04/598342004.db2.gz YEEAJBQSPIHHEM-SJORKVTESA-N 2 2 378.440 1.506 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853687 598769245 /nfs/dbraw/zinc/76/92/45/598769245.db2.gz ZMCMKCBOOOOEFZ-MWWKQMNYSA-N 2 2 381.484 1.165 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)C=Cc3ccccc3-c3nn[nH]n3)C2)CC1 ZINC000736853687 598769247 /nfs/dbraw/zinc/76/92/47/598769247.db2.gz ZMCMKCBOOOOEFZ-MWWKQMNYSA-N 2 2 381.484 1.165 20 0 GDADLP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568324 598813940 /nfs/dbraw/zinc/81/39/40/598813940.db2.gz AIOLEAFQSDTQPI-SFHVURJKSA-N 2 2 383.500 1.385 20 0 GDADLP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736568324 598813941 /nfs/dbraw/zinc/81/39/41/598813941.db2.gz AIOLEAFQSDTQPI-SFHVURJKSA-N 2 2 383.500 1.385 20 0 GDADLP OC1(C[NH+]2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)CCCC1 ZINC000826506630 607524307 /nfs/dbraw/zinc/52/43/07/607524307.db2.gz YHWOFBFKQGTGQM-UHFFFAOYSA-N 2 2 379.468 1.842 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330958 607639045 /nfs/dbraw/zinc/63/90/45/607639045.db2.gz OLOFCTFFJJNUEX-DYVFJYSZSA-N 2 2 380.456 1.863 20 0 GDADLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1cccc(-c2nn[nH]n2)c1 ZINC000826330958 607639047 /nfs/dbraw/zinc/63/90/47/607639047.db2.gz OLOFCTFFJJNUEX-DYVFJYSZSA-N 2 2 380.456 1.863 20 0 GDADLP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cccc(OCc2cccc(-c3nn[nH]n3)c2)c1 ZINC000825856226 607753684 /nfs/dbraw/zinc/75/36/84/607753684.db2.gz SAPLSIKBUCNXDW-NRFANRHFSA-N 2 2 396.495 1.848 20 0 GDADLP COc1cc[nH+]c(N2CC[NH+](C[C@H](O)c3ccc(-c4nn[nH]n4)cc3)CC2)c1 ZINC000821904570 606859301 /nfs/dbraw/zinc/85/93/01/606859301.db2.gz XHXRAOZUMCCJRW-KRWDZBQOSA-N 2 2 381.440 1.126 20 0 GDADLP CC1(C)CC([NH2+]CCS(=O)(=O)c2cccc(-c3nn[nH]n3)c2)CC(C)(C)[NH2+]1 ZINC000824789213 607813673 /nfs/dbraw/zinc/81/36/73/607813673.db2.gz FURSPETXUAAPDV-UHFFFAOYSA-N 2 2 392.529 1.539 20 0 GDADLP Cc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(-c2nn[nH]n2)c1C ZINC000826335966 607904750 /nfs/dbraw/zinc/90/47/50/607904750.db2.gz IJDIBSFVECQQKV-XYPWUTKMSA-N 2 2 383.504 1.021 20 0 GDADLP Cc1nnc(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c(-c2nn[nH]n2)c1C ZINC000826335966 607904751 /nfs/dbraw/zinc/90/47/51/607904751.db2.gz IJDIBSFVECQQKV-XYPWUTKMSA-N 2 2 383.504 1.021 20 0 GDADLP C[N@H+](C[C@@H](O)C[NH2+]CCOc1ccc(I)cc1)C1CC1 ZINC000564651436 650763785 /nfs/dbraw/zinc/76/37/85/650763785.db2.gz OVTUQDPXKIFXRI-AWEZNQCLSA-N 2 2 390.265 1.715 20 0 GDADLP C[N@@H+](C[C@@H](O)C[NH2+]CCOc1ccc(I)cc1)C1CC1 ZINC000564651436 650763788 /nfs/dbraw/zinc/76/37/88/650763788.db2.gz OVTUQDPXKIFXRI-AWEZNQCLSA-N 2 2 390.265 1.715 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000261941372 645119820 /nfs/dbraw/zinc/11/98/20/645119820.db2.gz UTOUPKNPNJIRPA-CYBMUJFWSA-N 2 2 385.281 1.506 20 0 GDADLP O=C(C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1ccc(Br)cc1F ZINC000261941372 645119823 /nfs/dbraw/zinc/11/98/23/645119823.db2.gz UTOUPKNPNJIRPA-CYBMUJFWSA-N 2 2 385.281 1.506 20 0 GDADLP O=C(NCC[NH2+][C@@H](C1CC1)[C@H]1C[NH2+]CCO1)c1ccc(Br)cc1 ZINC000422734515 646098756 /nfs/dbraw/zinc/09/87/56/646098756.db2.gz TYMSPHZYOZKSRY-CVEARBPZSA-N 2 2 382.302 1.536 20 0 GDADLP C[NH2+]CCOCCNC(=O)NCCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000627013343 653066779 /nfs/dbraw/zinc/06/67/79/653066779.db2.gz JXNSSTPXPWUUPI-UHFFFAOYSA-N 2 2 398.305 1.483 20 0 GDADLP Cn1nc(Br)cc1C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000785438144 654917335 /nfs/dbraw/zinc/91/73/35/654917335.db2.gz DRNZWEJZDSRJHG-UHFFFAOYSA-N 2 2 379.306 1.619 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3nc(F)ccc3Br)C2)CC1 ZINC000847486392 655470212 /nfs/dbraw/zinc/47/02/12/655470212.db2.gz URLKZQSYLYVBQH-NSHDSACASA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3nc(F)ccc3Br)C2)CC1 ZINC000847486392 655470213 /nfs/dbraw/zinc/47/02/13/655470213.db2.gz URLKZQSYLYVBQH-NSHDSACASA-N 2 2 385.281 1.882 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000872257063 656321633 /nfs/dbraw/zinc/32/16/33/656321633.db2.gz KBMYYVQQGLPBOH-SCRDCRAPSA-N 2 2 382.258 1.522 20 0 GDADLP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@H+](Cc2cccc(O)c2Br)C1 ZINC000872257063 656321638 /nfs/dbraw/zinc/32/16/38/656321638.db2.gz KBMYYVQQGLPBOH-SCRDCRAPSA-N 2 2 382.258 1.522 20 0 GDADLP CC1(C)[NH2+]CC[C@H]1[NH2+]C[C@@H](O)COc1ccc(I)cc1 ZINC000925566138 656714817 /nfs/dbraw/zinc/71/48/17/656714817.db2.gz DVKGHOGQPUPARB-TZMCWYRMSA-N 2 2 390.265 1.761 20 0 GDADLP CC[NH+]1CCN(C(=O)CC2CC[NH+](CC[S@](=O)C(F)(F)F)CC2)CC1 ZINC000929609063 656974851 /nfs/dbraw/zinc/97/48/51/656974851.db2.gz GFMKQNOHHYWWLW-VWLOTQADSA-N 2 2 383.480 1.521 20 0 GDADLP Cn1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(I)n1 ZINC000894016964 658493733 /nfs/dbraw/zinc/49/37/33/658493733.db2.gz KDPVUNFOUJSVIR-UHFFFAOYSA-N 2 2 392.285 1.567 20 0 GDADLP Fc1ccccc1N1CCN(c2cc(N3CCN4CC[NH2+]C[C@@H]4C3)nc[nH+]2)CC1 ZINC001164402297 718840962 /nfs/dbraw/zinc/84/09/62/718840962.db2.gz FPIBRQGHBDMHHD-QGZVFWFLSA-N 2 2 397.502 1.036 20 0 GDADLP [NH3+][C@@]12C[C@@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164420738 718895788 /nfs/dbraw/zinc/89/57/88/718895788.db2.gz NOOWYHHOWAZXSX-WMZHIEFXSA-N 2 2 391.519 1.967 20 0 GDADLP CCc1nc(N2CCc3c(nnn3C)[C@H]2COCC[NH+]2CCCC2)cc(C)[nH+]1 ZINC001164717181 720197838 /nfs/dbraw/zinc/19/78/38/720197838.db2.gz UKEGVEMLYXLGMB-QGZVFWFLSA-N 2 2 385.516 1.692 20 0 GDADLP Cc1nc(CN2CC[N@@H+](C)C3(CCN(c4cc(N)cc[nH+]4)CC3)C2=O)cs1 ZINC001164825787 720358508 /nfs/dbraw/zinc/35/85/08/720358508.db2.gz UQRMYXYJCJCUTP-UHFFFAOYSA-N 2 2 386.525 1.742 20 0 GDADLP Cc1nc(CN2CC[N@H+](C)C3(CCN(c4cc(N)cc[nH+]4)CC3)C2=O)cs1 ZINC001164825787 720358516 /nfs/dbraw/zinc/35/85/16/720358516.db2.gz UQRMYXYJCJCUTP-UHFFFAOYSA-N 2 2 386.525 1.742 20 0 GDADLP C[NH+]1CCN(c2cccc(N3C[C@H](OCc4cccnc4)[C@@H]4COC[C@H]43)[nH+]2)CC1 ZINC001164758402 721006968 /nfs/dbraw/zinc/00/69/68/721006968.db2.gz IOPGQCOKRXTKES-AQNXPRMDSA-N 2 2 395.507 1.649 20 0 GDADLP CCc1nc(N2CCC3(CC2)COCC[N@H+](CC(=O)N(C)C)C3)cc(C)[nH+]1 ZINC001164873524 721284918 /nfs/dbraw/zinc/28/49/18/721284918.db2.gz NSZZBAFYGWBERD-UHFFFAOYSA-N 2 2 375.517 1.354 20 0 GDADLP CCc1nc(N2CCC3(CC2)COCC[N@@H+](CC(=O)N(C)C)C3)cc(C)[nH+]1 ZINC001164873524 721284922 /nfs/dbraw/zinc/28/49/22/721284922.db2.gz NSZZBAFYGWBERD-UHFFFAOYSA-N 2 2 375.517 1.354 20 0 GDADLP C[N@@H+]1CCC[C@@H](N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000821623536 945752882 /nfs/dbraw/zinc/75/28/82/945752882.db2.gz MWQBIBLSRDREKG-OAHLLOKOSA-N 2 2 378.484 1.631 20 0 GDADLP C[N@H+]1CCC[C@@H](N2CCN(c3c(-c4nn[nH]n4)c[nH+]c4ccccc43)CC2)C1 ZINC000821623536 945752887 /nfs/dbraw/zinc/75/28/87/945752887.db2.gz MWQBIBLSRDREKG-OAHLLOKOSA-N 2 2 378.484 1.631 20 0 GDADLP O=C1OCC[C@H]1CC[NH+]1CCN(c2c(-c3nn[nH]n3)c[nH+]c3ccccc32)CC1 ZINC000823551329 946445412 /nfs/dbraw/zinc/44/54/12/946445412.db2.gz MZNDUODWLKOKLL-CQSZACIVSA-N 2 2 393.451 1.490 20 0 GDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571316685 946585649 /nfs/dbraw/zinc/58/56/49/946585649.db2.gz JXIHUIFUAVERJO-ROUUACIJSA-N 2 2 392.467 1.018 20 0 GDADLP Cn1c[nH+]cc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC001571316685 946585655 /nfs/dbraw/zinc/58/56/55/946585655.db2.gz JXIHUIFUAVERJO-ROUUACIJSA-N 2 2 392.467 1.018 20 0 GDADLP O=C1[C@@H]([NH+]2CCC(n3cc[nH+]c3)CC2)CCCN1c1ccc(-c2nn[nH]n2)cc1 ZINC000826476996 948385212 /nfs/dbraw/zinc/38/52/12/948385212.db2.gz SXRQKIFNBUPZKB-SFHVURJKSA-N 2 2 392.467 1.896 20 0 GDADLP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)COCC1CC1 ZINC000826502712 948418998 /nfs/dbraw/zinc/41/89/98/948418998.db2.gz JCZPVGGJLBMQHS-IBGZPJMESA-N 2 2 386.500 1.208 20 0 GDADLP CC(C)C[C@@H](C(=O)NCCN(C)c1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574124157 949564555 /nfs/dbraw/zinc/56/45/55/949564555.db2.gz DMRNQIMSVJZRKC-INIZCTEOSA-N 2 2 383.460 1.298 20 0 GDADLP CC(C)C[C@@H](C(=O)NC[C@H](C)Nc1cc[nH+]cc1-c1nn[nH]n1)n1cc[nH+]c1 ZINC001574124429 949569994 /nfs/dbraw/zinc/56/99/94/949569994.db2.gz HTLFYIMGYMSVKH-BBRMVZONSA-N 2 2 383.460 1.084 20 0 GDADLP C[C@@H](NC(=O)C[NH+]1CCCC1)C1C[NH+](Cc2ccc(F)c(-c3nn[nH]n3)c2)C1 ZINC001575281844 949823619 /nfs/dbraw/zinc/82/36/19/949823619.db2.gz AXGPVJHOLYWQDD-CYBMUJFWSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](CN(C)C(=O)CCCn1cc[nH+]c1)[NH2+]Cc1ccccc1-c1nn[nH]n1 ZINC001574722726 949844007 /nfs/dbraw/zinc/84/40/07/949844007.db2.gz WCMUDQGZEOKQFC-OAHLLOKOSA-N 2 2 382.472 1.480 20 0 GDADLP C[C@@H]1[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)c(F)c2)CCN1C(=O)Cc1c[nH+]c[nH]1 ZINC001575907356 950329755 /nfs/dbraw/zinc/32/97/55/950329755.db2.gz NOFLZCPXVIVJFZ-BDJLRTHQSA-N 2 2 384.419 1.051 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501482 950339019 /nfs/dbraw/zinc/33/90/19/950339019.db2.gz DRMXZHBVCXHTAW-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H](CC(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)cc1)n1cc[nH+]c1 ZINC001574501482 950339041 /nfs/dbraw/zinc/33/90/41/950339041.db2.gz DRMXZHBVCXHTAW-RHSMWYFYSA-N 2 2 380.456 1.405 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205430 950519844 /nfs/dbraw/zinc/51/98/44/950519844.db2.gz IWJLFQIQQWNFSY-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NC[C@H]2CC[NH+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205430 950519863 /nfs/dbraw/zinc/51/98/63/950519863.db2.gz IWJLFQIQQWNFSY-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205430 950519884 /nfs/dbraw/zinc/51/98/84/950519884.db2.gz IWJLFQIQQWNFSY-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)NC[C@H]2CC[N@H+]2Cc2cc(F)ccc2-c2nn[nH]n2)C1 ZINC001576205430 950519902 /nfs/dbraw/zinc/51/99/02/950519902.db2.gz IWJLFQIQQWNFSY-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H](C[NH2+]Cc1ccc(F)c(-c2nn[nH]n2)c1)NC(=O)C[C@@H](C)n1cc[nH+]c1 ZINC001574512707 950585551 /nfs/dbraw/zinc/58/55/51/950585551.db2.gz AANJMKFIIFOVGO-CHWSQXEVSA-N 2 2 386.435 1.448 20 0 GDADLP C[C@H](C[C@H](C)NC(=O)CCn1cc[nH+]c1)[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC001574524371 950857463 /nfs/dbraw/zinc/85/74/63/950857463.db2.gz VZDLUJLRNVTDDY-OLZOCXBDSA-N 2 2 388.501 1.588 20 0 GDADLP C[C@H](C[N@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001574772126 950956901 /nfs/dbraw/zinc/95/69/01/950956901.db2.gz PSMHHEJQSAZCNZ-CXAGYDPISA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[N@@H+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[NH+]1C ZINC001574772126 950956920 /nfs/dbraw/zinc/95/69/20/950956920.db2.gz PSMHHEJQSAZCNZ-CXAGYDPISA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001574772126 950956938 /nfs/dbraw/zinc/95/69/38/950956938.db2.gz PSMHHEJQSAZCNZ-CXAGYDPISA-N 2 2 389.479 1.427 20 0 GDADLP C[C@H](C[NH+](C)Cc1cc(-c2nn[nH]n2)ccc1F)NC(=O)[C@H]1CCCC[N@H+]1C ZINC001574772126 950956957 /nfs/dbraw/zinc/95/69/57/950956957.db2.gz PSMHHEJQSAZCNZ-CXAGYDPISA-N 2 2 389.479 1.427 20 0 GDADLP C[C@@H](CNC(=O)CCc1[nH+]ccn1C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC001575089698 951753885 /nfs/dbraw/zinc/75/38/85/951753885.db2.gz HSBVXOVIALHRDW-CQSZACIVSA-N 2 2 382.472 1.075 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120080 952499035 /nfs/dbraw/zinc/49/90/35/952499035.db2.gz HUNLDMWPEUALFO-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120080 952499038 /nfs/dbraw/zinc/49/90/38/952499038.db2.gz HUNLDMWPEUALFO-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120080 952499042 /nfs/dbraw/zinc/49/90/42/952499042.db2.gz HUNLDMWPEUALFO-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[NH+]1CCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1 ZINC001571120080 952499044 /nfs/dbraw/zinc/49/90/44/952499044.db2.gz HUNLDMWPEUALFO-GXTWGEPZSA-N 2 2 375.502 1.103 20 0 GDADLP C[C@@H](Cc1c[nH]c[nH+]1)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC001575200852 952499071 /nfs/dbraw/zinc/49/90/71/952499071.db2.gz LXWDRZKCLWMOEP-VBNZEHGJSA-N 2 2 380.456 1.205 20 0 GDADLP O=C1C[C@@H]([NH2+]Cc2ccc(Br)s2)CN1CC[NH+]1CCOCC1 ZINC000172697592 530617116 /nfs/dbraw/zinc/61/71/16/530617116.db2.gz UBIJWDIHLFSTPO-GFCCVEGCSA-N 2 2 388.331 1.533 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000051762495 530681496 /nfs/dbraw/zinc/68/14/96/530681496.db2.gz ZCCPXHAKQXAIEQ-CQSZACIVSA-N 2 2 390.311 1.439 20 0 GDADLP C[NH+](C)CC(=O)N1CC[NH+](CCC(=O)Nc2ccc(Br)cc2)CC1 ZINC000051763391 530681718 /nfs/dbraw/zinc/68/17/18/530681718.db2.gz JBQVKNPCWNEFBT-UHFFFAOYSA-N 2 2 397.317 1.484 20 0 GDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000261658409 531095172 /nfs/dbraw/zinc/09/51/72/531095172.db2.gz FYLFAEKJEOYUFN-LBPRGKRZSA-N 2 2 383.290 1.175 20 0 GDADLP [NH3+]CCNC(=O)[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2Br)C1 ZINC000261658409 531095174 /nfs/dbraw/zinc/09/51/74/531095174.db2.gz FYLFAEKJEOYUFN-LBPRGKRZSA-N 2 2 383.290 1.175 20 0 GDADLP CN(C)c1[nH+]cc(CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)n1C ZINC000261666422 531095336 /nfs/dbraw/zinc/09/53/36/531095336.db2.gz FQUOGJKYIAZTMT-MRXNPFEDSA-N 2 2 380.290 1.739 20 0 GDADLP Brc1cncc(C[NH+]2CCC(c3nnc4n3CC[NH2+]C4)CC2)c1 ZINC000261769994 531098562 /nfs/dbraw/zinc/09/85/62/531098562.db2.gz PFBFIEMQNPAGPK-UHFFFAOYSA-N 2 2 377.290 1.918 20 0 GDADLP Cc1nn(C)c(C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1Br ZINC000279164421 531417148 /nfs/dbraw/zinc/41/71/48/531417148.db2.gz QDZADSNAQXZLDH-ZDUSSCGKSA-N 2 2 386.338 1.523 20 0 GDADLP Cc1nn(C)c(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1Br ZINC000279164421 531417154 /nfs/dbraw/zinc/41/71/54/531417154.db2.gz QDZADSNAQXZLDH-ZDUSSCGKSA-N 2 2 386.338 1.523 20 0 GDADLP COc1ccc(C[N@@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1Br ZINC000486051944 531445063 /nfs/dbraw/zinc/44/50/63/531445063.db2.gz IIBMWAWICGJUCL-CQSZACIVSA-N 2 2 382.302 1.854 20 0 GDADLP COc1ccc(C[N@H+]2CCC[C@@H](N3CC[NH2+]CC3=O)C2)cc1Br ZINC000486051944 531445066 /nfs/dbraw/zinc/44/50/66/531445066.db2.gz IIBMWAWICGJUCL-CQSZACIVSA-N 2 2 382.302 1.854 20 0 GDADLP COc1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c(Br)c1OC ZINC000489854829 531512898 /nfs/dbraw/zinc/51/28/98/531512898.db2.gz GDUIDXVTHWZURH-AWEZNQCLSA-N 2 2 384.318 1.946 20 0 GDADLP [NH3+][C@H]1C[C@H]2C[N@@H+](Cc3ncc(-c4ccc(Br)cc4)o3)CCN2C1=O ZINC000583883643 531602023 /nfs/dbraw/zinc/60/20/23/531602023.db2.gz XDYGXBZZMVZDPF-KBPBESRZSA-N 2 2 391.269 1.848 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181779 531647395 /nfs/dbraw/zinc/64/73/95/531647395.db2.gz OCNHIMQPDMADGR-VNQPRFMTSA-N 2 2 387.933 1.671 20 0 GDADLP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc(S(N)(=O)=O)c(Cl)c1 ZINC000638181779 531647404 /nfs/dbraw/zinc/64/74/04/531647404.db2.gz OCNHIMQPDMADGR-VNQPRFMTSA-N 2 2 387.933 1.671 20 0 GDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662787473 531696680 /nfs/dbraw/zinc/69/66/80/531696680.db2.gz QDDLWAIGKGDXHP-MRXNPFEDSA-N 2 2 397.317 1.119 20 0 GDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2Br)CC1 ZINC000662787473 531696686 /nfs/dbraw/zinc/69/66/86/531696686.db2.gz QDDLWAIGKGDXHP-MRXNPFEDSA-N 2 2 397.317 1.119 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCc2cc3cc(Br)ccc3[nH]2)[C@@H](C[NH3+])C1 ZINC000563610462 531856921 /nfs/dbraw/zinc/85/69/21/531856921.db2.gz HXHVZBMENSBOTD-AWEZNQCLSA-N 2 2 380.290 1.715 20 0 GDADLP C[N@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566244704 531881875 /nfs/dbraw/zinc/88/18/75/531881875.db2.gz XAUNPJGTKVAGRT-HNNXBMFYSA-N 2 2 385.295 1.462 20 0 GDADLP C[N@@H+](CC(=O)N1CC[NH2+]CC1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC000566244704 531881883 /nfs/dbraw/zinc/88/18/83/531881883.db2.gz XAUNPJGTKVAGRT-HNNXBMFYSA-N 2 2 385.295 1.462 20 0 GDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000571056337 531947513 /nfs/dbraw/zinc/94/75/13/531947513.db2.gz HYPIXKMFJMJLIY-LLVKDONJSA-N 2 2 399.289 1.651 20 0 GDADLP COC(=O)c1c(C)c(NC(=O)N2CC[N@@H+](C)C[C@H]2C[NH3+])ccc1Br ZINC000571056337 531947515 /nfs/dbraw/zinc/94/75/15/531947515.db2.gz HYPIXKMFJMJLIY-LLVKDONJSA-N 2 2 399.289 1.651 20 0 GDADLP NC(=O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)cc1 ZINC000655764418 531975608 /nfs/dbraw/zinc/97/56/08/531975608.db2.gz HAIVGNMBLLHAAX-JKSUJKDBSA-N 2 2 382.302 1.818 20 0 GDADLP OCCN1CC[NH+](CCCC[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459407306 532013532 /nfs/dbraw/zinc/01/35/32/532013532.db2.gz HLHFNWGAYUNGBX-UHFFFAOYSA-N 2 2 386.334 1.634 20 0 GDADLP OCC[NH+]1CCN(CCCC[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459407306 532013546 /nfs/dbraw/zinc/01/35/46/532013546.db2.gz HLHFNWGAYUNGBX-UHFFFAOYSA-N 2 2 386.334 1.634 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000576272105 532020117 /nfs/dbraw/zinc/02/01/17/532020117.db2.gz QXLFVTDGHMPHSW-MBNYWOFBSA-N 2 2 378.300 1.827 20 0 GDADLP C[C@@H]1C[N@H+](C[C@H](O)C[NH2+]CCOc2ncc(Cl)cc2Cl)C[C@H](C)O1 ZINC000576272105 532020124 /nfs/dbraw/zinc/02/01/24/532020124.db2.gz QXLFVTDGHMPHSW-MBNYWOFBSA-N 2 2 378.300 1.827 20 0 GDADLP C[C@@H](C[C@@H]1COCC[NH2+]1)[NH2+]CCCNC(=O)c1ccc(Br)cc1 ZINC000422882581 532069255 /nfs/dbraw/zinc/06/92/55/532069255.db2.gz SQFSFWBQSBJGBB-XJKSGUPXSA-N 2 2 384.318 1.926 20 0 GDADLP OC1CC[NH+](CCC[NH2+]Cc2ncc(I)s2)CC1 ZINC000285604944 532098208 /nfs/dbraw/zinc/09/82/08/532098208.db2.gz YNTYUJXFTTZTCF-UHFFFAOYSA-N 2 2 381.283 1.684 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH2+]Cc2ncc(I)s2)CC1 ZINC000286369765 532145077 /nfs/dbraw/zinc/14/50/77/532145077.db2.gz GFXCJUQNSZOLSP-UHFFFAOYSA-N 2 2 394.282 1.001 20 0 GDADLP NC(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000286418106 532148813 /nfs/dbraw/zinc/14/88/13/532148813.db2.gz IFLUSDCHCGMWEU-SECBINFHSA-N 2 2 394.282 1.177 20 0 GDADLP NC(=O)[C@H]1CCC[N@H+]1CCC[NH2+]Cc1ncc(I)s1 ZINC000286418106 532148816 /nfs/dbraw/zinc/14/88/16/532148816.db2.gz IFLUSDCHCGMWEU-SECBINFHSA-N 2 2 394.282 1.177 20 0 GDADLP C[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)CC1 ZINC000429670463 532232114 /nfs/dbraw/zinc/23/21/14/532232114.db2.gz XIDMPQGAXRDVIZ-UHFFFAOYSA-N 2 2 386.327 1.675 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC000430639720 532255184 /nfs/dbraw/zinc/25/51/84/532255184.db2.gz ITYNHWICJLBBJR-GFCCVEGCSA-N 2 2 388.921 1.200 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1Cl ZINC000430639720 532255188 /nfs/dbraw/zinc/25/51/88/532255188.db2.gz ITYNHWICJLBBJR-GFCCVEGCSA-N 2 2 388.921 1.200 20 0 GDADLP NC(=O)[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCC2)c1)c1ccc(-c2nn[nH]n2)cc1 ZINC000737738008 599089849 /nfs/dbraw/zinc/08/98/49/599089849.db2.gz UAXKYLJVZUKHRD-IBGZPJMESA-N 2 2 391.479 1.779 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502934 598368292 /nfs/dbraw/zinc/36/82/92/598368292.db2.gz PFMRSCPOHMQFKD-ZWKOTPCHSA-N 2 2 392.467 1.814 20 0 GDADLP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)C1 ZINC000737502934 598368294 /nfs/dbraw/zinc/36/82/94/598368294.db2.gz PFMRSCPOHMQFKD-ZWKOTPCHSA-N 2 2 392.467 1.814 20 0 GDADLP CC[NH+](CC)[C@@H](C[NH2+]C[C@H]1CNc2c(-c3nn[nH]n3)cnn2C1)c1ccccc1 ZINC000736532811 598517504 /nfs/dbraw/zinc/51/75/04/598517504.db2.gz DBVNINMMTKWQJB-YJBOKZPZSA-N 2 2 395.515 1.778 20 0 GDADLP Cc1cc(C)c2[nH+]cc(-c3nn[nH]n3)c(NC[C@H](C)C[NH+]3CCOCC3)c2c1 ZINC000822194995 599566348 /nfs/dbraw/zinc/56/63/48/599566348.db2.gz CMCJVVRHIQXMSR-AWEZNQCLSA-N 2 2 381.484 1.834 20 0 GDADLP C[N@H+](CCN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000825937689 607498852 /nfs/dbraw/zinc/49/88/52/607498852.db2.gz HVUBJPKSKDJOJM-UHFFFAOYSA-N 2 2 392.511 1.511 20 0 GDADLP C[N@@H+](CCN1CC[NH+](Cc2ccnc(-c3nn[nH]n3)c2)CC1)Cc1ccccc1 ZINC000825937689 607498855 /nfs/dbraw/zinc/49/88/55/607498855.db2.gz HVUBJPKSKDJOJM-UHFFFAOYSA-N 2 2 392.511 1.511 20 0 GDADLP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714631 606222233 /nfs/dbraw/zinc/22/22/33/606222233.db2.gz NSHUIKADSLVCFM-WMZOPIPTSA-N 2 2 384.509 1.901 20 0 GDADLP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc(-c2nn[nH]n2)cs1 ZINC000823714631 606222235 /nfs/dbraw/zinc/22/22/35/606222235.db2.gz NSHUIKADSLVCFM-WMZOPIPTSA-N 2 2 384.509 1.901 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000823791825 606456267 /nfs/dbraw/zinc/45/62/67/606456267.db2.gz JOWPFFCWCFICND-UHFFFAOYSA-N 2 2 379.468 1.964 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826182578 608170667 /nfs/dbraw/zinc/17/06/67/608170667.db2.gz NXCOHHCZLWBUPC-QAPCUYQASA-N 2 2 385.516 1.333 20 0 GDADLP COc1ccc(-c2nn[nH]n2)cc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000826182578 608170668 /nfs/dbraw/zinc/17/06/68/608170668.db2.gz NXCOHHCZLWBUPC-QAPCUYQASA-N 2 2 385.516 1.333 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000824957592 608453332 /nfs/dbraw/zinc/45/33/32/608453332.db2.gz XTVFCBMWQANXSU-YOEHRIQHSA-N 2 2 380.456 1.263 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)NCc2cccc(-c3nn[nH]n3)c2)C[C@@H]1n1cc[nH+]c1 ZINC000824957592 608453333 /nfs/dbraw/zinc/45/33/33/608453333.db2.gz XTVFCBMWQANXSU-YOEHRIQHSA-N 2 2 380.456 1.263 20 0 GDADLP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981441 608530820 /nfs/dbraw/zinc/53/08/20/608530820.db2.gz SBUFGMYHCLRLPI-LJQANCHMSA-N 2 2 378.480 1.938 20 0 GDADLP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(c2cccc(-c3nn[nH]n3)c2)CC1 ZINC000825981441 608530821 /nfs/dbraw/zinc/53/08/21/608530821.db2.gz SBUFGMYHCLRLPI-LJQANCHMSA-N 2 2 378.480 1.938 20 0 GDADLP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(c3ccc(-c4nn[nH]n4)cc3)C2=O)CC1 ZINC000825326893 609169103 /nfs/dbraw/zinc/16/91/03/609169103.db2.gz HSMDMKGOTNLPOC-GOSISDBHSA-N 2 2 383.500 1.826 20 0 GDADLP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585296 609333336 /nfs/dbraw/zinc/33/33/36/609333336.db2.gz PFZDSTLLXPGWNI-OCCSQVGLSA-N 2 2 375.452 1.244 20 0 GDADLP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824585296 609333339 /nfs/dbraw/zinc/33/33/39/609333339.db2.gz PFZDSTLLXPGWNI-OCCSQVGLSA-N 2 2 375.452 1.244 20 0 GDADLP CCCS(=O)(=O)c1ccccc1S(=O)(=O)CC[NH2+]CCn1cc[nH+]c1 ZINC000565535326 650801447 /nfs/dbraw/zinc/80/14/47/650801447.db2.gz QYUXAUURFVZCFA-UHFFFAOYSA-N 2 2 385.511 1.130 20 0 GDADLP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)c1ccc(F)c(I)c1 ZINC000423528467 646128104 /nfs/dbraw/zinc/12/81/04/646128104.db2.gz WOYJUVOHEDNQHD-JQWIXIFHSA-N 2 2 377.245 1.985 20 0 GDADLP O=C(NCC[NH+]1CCCC1)c1sc2c(c1I)C[NH2+]C2 ZINC000595947267 652428785 /nfs/dbraw/zinc/42/87/85/652428785.db2.gz SWDHQRGGAFTAEF-UHFFFAOYSA-N 2 2 391.278 1.782 20 0 GDADLP COc1sc(C[NH2+]CCC[N@@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000623619071 653007644 /nfs/dbraw/zinc/00/76/44/653007644.db2.gz PYCJNBUBJHNPFK-LBPRGKRZSA-N 2 2 376.320 1.949 20 0 GDADLP COc1sc(C[NH2+]CCC[N@H+]2CCC[C@H]2C(N)=O)cc1Br ZINC000623619071 653007646 /nfs/dbraw/zinc/00/76/46/653007646.db2.gz PYCJNBUBJHNPFK-LBPRGKRZSA-N 2 2 376.320 1.949 20 0 GDADLP Cn1ncc(Br)c1CNC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000633041495 653423960 /nfs/dbraw/zinc/42/39/60/653423960.db2.gz FDBXSTXFBSWYCY-LBPRGKRZSA-N 2 2 399.337 1.150 20 0 GDADLP Cn1ncc(Br)c1CNC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000633041495 653423965 /nfs/dbraw/zinc/42/39/65/653423965.db2.gz FDBXSTXFBSWYCY-LBPRGKRZSA-N 2 2 399.337 1.150 20 0 GDADLP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662755984 654302171 /nfs/dbraw/zinc/30/21/71/654302171.db2.gz GEWZZKHMDJXFDN-KRWDZBQOSA-N 2 2 397.361 1.983 20 0 GDADLP CC[NH+]1CCN(CCCCNC(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000662755984 654302174 /nfs/dbraw/zinc/30/21/74/654302174.db2.gz GEWZZKHMDJXFDN-KRWDZBQOSA-N 2 2 397.361 1.983 20 0 GDADLP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2c(cc1Cl)CCC2=O ZINC000800909435 654899671 /nfs/dbraw/zinc/89/96/71/654899671.db2.gz DOOCZDQXNATFQM-UHFFFAOYSA-N 2 2 387.933 1.583 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3cc(Br)cnc3F)C2)CC1 ZINC000859336558 655776136 /nfs/dbraw/zinc/77/61/36/655776136.db2.gz ARSHDSXLYSPAJL-GFCCVEGCSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3cc(Br)cnc3F)C2)CC1 ZINC000859336558 655776139 /nfs/dbraw/zinc/77/61/39/655776139.db2.gz ARSHDSXLYSPAJL-GFCCVEGCSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@H](NC(=O)c3cc(Br)cnc3F)C2)CC1 ZINC000859336562 655776254 /nfs/dbraw/zinc/77/62/54/655776254.db2.gz ARSHDSXLYSPAJL-LBPRGKRZSA-N 2 2 385.281 1.882 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@H](NC(=O)c3cc(Br)cnc3F)C2)CC1 ZINC000859336562 655776256 /nfs/dbraw/zinc/77/62/56/655776256.db2.gz ARSHDSXLYSPAJL-LBPRGKRZSA-N 2 2 385.281 1.882 20 0 GDADLP CCO[P@](C)(=O)CC[C@H](C)[NH2+][C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000877152605 656656756 /nfs/dbraw/zinc/65/67/56/656656756.db2.gz OQAXVTGVHJHDRV-RVFQGNMQSA-N 2 2 375.450 1.232 20 0 GDADLP CN(C)c1cc(NC(=O)NCC[NH+]2CCC([NH3+])CC2)ncc1Br ZINC000926136993 656738021 /nfs/dbraw/zinc/73/80/21/656738021.db2.gz PPSRWACDKOEZMY-UHFFFAOYSA-N 2 2 385.310 1.455 20 0 GDADLP C[C@@](O)(C[NH+]1CCC(O)(C[NH+]2CCOCC2)CC1)C(F)(F)C(F)(F)F ZINC000930168331 657005352 /nfs/dbraw/zinc/00/53/52/657005352.db2.gz NUUTZMBVXQADPA-GFCCVEGCSA-N 2 2 376.366 1.094 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccc(Br)[nH]c3=O)C2)CC1 ZINC000932623469 657203700 /nfs/dbraw/zinc/20/37/00/657203700.db2.gz YDFCBSQHTFCSNG-LLVKDONJSA-N 2 2 383.290 1.448 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)c3ccc(Br)[nH]c3=O)C2)CC1 ZINC000932623469 657203703 /nfs/dbraw/zinc/20/37/03/657203703.db2.gz YDFCBSQHTFCSNG-LLVKDONJSA-N 2 2 383.290 1.448 20 0 GDADLP Cn1c(Cl)nc(Cl)c1C[NH2+][C@H]1CCCN(CC[NH+]2CCOCC2)C1 ZINC000883372299 657283955 /nfs/dbraw/zinc/28/39/55/657283955.db2.gz VSFQBKGXAVIPRW-ZDUSSCGKSA-N 2 2 376.332 1.613 20 0 GDADLP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]([NH3+])c3ccc(Br)cc3)C2)CC1 ZINC000884221145 657335789 /nfs/dbraw/zinc/33/57/89/657335789.db2.gz KTZFIDQTAPPAON-DOTOQJQBSA-N 2 2 395.345 1.734 20 0 GDADLP CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884307641 657344439 /nfs/dbraw/zinc/34/44/39/657344439.db2.gz PJOWZDHGAPOSBC-INIZCTEOSA-N 2 2 397.317 1.119 20 0 GDADLP CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884307641 657344446 /nfs/dbraw/zinc/34/44/46/657344446.db2.gz PJOWZDHGAPOSBC-INIZCTEOSA-N 2 2 397.317 1.119 20 0 GDADLP C[NH+]1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ncc(Br)cn3)C2)CC1 ZINC000893021027 658368237 /nfs/dbraw/zinc/36/82/37/658368237.db2.gz CBRNDWLBPIAVNJ-CYBMUJFWSA-N 2 2 397.321 1.207 20 0 GDADLP C[NH+]1CCC([N@H+]2CC[C@@H](NC(=O)NCc3ncc(Br)cn3)C2)CC1 ZINC000893021027 658368246 /nfs/dbraw/zinc/36/82/46/658368246.db2.gz CBRNDWLBPIAVNJ-CYBMUJFWSA-N 2 2 397.321 1.207 20 0 GDADLP [NH3+][C@]12C[C@H]1CCN(c1ncccc1C(=O)N1CC[NH+](Cc3ccccc3)CC1)C2 ZINC001164420739 718895833 /nfs/dbraw/zinc/89/58/33/718895833.db2.gz NOOWYHHOWAZXSX-XXBNENTESA-N 2 2 391.519 1.967 20 0 GDADLP Cc1noc([C@@H]2C[C@@H]3CCN(c4cccc(N5CC[NH+](C)CC5)[nH+]4)C[C@@H]3O2)n1 ZINC001164651895 719299641 /nfs/dbraw/zinc/29/96/41/719299641.db2.gz MQOGZVKJDKYKQH-ULQDDVLXSA-N 2 2 384.484 1.881 20 0 GDADLP CC(C)Oc1cc[nH+]c(N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)c1 ZINC001164709326 719911193 /nfs/dbraw/zinc/91/11/93/719911193.db2.gz STFOMNOWIHACOI-UHFFFAOYSA-N 2 2 398.511 1.553 20 0 GDADLP COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809331 720077897 /nfs/dbraw/zinc/07/78/97/720077897.db2.gz JLKQJQQFTHYVGQ-GHTZIAJQSA-N 2 2 387.528 1.498 20 0 GDADLP COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1cc(N3CCOCC3)[nH+]cn1)C2 ZINC001164809331 720077903 /nfs/dbraw/zinc/07/79/03/720077903.db2.gz JLKQJQQFTHYVGQ-GHTZIAJQSA-N 2 2 387.528 1.498 20 0 GDADLP Cn1cc(C[N@@H+]2CC[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164769125 721083359 /nfs/dbraw/zinc/08/33/59/721083359.db2.gz OIGYTJLYZHCMBP-MSOLQXFVSA-N 2 2 383.500 1.005 20 0 GDADLP Cn1cc(C[N@H+]2CC[C@@H]3CN(c4cc(N5CCOCC5)[nH+]cn4)C[C@@H]3C2)cn1 ZINC001164769125 721083366 /nfs/dbraw/zinc/08/33/66/721083366.db2.gz OIGYTJLYZHCMBP-MSOLQXFVSA-N 2 2 383.500 1.005 20 0 GDADLP C[NH+]1CCN(Cc2cn3c(n2)CN(c2nc(N4CCCCC4)cc[nH+]2)CC3)CC1 ZINC001164797770 721515818 /nfs/dbraw/zinc/51/58/18/721515818.db2.gz MQEJVUJUQYEINX-UHFFFAOYSA-N 2 2 396.543 1.431 20 0 GDADLP C[NH+](C)Cc1ccnc(N2CCO[C@]3(C2)COCC[N@H+](Cc2cccnc2)C3)c1 ZINC001164915630 721797684 /nfs/dbraw/zinc/79/76/84/721797684.db2.gz XCLVTQFGNKYFOL-JOCHJYFZSA-N 2 2 397.523 1.646 20 0 GDADLP C[NH+](C)Cc1ccnc(N2CCO[C@]3(C2)COCC[N@@H+](Cc2cccnc2)C3)c1 ZINC001164915630 721797686 /nfs/dbraw/zinc/79/76/86/721797686.db2.gz XCLVTQFGNKYFOL-JOCHJYFZSA-N 2 2 397.523 1.646 20 0 GDADLP CC(=O)NCc1ncn2c1CN(c1cccc(N3CC[NH+](C)CC3)[nH+]1)CCC2 ZINC001165000991 722228101 /nfs/dbraw/zinc/22/81/01/722228101.db2.gz XFVACUIGZXIBLJ-UHFFFAOYSA-N 2 2 383.500 1.076 20 0 GDADLP Cc1oc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2nn[nH]n2)c1C ZINC000737550527 945093793 /nfs/dbraw/zinc/09/37/93/945093793.db2.gz AGDPJCROCCJKQF-UHFFFAOYSA-N 2 2 387.488 1.823 20 0 GDADLP O=C(N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)[C@@H]1CCc2c[nH+]cn2C1 ZINC001571317765 946621562 /nfs/dbraw/zinc/62/15/62/946621562.db2.gz UWBMNGAJLMKMDV-BRWVUGGUSA-N 2 2 392.467 1.063 20 0 GDADLP CC(C)N1CC[C@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)C1=O ZINC000824296030 946647035 /nfs/dbraw/zinc/64/70/35/946647035.db2.gz CZRHGIQOAPOVAU-SFHVURJKSA-N 2 2 383.500 1.430 20 0 GDADLP CC(C)N1C[C@@H]([NH2+]C2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)CC1=O ZINC000824296876 946647189 /nfs/dbraw/zinc/64/71/89/946647189.db2.gz LPPZCAGOYQJHII-SFHVURJKSA-N 2 2 383.500 1.430 20 0 GDADLP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C(F)(F)F ZINC000824669908 946889536 /nfs/dbraw/zinc/88/95/36/946889536.db2.gz IAPPLLQSYSCPNA-MRXNPFEDSA-N 2 2 384.406 1.734 20 0 GDADLP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000826227277 947666912 /nfs/dbraw/zinc/66/69/12/947666912.db2.gz OQKFYYLRQSTAGH-SUMWQHHRSA-N 2 2 376.530 1.533 20 0 GDADLP OC[C@H]([NH2+]C1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)C1CCOCC1 ZINC000826507969 948427043 /nfs/dbraw/zinc/42/70/43/948427043.db2.gz ZTLBBGHKMGLQIB-IBGZPJMESA-N 2 2 386.500 1.208 20 0 GDADLP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCC1 ZINC001573780401 949095228 /nfs/dbraw/zinc/09/52/28/949095228.db2.gz YGUYVZMNJAOGBW-CYBMUJFWSA-N 2 2 389.529 1.493 20 0 GDADLP CC(C)(C(=O)NC[C@H]1CC[N@H+]1Cc1ccc(-c2nn[nH]n2)s1)[NH+]1CCCC1 ZINC001573780401 949095248 /nfs/dbraw/zinc/09/52/48/949095248.db2.gz YGUYVZMNJAOGBW-CYBMUJFWSA-N 2 2 389.529 1.493 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492066 950061605 /nfs/dbraw/zinc/06/16/05/950061605.db2.gz ITUNPAGCOUJUCF-CHWSQXEVSA-N 2 2 386.485 1.467 20 0 GDADLP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(-c3nn[nH]n3)s2)C1)n1cc[nH+]c1 ZINC001574492066 950061625 /nfs/dbraw/zinc/06/16/25/950061625.db2.gz ITUNPAGCOUJUCF-CHWSQXEVSA-N 2 2 386.485 1.467 20 0 GDADLP CC(C)C[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1)NC(=O)Cn1cc[nH+]c1 ZINC001574151557 950084785 /nfs/dbraw/zinc/08/47/85/950084785.db2.gz UZHMYNGUZFGSHG-QGZVFWFLSA-N 2 2 382.472 1.384 20 0 GDADLP C[C@@H](CC(=O)NC[C@@H]1CCN(c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001574502129 950356888 /nfs/dbraw/zinc/35/68/88/950356888.db2.gz JGINGHXYIXFSLR-KBPBESRZSA-N 2 2 381.444 1.052 20 0 GDADLP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204974 950488675 /nfs/dbraw/zinc/48/86/75/950488675.db2.gz TTZJSKAKVVGSKU-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[N@@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204974 950488689 /nfs/dbraw/zinc/48/86/89/950488689.db2.gz TTZJSKAKVVGSKU-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204974 950488699 /nfs/dbraw/zinc/48/86/99/950488699.db2.gz TTZJSKAKVVGSKU-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@H]1CC[NH+](CC(=O)N[C@@H]2CC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3F)C2)C1 ZINC001576204974 950488712 /nfs/dbraw/zinc/48/87/12/950488712.db2.gz TTZJSKAKVVGSKU-XJKSGUPXSA-N 2 2 387.463 1.038 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(-c3nn[nH]n3)cc2)C1)n1cc[nH+]c1 ZINC001574515143 950625229 /nfs/dbraw/zinc/62/52/29/950625229.db2.gz AHFCVIGSDGFQCT-JQFCIGGWSA-N 2 2 380.456 1.451 20 0 GDADLP C[C@H](CNC(=O)[C@@H]1C[C@H]1c1c[nH+]cn1C)C[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC001575107147 951913348 /nfs/dbraw/zinc/91/33/48/951913348.db2.gz AACQLJNHUIVFLY-IAOVAPTHSA-N 2 2 394.483 1.246 20 0 GDADLP C[C@@H](C[NH2+]Cc1cccc(-c2nn[nH]n2)c1)N(C)C(=O)CCc1[nH+]ccn1C ZINC001575108753 951926625 /nfs/dbraw/zinc/92/66/25/951926625.db2.gz NFJILLGWSLRDAK-AWEZNQCLSA-N 2 2 382.472 1.170 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165581 952753798 /nfs/dbraw/zinc/75/37/98/952753798.db2.gz GBMZODXPEDTVAX-CJNGLKHVSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@@H]1C[C@@H](NC(=O)Cc2[nH]cc[nH+]2)CC[N@H+]1Cc1cccc(-c2nn[nH]n2)c1 ZINC001571165581 952753801 /nfs/dbraw/zinc/75/38/01/952753801.db2.gz GBMZODXPEDTVAX-CJNGLKHVSA-N 2 2 380.456 1.302 20 0 GDADLP C[C@H](CC(=O)N1CC[C@@H](N(C)c2cc[nH+]cc2-c2nn[nH]n2)C1)n1cc[nH+]c1 ZINC001571184304 952890656 /nfs/dbraw/zinc/89/06/56/952890656.db2.gz VWBWVHGVOUXIQU-ZIAGYGMSSA-N 2 2 381.444 1.147 20 0 GDADLP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251835 953320756 /nfs/dbraw/zinc/32/07/56/953320756.db2.gz AVUCFHQWVIOELX-HZPDHXFCSA-N 2 2 384.488 1.077 20 0 GDADLP C[N@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CN(c2cc[nH+]cc2-c2nn[nH]n2)CC1(C)C ZINC001571251835 953320761 /nfs/dbraw/zinc/32/07/61/953320761.db2.gz AVUCFHQWVIOELX-HZPDHXFCSA-N 2 2 384.488 1.077 20 0 GDADLP COCCCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000175141322 530659414 /nfs/dbraw/zinc/65/94/14/530659414.db2.gz ZAXWRAMZVOVXRB-SFHVURJKSA-N 2 2 375.579 1.386 20 0 GDADLP COCCCS(=O)(=O)NCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000175141322 530659416 /nfs/dbraw/zinc/65/94/16/530659416.db2.gz ZAXWRAMZVOVXRB-SFHVURJKSA-N 2 2 375.579 1.386 20 0 GDADLP O=C1NC(=O)[C@@]2(CCC[N@@H+](Cc3c[nH+]c4ccc(Br)cn34)C2)N1 ZINC000193472024 530987480 /nfs/dbraw/zinc/98/74/80/530987480.db2.gz WKDYOGVOTGHELB-HNNXBMFYSA-N 2 2 378.230 1.271 20 0 GDADLP O=C1NC(=O)[C@@]2(CCC[N@H+](Cc3c[nH+]c4ccc(Br)cn34)C2)N1 ZINC000193472024 530987482 /nfs/dbraw/zinc/98/74/82/530987482.db2.gz WKDYOGVOTGHELB-HNNXBMFYSA-N 2 2 378.230 1.271 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CC[NH+](C)CC1 ZINC000195434558 531023337 /nfs/dbraw/zinc/02/33/37/531023337.db2.gz QXWCENHCFBXLJH-BPQIPLTHSA-N 2 2 375.579 1.620 20 0 GDADLP CO[C@H](C)CS(=O)(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CC[NH+](C)CC1 ZINC000195434558 531023339 /nfs/dbraw/zinc/02/33/39/531023339.db2.gz QXWCENHCFBXLJH-BPQIPLTHSA-N 2 2 375.579 1.620 20 0 GDADLP O=C(C[N@@H+]1CCS[C@H]2COCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000128298402 531039614 /nfs/dbraw/zinc/03/96/14/531039614.db2.gz NHCMIBNEKAGJIY-IRXDYDNUSA-N 2 2 381.567 1.599 20 0 GDADLP O=C(C[N@H+]1CCS[C@H]2COCC[C@@H]21)N1CC[NH+](Cc2cccs2)CC1 ZINC000128298402 531039618 /nfs/dbraw/zinc/03/96/18/531039618.db2.gz NHCMIBNEKAGJIY-IRXDYDNUSA-N 2 2 381.567 1.599 20 0 GDADLP CS(=O)(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000237323243 531045205 /nfs/dbraw/zinc/04/52/05/531045205.db2.gz UCLAIYKJYNCVLI-CVEARBPZSA-N 2 2 387.933 1.355 20 0 GDADLP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1c[nH+]c2ccc(Br)cn12 ZINC000262007973 531104909 /nfs/dbraw/zinc/10/49/09/531104909.db2.gz MAMVXSKQVZZHDZ-AWEZNQCLSA-N 2 2 375.274 1.977 20 0 GDADLP C[NH+](C)CC(=O)Nc1cc2c(cc1Br)CN(C(=O)C[NH+](C)C)C2 ZINC000276946170 531242718 /nfs/dbraw/zinc/24/27/18/531242718.db2.gz HWBNBECKOPCSSS-UHFFFAOYSA-N 2 2 383.290 1.353 20 0 GDADLP COc1c(Br)cccc1C[N@@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000435383570 531260817 /nfs/dbraw/zinc/26/08/17/531260817.db2.gz IWDOVUGJBDOJPO-CQSZACIVSA-N 2 2 382.302 1.854 20 0 GDADLP COc1c(Br)cccc1C[N@H+]1CCC[C@@H](N2CC[NH2+]CC2=O)C1 ZINC000435383570 531260820 /nfs/dbraw/zinc/26/08/20/531260820.db2.gz IWDOVUGJBDOJPO-CQSZACIVSA-N 2 2 382.302 1.854 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436069567 531274779 /nfs/dbraw/zinc/27/47/79/531274779.db2.gz YLLQGRDDCHTDKU-CYBMUJFWSA-N 2 2 386.949 1.679 20 0 GDADLP CN(Cc1ccc(Cl)s1)C(=O)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436069567 531274785 /nfs/dbraw/zinc/27/47/85/531274785.db2.gz YLLQGRDDCHTDKU-CYBMUJFWSA-N 2 2 386.949 1.679 20 0 GDADLP C[N@@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000412965285 531392225 /nfs/dbraw/zinc/39/22/25/531392225.db2.gz BSGRGHXEPVFSKZ-KRWDZBQOSA-N 2 2 396.329 1.860 20 0 GDADLP C[N@H+]1CCO[C@H](C(=O)NC2CC[NH+](Cc3cccc(Br)c3)CC2)C1 ZINC000412965285 531392228 /nfs/dbraw/zinc/39/22/28/531392228.db2.gz BSGRGHXEPVFSKZ-KRWDZBQOSA-N 2 2 396.329 1.860 20 0 GDADLP C[NH+](C)CCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000658428187 531511201 /nfs/dbraw/zinc/51/12/01/531511201.db2.gz SKSCWWVNAACMKD-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP C[NH+](C)CCC[N@@H+](C)CCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000658428187 531511204 /nfs/dbraw/zinc/51/12/04/531511204.db2.gz SKSCWWVNAACMKD-UHFFFAOYSA-N 2 2 375.300 1.932 20 0 GDADLP C[C@H](C[C@@H]1COCC[NH2+]1)[NH2+][C@H]1CCN(c2cccc(Br)c2)C1=O ZINC000583806552 531594936 /nfs/dbraw/zinc/59/49/36/531594936.db2.gz XCOKBKZAMNUYMN-XPKDYRNWSA-N 2 2 382.302 1.911 20 0 GDADLP CC[NH2+]CCCNC(=O)C(=O)NCc1cn2cc(Br)cc(C)c2[nH+]1 ZINC000584281846 531613216 /nfs/dbraw/zinc/61/32/16/531613216.db2.gz WFIOMASXQRRTSV-UHFFFAOYSA-N 2 2 396.289 1.137 20 0 GDADLP [NH3+]CC(F)(F)CNC(=O)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000418521757 531830237 /nfs/dbraw/zinc/83/02/37/531830237.db2.gz HDNUDHRUDCNLDH-UHFFFAOYSA-N 2 2 376.835 1.640 20 0 GDADLP Brc1cnc(C[NH2+][C@@H]2CCCN(CC[NH+]3CCOCC3)C2)s1 ZINC000641787891 531852380 /nfs/dbraw/zinc/85/23/80/531852380.db2.gz FXCAJIUBXXBUNS-CYBMUJFWSA-N 2 2 389.363 1.792 20 0 GDADLP CO[C@H](c1ccc(Br)cc1)[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C[NH3+] ZINC000563588052 531854769 /nfs/dbraw/zinc/85/47/69/531854769.db2.gz REVWQGSXAUIYAM-RCBQFDQVSA-N 2 2 399.333 1.809 20 0 GDADLP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000563704619 531861936 /nfs/dbraw/zinc/86/19/36/531861936.db2.gz ADIDKDUREPFBIV-AHIWAGSCSA-N 2 2 399.329 1.944 20 0 GDADLP C[C@@H]1C[N@H+](C[C@@H](O)C[NH2+]Cc2cc(Br)cc3c2OCC3)C[C@H](C)O1 ZINC000563704619 531861942 /nfs/dbraw/zinc/86/19/42/531861942.db2.gz ADIDKDUREPFBIV-AHIWAGSCSA-N 2 2 399.329 1.944 20 0 GDADLP COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2Br)CC1 ZINC000595929693 531892989 /nfs/dbraw/zinc/89/29/89/531892989.db2.gz XKILSXPMXSZJSB-WBMJQRKESA-N 2 2 398.301 1.545 20 0 GDADLP C[NH+](C)C[C@H](NC[C@H](O)C[NH+]1CCOCC1)c1ccc(Cl)c(Cl)c1 ZINC000625983483 531921414 /nfs/dbraw/zinc/92/14/14/531921414.db2.gz RJRXBYUSDUOAID-YOEHRIQHSA-N 2 2 376.328 1.879 20 0 GDADLP CS(=O)(=O)N1CCC([NH2+]C2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000684411531 531941039 /nfs/dbraw/zinc/94/10/39/531941039.db2.gz YFGBAVNJPZKURF-UHFFFAOYSA-N 2 2 383.480 1.805 20 0 GDADLP COc1cc(NC(=O)N2CC[N@H+](C)C[C@@H]2C[NH3+])cc(OC)c1Br ZINC000571055938 531948188 /nfs/dbraw/zinc/94/81/88/531948188.db2.gz IJIBTVADHYWXHO-NSHDSACASA-N 2 2 387.278 1.573 20 0 GDADLP COc1cc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C[NH3+])cc(OC)c1Br ZINC000571055938 531948195 /nfs/dbraw/zinc/94/81/95/531948195.db2.gz IJIBTVADHYWXHO-NSHDSACASA-N 2 2 387.278 1.573 20 0 GDADLP C[N@@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000572856590 531970968 /nfs/dbraw/zinc/97/09/68/531970968.db2.gz DTZTZGULHQSWKL-CQSZACIVSA-N 2 2 375.300 1.794 20 0 GDADLP C[N@H+]1CCN(C(=O)NCCOCc2ccc(Cl)cc2Cl)[C@H](C[NH3+])C1 ZINC000572856590 531970976 /nfs/dbraw/zinc/97/09/76/531970976.db2.gz DTZTZGULHQSWKL-CQSZACIVSA-N 2 2 375.300 1.794 20 0 GDADLP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC(n3cc(Br)cn3)CC2)CC1 ZINC000374012556 532107885 /nfs/dbraw/zinc/10/78/85/532107885.db2.gz SCKQGSOTXTVJBG-CQSZACIVSA-N 2 2 398.349 1.835 20 0 GDADLP C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)CC[NH2+]1 ZINC000333250824 532227236 /nfs/dbraw/zinc/22/72/36/532227236.db2.gz CKTAUIVZVZSYJU-LLVKDONJSA-N 2 2 384.278 1.506 20 0 GDADLP C[C@@H]1CN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)[C@H](C)C[NH2+]1 ZINC000333356233 532231313 /nfs/dbraw/zinc/23/13/13/532231313.db2.gz SASXQRGVCQTVSU-VXGBXAGGSA-N 2 2 398.305 1.895 20 0 GDADLP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Nc2cc(N3CCOCC3)c(Br)c[nH+]2)C1 ZINC000333393547 532233009 /nfs/dbraw/zinc/23/30/09/532233009.db2.gz XVHMHTCVIQFKOP-VXGBXAGGSA-N 2 2 398.305 1.882 20 0 GDADLP CN(C)S(=O)(=O)c1cc(NC(=O)C[NH2+][C@](C)(C[NH3+])C2CC2)ccc1Cl ZINC000430581872 532251943 /nfs/dbraw/zinc/25/19/43/532251943.db2.gz IJCZVQBIEQHYBY-MRXNPFEDSA-N 2 2 388.921 1.246 20 0 GDADLP C[NH+]1CCC(CNC(=O)c2cccc(-c3nn[nH]n3)c2)([NH+]2CCCCC2)CC1 ZINC000736847533 599231435 /nfs/dbraw/zinc/23/14/35/599231435.db2.gz GVZXXLUWLWVSJL-UHFFFAOYSA-N 2 2 383.500 1.547 20 0 GDADLP Cc1cccc2c1[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000822337202 599524414 /nfs/dbraw/zinc/52/44/14/599524414.db2.gz VIDGIAAXTIXTRJ-IAGOWNOFSA-N 2 2 379.468 1.759 20 0 GDADLP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(F)c(-c4nn[nH]n4)c3)CC2)CC1 ZINC000824296516 607472067 /nfs/dbraw/zinc/47/20/67/607472067.db2.gz IIJIMOBUBFKILC-UHFFFAOYSA-N 2 2 387.507 1.996 20 0 GDADLP O=C(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410420 607478602 /nfs/dbraw/zinc/47/86/02/607478602.db2.gz MPGKNDAGYUOGMJ-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410420 607478603 /nfs/dbraw/zinc/47/86/03/607478603.db2.gz MPGKNDAGYUOGMJ-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410420 607478605 /nfs/dbraw/zinc/47/86/05/607478605.db2.gz MPGKNDAGYUOGMJ-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP O=C(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)NCc1cccc(-c2nn[nH]n2)c1 ZINC000826410420 607478607 /nfs/dbraw/zinc/47/86/07/607478607.db2.gz MPGKNDAGYUOGMJ-PKOBYXMFSA-N 2 2 395.511 1.432 20 0 GDADLP CC[NH+]1CCC(Nc2nc[nH+]c(NC3CC[NH+](CC)CC3)c2C(=O)[O-])CC1 ZINC000829760856 605013875 /nfs/dbraw/zinc/01/38/75/605013875.db2.gz XPTIEELYJVSUBT-UHFFFAOYSA-N 2 2 376.505 1.967 20 0 GDADLP CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000821622197 606466744 /nfs/dbraw/zinc/46/67/44/606466744.db2.gz VUOHAQPGAVYOSI-ZDUSSCGKSA-N 2 2 376.896 1.520 20 0 GDADLP CN(c1ccc(Cl)c(-c2nn[nH]n2)n1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000821622197 606466745 /nfs/dbraw/zinc/46/67/45/606466745.db2.gz VUOHAQPGAVYOSI-ZDUSSCGKSA-N 2 2 376.896 1.520 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716745 607097916 /nfs/dbraw/zinc/09/79/16/607097916.db2.gz KUMOHJJLDKYCTI-CPUCHLNUSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@H](C(=O)Nc1ccccc1-c1nn[nH]n1)[N@H+]1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000820716745 607097918 /nfs/dbraw/zinc/09/79/18/607097918.db2.gz KUMOHJJLDKYCTI-CPUCHLNUSA-N 2 2 380.456 1.973 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716595 607098336 /nfs/dbraw/zinc/09/83/36/607098336.db2.gz JVGHRPNBOKTWGY-JKIFEVAISA-N 2 2 380.456 1.973 20 0 GDADLP C[C@@H](C(=O)Nc1cccc(-c2nn[nH]n2)c1)[N@H+]1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000820716595 607098337 /nfs/dbraw/zinc/09/83/37/607098337.db2.gz JVGHRPNBOKTWGY-JKIFEVAISA-N 2 2 380.456 1.973 20 0 GDADLP c1ccc2c(c1)[nH+]cc(-c1nn[nH]n1)c2N1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000823791809 607175309 /nfs/dbraw/zinc/17/53/09/607175309.db2.gz IUTPHMWIMAPLDV-HNNXBMFYSA-N 2 2 379.468 1.964 20 0 GDADLP C[N@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825980503 607820867 /nfs/dbraw/zinc/82/08/67/607820867.db2.gz BRESGOKPFCLABM-INIZCTEOSA-N 2 2 395.515 1.605 20 0 GDADLP C[N@@H+](Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CNc2c(-c3nn[nH]n3)cnn2C1 ZINC000825980503 607820868 /nfs/dbraw/zinc/82/08/68/607820868.db2.gz BRESGOKPFCLABM-INIZCTEOSA-N 2 2 395.515 1.605 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000826262709 607904664 /nfs/dbraw/zinc/90/46/64/607904664.db2.gz WJCVIGNMCSBGNE-SJPCQFCGSA-N 2 2 382.516 1.626 20 0 GDADLP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[NH+](C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000826262709 607904665 /nfs/dbraw/zinc/90/46/65/607904665.db2.gz WJCVIGNMCSBGNE-SJPCQFCGSA-N 2 2 382.516 1.626 20 0 GDADLP Cc1c(Cl)cnc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826239027 609551342 /nfs/dbraw/zinc/55/13/42/609551342.db2.gz WJCYRMACDNJYII-GFCCVEGCSA-N 2 2 376.896 1.804 20 0 GDADLP Cc1c(Cl)cnc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c1-c1nn[nH]n1 ZINC000826239027 609551344 /nfs/dbraw/zinc/55/13/44/609551344.db2.gz WJCYRMACDNJYII-GFCCVEGCSA-N 2 2 376.896 1.804 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000042229175 644331301 /nfs/dbraw/zinc/33/13/01/644331301.db2.gz LZPOGAGAQDHZJL-HIFRSBDPSA-N 2 2 386.949 1.778 20 0 GDADLP Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000042229175 644331309 /nfs/dbraw/zinc/33/13/09/644331309.db2.gz LZPOGAGAQDHZJL-HIFRSBDPSA-N 2 2 386.949 1.778 20 0 GDADLP Cn1cc(Br)c(C(=O)NC2CC[NH+](C3CC[NH+](C)CC3)CC2)n1 ZINC000328796784 645277512 /nfs/dbraw/zinc/27/75/12/645277512.db2.gz VEHBRVGHDQIELA-UHFFFAOYSA-N 2 2 384.322 1.471 20 0 GDADLP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496118 659318371 /nfs/dbraw/zinc/31/83/71/659318371.db2.gz GNQBLMFDFZPLGC-VXGBXAGGSA-N 2 2 375.441 1.538 20 0 GDADLP C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(S(=O)(=O)C(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496118 659318375 /nfs/dbraw/zinc/31/83/75/659318375.db2.gz GNQBLMFDFZPLGC-VXGBXAGGSA-N 2 2 375.441 1.538 20 0 GDADLP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCC[NH+]1CCOCC1 ZINC000463850980 647567294 /nfs/dbraw/zinc/56/72/94/647567294.db2.gz ZEVFGGDFWSQOPO-ROUUACIJSA-N 2 2 375.579 1.529 20 0 GDADLP NS(=O)(=O)c1ccc(C[NH2+]CCCCn2cc[nH+]c2)cc1Br ZINC000516257634 648519407 /nfs/dbraw/zinc/51/94/07/648519407.db2.gz AMEQPXHFFDDFJD-UHFFFAOYSA-N 2 2 387.303 1.863 20 0 GDADLP CN(C)S(=O)(=O)N1CCCC[C@@H]1C[NH2+]Cc1cc(-n2cc[nH+]c2)cs1 ZINC000578694368 651808504 /nfs/dbraw/zinc/80/85/04/651808504.db2.gz SQXQERKYUGIZOE-CQSZACIVSA-N 2 2 383.543 1.684 20 0 GDADLP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)S(=O)(=O)CC1([NH+](C)C)CC1 ZINC000631813023 653256238 /nfs/dbraw/zinc/25/62/38/653256238.db2.gz JCEIFRYYLJUIHK-UHFFFAOYSA-N 2 2 375.485 1.752 20 0 GDADLP O=C([C@H]1CCC[N@@H+](Cc2ncc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000631821420 653257458 /nfs/dbraw/zinc/25/74/58/653257458.db2.gz XIQHOEGMHPMRFT-LBPRGKRZSA-N 2 2 385.281 1.627 20 0 GDADLP O=C([C@H]1CCC[N@H+](Cc2ncc(Br)cc2F)C1)N1CC[NH2+]CC1 ZINC000631821420 653257466 /nfs/dbraw/zinc/25/74/66/653257466.db2.gz XIQHOEGMHPMRFT-LBPRGKRZSA-N 2 2 385.281 1.627 20 0 GDADLP C[NH+]1CCN([C@H](C[NH2+]Cc2ccc(S(N)(=O)=O)o2)c2cccs2)CC1 ZINC000638288774 653537426 /nfs/dbraw/zinc/53/74/26/653537426.db2.gz ZRLXRNKCFCTTDI-CQSZACIVSA-N 2 2 384.527 1.067 20 0 GDADLP Brc1cnc2c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cnn2c1 ZINC000639326746 653549932 /nfs/dbraw/zinc/54/99/32/653549932.db2.gz FETBFSGOFVDBQX-HNNXBMFYSA-N 2 2 380.290 1.835 20 0 GDADLP Cc1nn(C)c(NC(=O)NCC[N@H+](C)CCC[NH+](C)C)c1Br ZINC000640168777 653556365 /nfs/dbraw/zinc/55/63/65/653556365.db2.gz GDMASBSELLGTRY-UHFFFAOYSA-N 2 2 375.315 1.496 20 0 GDADLP Cc1nn(C)c(NC(=O)NCC[N@@H+](C)CCC[NH+](C)C)c1Br ZINC000640168777 653556367 /nfs/dbraw/zinc/55/63/67/653556367.db2.gz GDMASBSELLGTRY-UHFFFAOYSA-N 2 2 375.315 1.496 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780437 653655180 /nfs/dbraw/zinc/65/51/80/653655180.db2.gz JBPXHEXJCFAEOW-ZFWWWQNUSA-N 2 2 398.349 1.881 20 0 GDADLP C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1)n1cc(Br)cn1 ZINC000648780437 653655181 /nfs/dbraw/zinc/65/51/81/653655181.db2.gz JBPXHEXJCFAEOW-ZFWWWQNUSA-N 2 2 398.349 1.881 20 0 GDADLP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294113 654183518 /nfs/dbraw/zinc/18/35/18/654183518.db2.gz GGSOSFYETPVAPW-CJNGLKHVSA-N 2 2 384.318 1.842 20 0 GDADLP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000658294112 654183550 /nfs/dbraw/zinc/18/35/50/654183550.db2.gz GGSOSFYETPVAPW-BBRMVZONSA-N 2 2 384.318 1.842 20 0 GDADLP Cc1nn(C)c(Br)c1C(=O)NC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000801090458 654908498 /nfs/dbraw/zinc/90/84/98/654908498.db2.gz FBFQXOZPAQXRAM-UHFFFAOYSA-N 2 2 398.349 1.779 20 0 GDADLP Cc1cc(Br)cn2cc(CCNC(=S)NCC[NH+](C)C)[nH+]c12 ZINC000757941103 655046845 /nfs/dbraw/zinc/04/68/45/655046845.db2.gz SNDGYYFNQCRHBZ-UHFFFAOYSA-N 2 2 384.347 1.973 20 0 GDADLP CC(C)[NH+](CCS(=O)(=O)CC[N@@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000812861069 655221923 /nfs/dbraw/zinc/22/19/23/655221923.db2.gz FONADRDFADDHQI-ROUUACIJSA-N 2 2 376.563 1.400 20 0 GDADLP CC(C)[NH+](CCS(=O)(=O)CC[N@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000812861069 655221924 /nfs/dbraw/zinc/22/19/24/655221924.db2.gz FONADRDFADDHQI-ROUUACIJSA-N 2 2 376.563 1.400 20 0 GDADLP Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658895 655952721 /nfs/dbraw/zinc/95/27/21/655952721.db2.gz ADCRWIQAYZQQKA-GXTWGEPZSA-N 2 2 384.322 1.263 20 0 GDADLP Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(Br)n1 ZINC000866658895 655952723 /nfs/dbraw/zinc/95/27/23/655952723.db2.gz ADCRWIQAYZQQKA-GXTWGEPZSA-N 2 2 384.322 1.263 20 0 GDADLP O=C1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccc(Br)cc1 ZINC000866670073 655952921 /nfs/dbraw/zinc/95/29/21/655952921.db2.gz UADBBJQYNOZZNV-MRXNPFEDSA-N 2 2 394.313 1.614 20 0 GDADLP O=C1C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCN1Cc1ccc(Br)cc1 ZINC000866670073 655952922 /nfs/dbraw/zinc/95/29/22/655952922.db2.gz UADBBJQYNOZZNV-MRXNPFEDSA-N 2 2 394.313 1.614 20 0 GDADLP CC[C@@H]1COCC[N@@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435241 656674558 /nfs/dbraw/zinc/67/45/58/656674558.db2.gz ZINQZTDBBWYOKY-WBVHZDCISA-N 2 2 384.318 1.850 20 0 GDADLP CC[C@@H]1COCC[N@H+]1CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000877435241 656674561 /nfs/dbraw/zinc/67/45/61/656674561.db2.gz ZINQZTDBBWYOKY-WBVHZDCISA-N 2 2 384.318 1.850 20 0 GDADLP CN(CC[N@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Br)nn1C ZINC000879641856 656813311 /nfs/dbraw/zinc/81/33/11/656813311.db2.gz AUGYZYOXPAOANH-UHFFFAOYSA-N 2 2 387.326 1.672 20 0 GDADLP CN(CC[N@@H+](C)C1CC[NH+](C)CC1)C(=O)Nc1cc(Br)nn1C ZINC000879641856 656813323 /nfs/dbraw/zinc/81/33/23/656813323.db2.gz AUGYZYOXPAOANH-UHFFFAOYSA-N 2 2 387.326 1.672 20 0 GDADLP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)C2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000929961056 656993527 /nfs/dbraw/zinc/99/35/27/656993527.db2.gz KOXUYKJNIHMQCH-MRXNPFEDSA-N 2 2 375.579 1.450 20 0 GDADLP COC(=O)CC[N@@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000884331892 657347921 /nfs/dbraw/zinc/34/79/21/657347921.db2.gz ZSQUBBJVCBFCAA-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP COC(=O)CC[N@H+]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C ZINC000884331892 657347927 /nfs/dbraw/zinc/34/79/27/657347927.db2.gz ZSQUBBJVCBFCAA-LRDDRELGSA-N 2 2 398.301 1.545 20 0 GDADLP