smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COCC[N@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1O ZINC000826158744 947500852 /nfs/dbraw/zinc/50/08/52/947500852.db2.gz ATILZQPTRLETDT-UHFFFAOYSA-N 1 2 391.834 3.013 20 10 GGCDLO COCC[N@@H+](Cc1ccc(-c2nn[nH]n2)cc1)Cc1cc(Cl)cc(F)c1O ZINC000826158744 947500861 /nfs/dbraw/zinc/50/08/61/947500861.db2.gz ATILZQPTRLETDT-UHFFFAOYSA-N 1 2 391.834 3.013 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)Cc3ccc(Cl)s3)CC2)cc1 ZINC000007278467 204237824 /nfs/dbraw/zinc/23/78/24/204237824.db2.gz LKZICOVZCQXFDY-UHFFFAOYSA-N 1 2 393.940 3.191 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)Cc3ccc(Cl)s3)CC2)cc1 ZINC000007278467 204237826 /nfs/dbraw/zinc/23/78/26/204237826.db2.gz LKZICOVZCQXFDY-UHFFFAOYSA-N 1 2 393.940 3.191 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@H+](Cc3ccccc3F)C3CC3)CC2)cc1 ZINC000010056575 204330218 /nfs/dbraw/zinc/33/02/18/204330218.db2.gz YZKZETDLPJVUHP-UHFFFAOYSA-N 1 2 397.494 3.148 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](Cc3ccccc3F)C3CC3)CC2)cc1 ZINC000010056575 204330223 /nfs/dbraw/zinc/33/02/23/204330223.db2.gz YZKZETDLPJVUHP-UHFFFAOYSA-N 1 2 397.494 3.148 20 10 GGCDLO CC[C@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000156613706 565097603 /nfs/dbraw/zinc/09/76/03/565097603.db2.gz KFDYIKCTMOZUMB-UONOGXRCSA-N 1 2 383.279 3.279 20 10 GGCDLO C[C@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)cc(Br)c1[O-] ZINC000184868523 565162041 /nfs/dbraw/zinc/16/20/41/565162041.db2.gz ZHTSLXDWYMSZOK-VIFPVBQESA-N 1 2 389.091 3.465 20 10 GGCDLO CC(=O)NCCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000184921717 565166026 /nfs/dbraw/zinc/16/60/26/565166026.db2.gz SMRTZAQRAHNPJV-MRVPVSSYSA-N 1 2 394.107 3.094 20 10 GGCDLO Cc1cc(N2CC[C@H]([NH2+][C@@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)n(C)n1 ZINC000186083662 565238434 /nfs/dbraw/zinc/23/84/34/565238434.db2.gz VCODXTAQFUWDHU-GWCFXTLKSA-N 1 2 383.279 3.197 20 10 GGCDLO C[C@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186082554 565238541 /nfs/dbraw/zinc/23/85/41/565238541.db2.gz OARXYDFCKJUCDY-GWCFXTLKSA-N 1 2 383.279 3.279 20 10 GGCDLO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)cc(Br)c1O ZINC000186220454 565246997 /nfs/dbraw/zinc/24/69/97/565246997.db2.gz FUDZIMRZMVODFK-ZETCQYMHSA-N 1 2 394.107 3.079 20 10 GGCDLO COC[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000271731533 565265928 /nfs/dbraw/zinc/26/59/28/565265928.db2.gz NCLOGCXLLQIOKL-SECBINFHSA-N 1 2 379.092 3.386 20 10 GGCDLO COC[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000271731533 565265930 /nfs/dbraw/zinc/26/59/30/565265930.db2.gz NCLOGCXLLQIOKL-SECBINFHSA-N 1 2 379.092 3.386 20 10 GGCDLO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000186540373 565267870 /nfs/dbraw/zinc/26/78/70/565267870.db2.gz ZEAAZMPOZJBPNQ-QQJLPTOTSA-N 1 2 399.148 3.335 20 10 GGCDLO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000273444085 565320961 /nfs/dbraw/zinc/32/09/61/565320961.db2.gz ZKFZAIGJZYKXEO-JGVFFNPUSA-N 1 2 394.107 3.092 20 10 GGCDLO CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000273444080 565321242 /nfs/dbraw/zinc/32/12/42/565321242.db2.gz ZKFZAIGJZYKXEO-HTQZYQBOSA-N 1 2 394.107 3.092 20 10 GGCDLO CNC(=O)CCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000273585185 565326132 /nfs/dbraw/zinc/32/61/32/565326132.db2.gz NPNZIRIELFVCHW-QMMMGPOBSA-N 1 2 394.107 3.094 20 10 GGCDLO C[C@H]([NH2+]C[C@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1O ZINC000375846892 565408795 /nfs/dbraw/zinc/40/87/95/565408795.db2.gz KRTWBMDPUQDKIC-YAXFVEMYSA-N 1 2 386.279 3.070 20 10 GGCDLO C[C@H]([NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)C(=O)N(C)C ZINC000189013123 565437984 /nfs/dbraw/zinc/43/79/84/565437984.db2.gz ZDWBHTNEXVNXDK-YUMQZZPRSA-N 1 2 394.107 3.045 20 10 GGCDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc(N2CC=CC2)cc1 ZINC000301352280 565480374 /nfs/dbraw/zinc/48/03/74/565480374.db2.gz LSAPVETZMQZMPV-UHFFFAOYSA-N 1 2 385.269 3.114 20 10 GGCDLO CC(=O)N(c1nc(C[NH2+]Cc2cccc(Br)c2O)cs1)C1CC1 ZINC000278386689 565555193 /nfs/dbraw/zinc/55/51/93/565555193.db2.gz MHQQUQSJYOPKDP-UHFFFAOYSA-N 1 2 396.310 3.416 20 10 GGCDLO COc1cc(Br)cc(C[N@@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191737977 565628016 /nfs/dbraw/zinc/62/80/16/565628016.db2.gz ZUHKXYAARBLANI-CQSZACIVSA-N 1 2 398.326 3.187 20 10 GGCDLO COc1cc(Br)cc(C[N@H+]2CCSC[C@@H]2c2cnn(C)c2)c1O ZINC000191737977 565628021 /nfs/dbraw/zinc/62/80/21/565628021.db2.gz ZUHKXYAARBLANI-CQSZACIVSA-N 1 2 398.326 3.187 20 10 GGCDLO Cc1nn(C)c(C[NH2+]Cc2cccc(Br)c2O)c1Br ZINC000279693453 565628152 /nfs/dbraw/zinc/62/81/52/565628152.db2.gz BXJRWPSJGWTLAI-UHFFFAOYSA-N 1 2 389.091 3.249 20 10 GGCDLO CC[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287271557 566007731 /nfs/dbraw/zinc/00/77/31/566007731.db2.gz AXSUNYALSYEFGP-QMTHXVAHSA-N 1 2 381.325 3.021 20 10 GGCDLO CC[C@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1O ZINC000287265549 566007854 /nfs/dbraw/zinc/00/78/54/566007854.db2.gz AQTCZWUFIULSRU-WFASDCNBSA-N 1 2 377.794 3.270 20 10 GGCDLO CC[C@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1O ZINC000287265542 566007988 /nfs/dbraw/zinc/00/79/88/566007988.db2.gz AQTCZWUFIULSRU-SWLSCSKDSA-N 1 2 377.794 3.270 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000180341091 566055672 /nfs/dbraw/zinc/05/56/72/566055672.db2.gz CBYBHFAJJGCNSL-VIFPVBQESA-N 1 2 379.092 3.433 20 10 GGCDLO CC[C@@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287850631 566044054 /nfs/dbraw/zinc/04/40/54/566044054.db2.gz WSWUBVLDBQMBDF-MRXNPFEDSA-N 1 2 388.339 3.292 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000181784626 566166140 /nfs/dbraw/zinc/16/61/40/566166140.db2.gz JOQUEDLCKVIAPG-QGZVFWFLSA-N 1 2 381.881 3.124 20 10 GGCDLO O=C(NCCc1cn2c([nH+]1)CCCC2)NCc1cc(Cl)cc(Cl)c1O ZINC000367753884 566214350 /nfs/dbraw/zinc/21/43/50/566214350.db2.gz TWSYKRCKZGMVDK-UHFFFAOYSA-N 1 2 383.279 3.274 20 10 GGCDLO COc1cc(Br)cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664881 567537125 /nfs/dbraw/zinc/53/71/25/567537125.db2.gz GRGPPULDAUUSRH-UHFFFAOYSA-N 1 2 390.281 3.389 20 10 GGCDLO COc1cc(Br)cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c1O ZINC000529664881 567537133 /nfs/dbraw/zinc/53/71/33/567537133.db2.gz GRGPPULDAUUSRH-UHFFFAOYSA-N 1 2 390.281 3.389 20 10 GGCDLO CCc1[nH+]c2ccccc2n1CC(=O)NCc1ccc(N2CCSCC2)cc1 ZINC000048375153 570249100 /nfs/dbraw/zinc/24/91/00/570249100.db2.gz GLNZIGMEDQSZLS-UHFFFAOYSA-N 1 2 394.544 3.468 20 10 GGCDLO c1nn(-c2ccccc2)c2nc[nH+]c(NCc3ccc(N4CCOCC4)cc3)c12 ZINC000053583195 1406452334 /nfs/dbraw/zinc/45/23/34/1406452334.db2.gz HIAPZVHMCURIGG-UHFFFAOYSA-N 1 2 386.459 3.264 20 10 GGCDLO Cc1ccc(C)c(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000014197696 1399092298 /nfs/dbraw/zinc/09/22/98/1399092298.db2.gz DKGGRMRXSMPEQQ-LGMDPLHJSA-N 1 2 376.547 3.227 20 10 GGCDLO Cc1cccc(N2CC[NH+](CC(=O)N(C)Cc3ccc(N(C)C)cc3)CC2)c1C ZINC000015404240 1399161496 /nfs/dbraw/zinc/16/14/96/1399161496.db2.gz QHDCIXMTKLPJBX-UHFFFAOYSA-N 1 2 394.563 3.150 20 10 GGCDLO CCN(Cc1ccc(N(C)C)cc1)C(=O)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000045491372 1404131034 /nfs/dbraw/zinc/13/10/34/1404131034.db2.gz ISSMUGMBTYOSAK-UHFFFAOYSA-N 1 2 381.524 3.480 20 10 GGCDLO CC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(F)c3)c2C)CC1 ZINC000050991847 1405697606 /nfs/dbraw/zinc/69/76/06/1405697606.db2.gz QLYWTTMIULSXLW-UHFFFAOYSA-N 1 2 385.483 3.325 20 10 GGCDLO CN1CCCc2cc(CNC(=O)NCc3ccc(-n4cc[nH+]c4)cc3)ccc21 ZINC000058573820 1407846664 /nfs/dbraw/zinc/84/66/64/1407846664.db2.gz WVIOXQQKVWFHHK-UHFFFAOYSA-N 1 2 375.476 3.254 20 10 GGCDLO COC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000070975574 1409808891 /nfs/dbraw/zinc/80/88/91/1409808891.db2.gz HRCDKGICLIUGPN-UHFFFAOYSA-N 1 2 394.427 3.413 20 10 GGCDLO COC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000070975574 1409808895 /nfs/dbraw/zinc/80/88/95/1409808895.db2.gz HRCDKGICLIUGPN-UHFFFAOYSA-N 1 2 394.427 3.413 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC(=O)NC1CCCCC1 ZINC000070975487 1409808948 /nfs/dbraw/zinc/80/89/48/1409808948.db2.gz ZDHMGEFBLMMWTB-UHFFFAOYSA-N 1 2 385.464 3.146 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC(=O)NC1CCCCC1 ZINC000070975487 1409808950 /nfs/dbraw/zinc/80/89/50/1409808950.db2.gz ZDHMGEFBLMMWTB-UHFFFAOYSA-N 1 2 385.464 3.146 20 10 GGCDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976199 1409809396 /nfs/dbraw/zinc/80/93/96/1409809396.db2.gz URBXCRSPXCWYOP-SFHVURJKSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000070976199 1409809397 /nfs/dbraw/zinc/80/93/97/1409809397.db2.gz URBXCRSPXCWYOP-SFHVURJKSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000070976097 1409809499 /nfs/dbraw/zinc/80/94/99/1409809499.db2.gz NIUUQRMWCGFCIS-HXUWFJFHSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)c1 ZINC000070976097 1409809502 /nfs/dbraw/zinc/80/95/02/1409809502.db2.gz NIUUQRMWCGFCIS-HXUWFJFHSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1ccccc1NC(=O)C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976201 1409809614 /nfs/dbraw/zinc/80/96/14/1409809614.db2.gz URBXCRSPXCWYOP-GOSISDBHSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1ccccc1NC(=O)C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000070976201 1409809615 /nfs/dbraw/zinc/80/96/15/1409809615.db2.gz URBXCRSPXCWYOP-GOSISDBHSA-N 1 2 382.460 3.215 20 10 GGCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000071962014 1409834079 /nfs/dbraw/zinc/83/40/79/1409834079.db2.gz RRXHHXCOIFASRL-UHFFFAOYSA-N 1 2 381.476 3.049 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000071962014 1409834081 /nfs/dbraw/zinc/83/40/81/1409834081.db2.gz RRXHHXCOIFASRL-UHFFFAOYSA-N 1 2 381.476 3.049 20 10 GGCDLO COc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1O ZINC000092589657 1410178059 /nfs/dbraw/zinc/17/80/59/1410178059.db2.gz CWZJGWWBQTUWAG-UHFFFAOYSA-N 1 2 378.831 3.151 20 10 GGCDLO O=C(c1cccc(O)c1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000092937595 1410210646 /nfs/dbraw/zinc/21/06/46/1410210646.db2.gz YTXBHAMIJXJUHF-UHFFFAOYSA-N 1 2 379.504 3.341 20 10 GGCDLO C[C@H](c1cccnc1)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093413079 1410243423 /nfs/dbraw/zinc/24/34/23/1410243423.db2.gz DPOKLRCESLFORI-CQSZACIVSA-N 1 2 376.298 3.429 20 10 GGCDLO O=C1/C(=C\c2cc3ccccc3o2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000096935947 1410337589 /nfs/dbraw/zinc/33/75/89/1410337589.db2.gz QLKANZZXPJEKML-GHRIWEEISA-N 1 2 388.514 3.356 20 10 GGCDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000097576290 1410380118 /nfs/dbraw/zinc/38/01/18/1410380118.db2.gz PPJUNQUOFNUWPO-FQEVSTJZSA-N 1 2 377.444 3.399 20 10 GGCDLO O=C(c1ccc(-n2cc[nH+]c2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000097576291 1410380288 /nfs/dbraw/zinc/38/02/88/1410380288.db2.gz PPJUNQUOFNUWPO-HXUWFJFHSA-N 1 2 377.444 3.399 20 10 GGCDLO COc1ccc(N2CCC[N@H+](Cn3c(=O)sc4c3CC[C@H](C)C4)CC2)cc1 ZINC000102764688 1410734975 /nfs/dbraw/zinc/73/49/75/1410734975.db2.gz CWDRNNWQAZPUKN-INIZCTEOSA-N 1 2 387.549 3.213 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](Cn3c(=O)sc4c3CC[C@H](C)C4)CC2)cc1 ZINC000102764688 1410735002 /nfs/dbraw/zinc/73/50/02/1410735002.db2.gz CWDRNNWQAZPUKN-INIZCTEOSA-N 1 2 387.549 3.213 20 10 GGCDLO CN(C)c1ccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000104770884 1410959240 /nfs/dbraw/zinc/95/92/40/1410959240.db2.gz NZGWIPPHVXEHNG-UHFFFAOYSA-N 1 2 379.464 3.350 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)NCCCCNc3cccc[nH+]3)CC2)cc1 ZINC000105228522 1411044471 /nfs/dbraw/zinc/04/44/71/1411044471.db2.gz IZELPPQWSGIZIG-UHFFFAOYSA-N 1 2 397.523 3.251 20 10 GGCDLO Cc1cc(C(=O)N2CC[NH+](Cc3ccc(C#N)cc3)CC2)c(C)n1-c1ccccn1 ZINC000105946835 1411132561 /nfs/dbraw/zinc/13/25/61/1411132561.db2.gz LGZKTQFRUYOTMW-UHFFFAOYSA-N 1 2 399.498 3.319 20 10 GGCDLO CCOCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(C(C)=O)c2O)CC1 ZINC000177025970 1428559377 /nfs/dbraw/zinc/55/93/77/1428559377.db2.gz MYUXXESGQMGULC-UHFFFAOYSA-N 1 2 396.915 3.003 20 10 GGCDLO CC1CCN(c2ccc(CNC(=O)N3CCN(c4cccc[nH+]4)CC3)cc2)CC1 ZINC000108443943 1411502194 /nfs/dbraw/zinc/50/21/94/1411502194.db2.gz NUWODXPKOKQZBU-UHFFFAOYSA-N 1 2 393.535 3.350 20 10 GGCDLO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000108927662 1411641246 /nfs/dbraw/zinc/64/12/46/1411641246.db2.gz CYHJEWOLURUZRG-NRFANRHFSA-N 1 2 397.519 3.215 20 10 GGCDLO CCCN(Cc1ccccc1O)C(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000108927662 1411641256 /nfs/dbraw/zinc/64/12/56/1411641256.db2.gz CYHJEWOLURUZRG-NRFANRHFSA-N 1 2 397.519 3.215 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCCOc1ccc(F)cc1 ZINC000109761352 1411808165 /nfs/dbraw/zinc/80/81/65/1411808165.db2.gz JQKFJRMIHHQMIN-UHFFFAOYSA-N 1 2 398.434 3.322 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCCOc1ccc(F)cc1 ZINC000109761352 1411808166 /nfs/dbraw/zinc/80/81/66/1411808166.db2.gz JQKFJRMIHHQMIN-UHFFFAOYSA-N 1 2 398.434 3.322 20 10 GGCDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1O ZINC000109779637 1411809628 /nfs/dbraw/zinc/80/96/28/1411809628.db2.gz MBUJYDGZCHHXFG-UHFFFAOYSA-N 1 2 376.840 3.049 20 10 GGCDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1)Cc1cc(Cl)ccc1O ZINC000109779637 1411809629 /nfs/dbraw/zinc/80/96/29/1411809629.db2.gz MBUJYDGZCHHXFG-UHFFFAOYSA-N 1 2 376.840 3.049 20 10 GGCDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Cl)ccc1O ZINC000109779640 1411809638 /nfs/dbraw/zinc/80/96/38/1411809638.db2.gz DOZYHIZBKRQEOS-UHFFFAOYSA-N 1 2 394.830 3.189 20 10 GGCDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1F)Cc1cc(Cl)ccc1O ZINC000109779640 1411809640 /nfs/dbraw/zinc/80/96/40/1411809640.db2.gz DOZYHIZBKRQEOS-UHFFFAOYSA-N 1 2 394.830 3.189 20 10 GGCDLO OCC1CCN(c2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2)CC1 ZINC000110238618 1411839573 /nfs/dbraw/zinc/83/95/73/1411839573.db2.gz OKALPYRCGYRAQB-UHFFFAOYSA-N 1 2 381.524 3.288 20 10 GGCDLO OCC1CCN(c2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2)CC1 ZINC000110238618 1411839574 /nfs/dbraw/zinc/83/95/74/1411839574.db2.gz OKALPYRCGYRAQB-UHFFFAOYSA-N 1 2 381.524 3.288 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCCOc1cccc(F)c1 ZINC000111232845 1411896675 /nfs/dbraw/zinc/89/66/75/1411896675.db2.gz DONCRUCIHWTCBS-UHFFFAOYSA-N 1 2 398.434 3.322 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCCOc1cccc(F)c1 ZINC000111232845 1411896676 /nfs/dbraw/zinc/89/66/76/1411896676.db2.gz DONCRUCIHWTCBS-UHFFFAOYSA-N 1 2 398.434 3.322 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000177199295 1428627306 /nfs/dbraw/zinc/62/73/06/1428627306.db2.gz IUGQWTNSNWTNEZ-AWEZNQCLSA-N 1 2 390.827 3.238 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000177199295 1428627312 /nfs/dbraw/zinc/62/73/12/1428627312.db2.gz IUGQWTNSNWTNEZ-AWEZNQCLSA-N 1 2 390.827 3.238 20 10 GGCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CN(C2CCCC2)C1=O ZINC000113238882 1412280914 /nfs/dbraw/zinc/28/09/14/1412280914.db2.gz ILPNBAZEKDJLKT-UHFFFAOYSA-N 1 2 384.524 3.273 20 10 GGCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)CN(C2CCCC2)C1=O ZINC000113238882 1412280915 /nfs/dbraw/zinc/28/09/15/1412280915.db2.gz ILPNBAZEKDJLKT-UHFFFAOYSA-N 1 2 384.524 3.273 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000177289062 1428672997 /nfs/dbraw/zinc/67/29/97/1428672997.db2.gz QQBVXQCENCLIHD-UHFFFAOYSA-N 1 2 398.478 3.401 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)CCc3ccccc3)CC2)c1O ZINC000177289062 1428673008 /nfs/dbraw/zinc/67/30/08/1428673008.db2.gz QQBVXQCENCLIHD-UHFFFAOYSA-N 1 2 398.478 3.401 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@H+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000119175037 1413365791 /nfs/dbraw/zinc/36/57/91/1413365791.db2.gz GVHBMVHMNXWDDU-KRWDZBQOSA-N 1 2 383.492 3.162 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]([C@@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000119175037 1413365795 /nfs/dbraw/zinc/36/57/95/1413365795.db2.gz GVHBMVHMNXWDDU-KRWDZBQOSA-N 1 2 383.492 3.162 20 10 GGCDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000120977264 1413965654 /nfs/dbraw/zinc/96/56/54/1413965654.db2.gz GNSDLOXTGIHQCR-AWEZNQCLSA-N 1 2 379.555 3.023 20 10 GGCDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(Br)ccc1O)C[C@H]2O ZINC000121074436 1413997518 /nfs/dbraw/zinc/99/75/18/1413997518.db2.gz BFKMRPJIFKJZMH-OAHLLOKOSA-N 1 2 394.265 3.221 20 10 GGCDLO COc1ccc(OC)c2c1C[N@@H+](Cc1cc(Br)ccc1O)C[C@@H]2O ZINC000121074292 1413997573 /nfs/dbraw/zinc/99/75/73/1413997573.db2.gz BFKMRPJIFKJZMH-HNNXBMFYSA-N 1 2 394.265 3.221 20 10 GGCDLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2c(O)cccc2Cl)CC1 ZINC000121699028 1414228158 /nfs/dbraw/zinc/22/81/58/1414228158.db2.gz ZPAVDXZSJINBDZ-UHFFFAOYSA-N 1 2 398.887 3.081 20 10 GGCDLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2c(O)cccc2Cl)CC1 ZINC000121699028 1414228164 /nfs/dbraw/zinc/22/81/64/1414228164.db2.gz ZPAVDXZSJINBDZ-UHFFFAOYSA-N 1 2 398.887 3.081 20 10 GGCDLO COc1ccc(N2CC[NH+](Cc3cc(F)cc(C(C)=O)c3O)CC2)cc1F ZINC000122051176 1414349612 /nfs/dbraw/zinc/34/96/12/1414349612.db2.gz FXYSCDXDJZSHHZ-UHFFFAOYSA-N 1 2 376.403 3.204 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1F ZINC000122066964 1414354145 /nfs/dbraw/zinc/35/41/45/1414354145.db2.gz UZFIKYIBASYSFA-QGZVFWFLSA-N 1 2 385.483 3.003 20 10 GGCDLO CC(C)[NH+]1CCN(c2cccc(NS(=O)(=O)c3ccccc3F)c2)CC1 ZINC000126940533 1415614344 /nfs/dbraw/zinc/61/43/44/1415614344.db2.gz AEVFDIPIYMOEPH-UHFFFAOYSA-N 1 2 377.485 3.157 20 10 GGCDLO O=C(NCc1ccco1)[C@@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000128134224 1415921618 /nfs/dbraw/zinc/92/16/18/1415921618.db2.gz DJIINDWXJIJZET-HNNXBMFYSA-N 1 2 379.254 3.029 20 10 GGCDLO O=C(NCc1ccco1)[C@@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000128134224 1415921623 /nfs/dbraw/zinc/92/16/23/1415921623.db2.gz DJIINDWXJIJZET-HNNXBMFYSA-N 1 2 379.254 3.029 20 10 GGCDLO O=C(NCCCSc1nccs1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000151961673 1418106501 /nfs/dbraw/zinc/10/65/01/1418106501.db2.gz WDUHZHBEVFDSJD-UHFFFAOYSA-N 1 2 377.539 3.120 20 10 GGCDLO C[C@H](NC(=O)N1CC[C@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000152816233 1422259198 /nfs/dbraw/zinc/25/91/98/1422259198.db2.gz ZBWWEEZYNSBYIC-BBTUJRGHSA-N 1 2 397.523 3.073 20 10 GGCDLO C[C@H](NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000152816046 1422259389 /nfs/dbraw/zinc/25/93/89/1422259389.db2.gz ZBWWEEZYNSBYIC-WFXMLNOXSA-N 1 2 397.523 3.073 20 10 GGCDLO O=C(N[C@@H]1CCN(c2cccc[nH+]2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000153076327 1422347772 /nfs/dbraw/zinc/34/77/72/1422347772.db2.gz NMHYFDPEFSPUJF-GOSISDBHSA-N 1 2 392.459 3.371 20 10 GGCDLO Cc1cccn2cc(CCNC(=O)NCCCSc3nccs3)[nH+]c12 ZINC000154209996 1422855477 /nfs/dbraw/zinc/85/54/77/1422855477.db2.gz SQLUETXMJUGWAD-UHFFFAOYSA-N 1 2 375.523 3.123 20 10 GGCDLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000154719833 1423010608 /nfs/dbraw/zinc/01/06/08/1423010608.db2.gz XVZWTPJWISOGNU-UHFFFAOYSA-N 1 2 396.491 3.066 20 10 GGCDLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000154719833 1423010617 /nfs/dbraw/zinc/01/06/17/1423010617.db2.gz XVZWTPJWISOGNU-UHFFFAOYSA-N 1 2 396.491 3.066 20 10 GGCDLO COc1cc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c(O)cc1C ZINC000160128352 1424577045 /nfs/dbraw/zinc/57/70/45/1424577045.db2.gz ASRGNDIQLDTBQI-UHFFFAOYSA-N 1 2 392.858 3.460 20 10 GGCDLO Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)c(N(C)C)[nH+]1 ZINC000162496934 1424859061 /nfs/dbraw/zinc/85/90/61/1424859061.db2.gz KZQZGIGEHOMGLY-KRWDZBQOSA-N 1 2 384.480 3.375 20 10 GGCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000162494323 1424859160 /nfs/dbraw/zinc/85/91/60/1424859160.db2.gz PUOFDHOICFBDSY-UHFFFAOYSA-N 1 2 396.491 3.133 20 10 GGCDLO Cc1ccc(NC(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)c(N(C)C)[nH+]1 ZINC000162497033 1424859229 /nfs/dbraw/zinc/85/92/29/1424859229.db2.gz KZQZGIGEHOMGLY-QGZVFWFLSA-N 1 2 384.480 3.375 20 10 GGCDLO CCn1c(C)cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1C ZINC000170878030 1425379366 /nfs/dbraw/zinc/37/93/66/1425379366.db2.gz ALCATKSNYLQCIC-LGMDPLHJSA-N 1 2 393.578 3.048 20 10 GGCDLO CC(C)(CNC(=O)N(Cc1ccccc1O)C1CCCCC1)[NH+]1CCOCC1 ZINC000173367359 1426540827 /nfs/dbraw/zinc/54/08/27/1426540827.db2.gz BULGALBAUBSSQT-UHFFFAOYSA-N 1 2 389.540 3.347 20 10 GGCDLO Cc1ccc(F)cc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000182077308 1430406843 /nfs/dbraw/zinc/40/68/43/1430406843.db2.gz AOQLXPUWTGXARM-VBKFSLOCSA-N 1 2 380.510 3.058 20 10 GGCDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(Cl)c1O ZINC000183514279 1430732250 /nfs/dbraw/zinc/73/22/50/1430732250.db2.gz FOIWHRNMPQLVGX-UHFFFAOYSA-N 1 2 375.856 3.465 20 10 GGCDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1cccc(Cl)c1O ZINC000183514279 1430732254 /nfs/dbraw/zinc/73/22/54/1430732254.db2.gz FOIWHRNMPQLVGX-UHFFFAOYSA-N 1 2 375.856 3.465 20 10 GGCDLO COc1ccc(CN2CC[C@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2=O)cc1 ZINC000187784949 1431812078 /nfs/dbraw/zinc/81/20/78/1431812078.db2.gz HQXSOGBLBGHDBL-PXAZEXFGSA-N 1 2 376.403 3.131 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)c3nnnn3C3CCCCC3)CC2)cc1 ZINC000188848402 1431996404 /nfs/dbraw/zinc/99/64/04/1431996404.db2.gz JMFUPAFDZORWOP-QGZVFWFLSA-N 1 2 384.528 3.460 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@H](C)c3nnnn3C3CCCCC3)CC2)cc1 ZINC000188848402 1431996410 /nfs/dbraw/zinc/99/64/10/1431996410.db2.gz JMFUPAFDZORWOP-QGZVFWFLSA-N 1 2 384.528 3.460 20 10 GGCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3cccc(Br)c3)CC2)cc1 ZINC000192526414 1432855058 /nfs/dbraw/zinc/85/50/58/1432855058.db2.gz SETVVAFNKBHAPR-LJQANCHMSA-N 1 2 391.309 3.313 20 10 GGCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)c3cccc(F)c3)CC2)c1 ZINC000193392428 1432990014 /nfs/dbraw/zinc/99/00/14/1432990014.db2.gz VEYLCMSYZQLTKH-UHFFFAOYSA-N 1 2 386.467 3.492 20 10 GGCDLO O=C(NCc1ccc(N2CCC(CO)CC2)cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC000194057349 1433109268 /nfs/dbraw/zinc/10/92/68/1433109268.db2.gz NSHNQYPPHPTBBA-UHFFFAOYSA-N 1 2 390.487 3.011 20 10 GGCDLO CCn1c(C)cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1C ZINC000255915320 1433891883 /nfs/dbraw/zinc/89/18/83/1433891883.db2.gz ALCATKSNYLQCIC-GHRIWEEISA-N 1 2 393.578 3.048 20 10 GGCDLO COc1cccc(CNC(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c1O ZINC000264182543 1434079064 /nfs/dbraw/zinc/07/90/64/1434079064.db2.gz AATVCXCLUIEHQB-OAHLLOKOSA-N 1 2 385.464 3.116 20 10 GGCDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1O)C[C@H]1CCCO1 ZINC000264695444 1434144899 /nfs/dbraw/zinc/14/48/99/1434144899.db2.gz MXGLYJGMHVAWDV-OAQYLSRUSA-N 1 2 391.471 3.458 20 10 GGCDLO CCC[N@H+](Cc1csc(N(CCOC)C(C)=O)n1)Cc1ccccc1O ZINC000265070722 1434181070 /nfs/dbraw/zinc/18/10/70/1434181070.db2.gz PEPPMLGWMHZIOQ-UHFFFAOYSA-N 1 2 377.510 3.260 20 10 GGCDLO CCC[N@@H+](Cc1csc(N(CCOC)C(C)=O)n1)Cc1ccccc1O ZINC000265070722 1434181075 /nfs/dbraw/zinc/18/10/75/1434181075.db2.gz PEPPMLGWMHZIOQ-UHFFFAOYSA-N 1 2 377.510 3.260 20 10 GGCDLO COc1ccc(N2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)cc1F ZINC000268026584 1434488403 /nfs/dbraw/zinc/48/84/03/1434488403.db2.gz XUNUYBUVIQWBDS-UHFFFAOYSA-N 1 2 394.450 3.042 20 10 GGCDLO COc1c(O)c(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314543 1435379004 /nfs/dbraw/zinc/37/90/04/1435379004.db2.gz XELPRHIYBLYVGF-GWQKEKGPSA-N 1 2 378.450 3.239 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314543 1435379006 /nfs/dbraw/zinc/37/90/06/1435379006.db2.gz XELPRHIYBLYVGF-GWQKEKGPSA-N 1 2 378.450 3.239 20 10 GGCDLO COc1c(O)c(C[N@H+](C)CC(=O)Nc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000278316724 1435379243 /nfs/dbraw/zinc/37/92/43/1435379243.db2.gz XKGLQZGUWHQMCD-UHFFFAOYSA-N 1 2 391.449 3.101 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)CC(=O)Nc2ccccc2SC)ccc1[N+](=O)[O-] ZINC000278316724 1435379246 /nfs/dbraw/zinc/37/92/46/1435379246.db2.gz XKGLQZGUWHQMCD-UHFFFAOYSA-N 1 2 391.449 3.101 20 10 GGCDLO CN(C)c1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000278852087 1435431111 /nfs/dbraw/zinc/43/11/11/1435431111.db2.gz LWRQBJLEZBZEBO-UHFFFAOYSA-N 1 2 381.524 3.375 20 10 GGCDLO COc1c([O-])c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccc1[N+](=O)[O-] ZINC000279432007 1435498624 /nfs/dbraw/zinc/49/86/24/1435498624.db2.gz OGQXSYYESKTXRG-UHFFFAOYSA-N 1 2 386.452 3.221 20 10 GGCDLO COc1c(O)c(CN[C@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000282817798 1435861467 /nfs/dbraw/zinc/86/14/67/1435861467.db2.gz AMVIGNPHAPVQCV-OAHLLOKOSA-N 1 2 379.844 3.355 20 10 GGCDLO Oc1c(F)cc(Cl)cc1C[NH2+]CCSCc1ccccc1-c1nn[nH]n1 ZINC000826510681 948432562 /nfs/dbraw/zinc/43/25/62/948432562.db2.gz FGALZTTYNXOLFY-UHFFFAOYSA-N 1 2 393.875 3.388 20 10 GGCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC000904051124 1126132241 /nfs/dbraw/zinc/13/22/41/1126132241.db2.gz RXSGBDGYYKFNES-NRFANRHFSA-N 1 2 378.476 3.222 20 10 GGCDLO CC[N@H+](Cc1nnc2n1CCCCC2)Cc1cc(Br)ccc1O ZINC000266652054 565087445 /nfs/dbraw/zinc/08/74/45/565087445.db2.gz YSGQLWQKMWETDC-UHFFFAOYSA-N 1 2 379.302 3.495 20 10 GGCDLO CC[N@@H+](Cc1nnc2n1CCCCC2)Cc1cc(Br)ccc1O ZINC000266652054 565087449 /nfs/dbraw/zinc/08/74/49/565087449.db2.gz YSGQLWQKMWETDC-UHFFFAOYSA-N 1 2 379.302 3.495 20 10 GGCDLO CC[C@@H]([NH2+][C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000156613834 565097626 /nfs/dbraw/zinc/09/76/26/565097626.db2.gz KFDYIKCTMOZUMB-ZIAGYGMSSA-N 1 2 383.279 3.279 20 10 GGCDLO CC[C@@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000156614099 565098350 /nfs/dbraw/zinc/09/83/50/565098350.db2.gz KFDYIKCTMOZUMB-KGLIPLIRSA-N 1 2 383.279 3.279 20 10 GGCDLO CCS(=O)(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000184979401 565169363 /nfs/dbraw/zinc/16/93/63/565169363.db2.gz JELPOPFNELAAAL-SNVBAGLBSA-N 1 2 381.325 3.164 20 10 GGCDLO CCCNC(=O)CN1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000185007307 565171829 /nfs/dbraw/zinc/17/18/29/565171829.db2.gz LCAUGXASXIMENN-GFCCVEGCSA-N 1 2 388.339 3.340 20 10 GGCDLO Cc1cc(N2CC[C@H]([NH2+][C@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)n(C)n1 ZINC000186083704 565238302 /nfs/dbraw/zinc/23/83/02/565238302.db2.gz VCODXTAQFUWDHU-MFKMUULPSA-N 1 2 383.279 3.197 20 10 GGCDLO C[C@@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000186100829 565239856 /nfs/dbraw/zinc/23/98/56/565239856.db2.gz FSCRKANXAWMHPA-SNVBAGLBSA-N 1 2 393.336 3.306 20 10 GGCDLO COC[C@@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000273401015 565320048 /nfs/dbraw/zinc/32/00/48/565320048.db2.gz GHCFTJVYMBJZTR-WCBMZHEXSA-N 1 2 397.107 3.229 20 10 GGCDLO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)c1 ZINC000273401614 565320400 /nfs/dbraw/zinc/32/04/00/565320400.db2.gz NEITWGLZIVVESJ-SNVBAGLBSA-N 1 2 389.304 3.458 20 10 GGCDLO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)c1 ZINC000273401608 565320413 /nfs/dbraw/zinc/32/04/13/565320413.db2.gz NEITWGLZIVVESJ-JTQLQIEISA-N 1 2 389.304 3.458 20 10 GGCDLO CC(C)(C)S(=O)(=O)N1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000277004012 565471249 /nfs/dbraw/zinc/47/12/49/565471249.db2.gz WVFKESWMVWSNNN-UHFFFAOYSA-N 1 2 395.352 3.381 20 10 GGCDLO CCN(C(C)=O)c1nc(C[NH2+]Cc2cccc(Br)c2O)cs1 ZINC000278308958 565550370 /nfs/dbraw/zinc/55/03/70/565550370.db2.gz DZPHXCAKMPHKEP-UHFFFAOYSA-N 1 2 384.299 3.274 20 10 GGCDLO CC[C@@H]([NH2+]C[C@@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1O ZINC000287265536 566007957 /nfs/dbraw/zinc/00/79/57/566007957.db2.gz AQTCZWUFIULSRU-IUODEOHRSA-N 1 2 377.794 3.270 20 10 GGCDLO CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1O ZINC000287745547 566037270 /nfs/dbraw/zinc/03/72/70/566037270.db2.gz PYIZCTGEUVQFIG-BXUZGUMPSA-N 1 2 385.295 3.493 20 10 GGCDLO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865269 566094136 /nfs/dbraw/zinc/09/41/36/566094136.db2.gz XNUPCBHEOQDSFG-BDAKNGLRSA-N 1 2 379.092 3.120 20 10 GGCDLO C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865269 566094141 /nfs/dbraw/zinc/09/41/41/566094141.db2.gz XNUPCBHEOQDSFG-BDAKNGLRSA-N 1 2 379.092 3.120 20 10 GGCDLO C[C@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)cc(F)c1O ZINC000364746933 566068087 /nfs/dbraw/zinc/06/80/87/566068087.db2.gz VVBHAOUVNJWZHE-NSHDSACASA-N 1 2 395.276 3.403 20 10 GGCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCOC1 ZINC000180623779 566078196 /nfs/dbraw/zinc/07/81/96/566078196.db2.gz DHILVDUBTCQAFP-VIFPVBQESA-N 1 2 379.092 3.386 20 10 GGCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@@H]1CCOC1 ZINC000180623779 566078200 /nfs/dbraw/zinc/07/82/00/566078200.db2.gz DHILVDUBTCQAFP-VIFPVBQESA-N 1 2 379.092 3.386 20 10 GGCDLO COCC1(C[NH2+][C@@H](C)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000366500983 566154682 /nfs/dbraw/zinc/15/46/82/566154682.db2.gz PODNBIVMLNCZPB-NSHDSACASA-N 1 2 376.266 3.388 20 10 GGCDLO Oc1c(Br)cc(Br)cc1CN1CCn2c[nH+]cc2C1 ZINC000291504563 566222631 /nfs/dbraw/zinc/22/26/31/566222631.db2.gz HQRRPFUOIBUQQS-UHFFFAOYSA-N 1 2 387.075 3.130 20 10 GGCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccccc3C(C)=O)CC2)cc1 ZINC000053772344 1406507388 /nfs/dbraw/zinc/50/73/88/1406507388.db2.gz IXCPGARLDCXZKO-UHFFFAOYSA-N 1 2 381.476 3.049 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccccc3C(C)=O)CC2)cc1 ZINC000053772344 1406507399 /nfs/dbraw/zinc/50/73/99/1406507399.db2.gz IXCPGARLDCXZKO-UHFFFAOYSA-N 1 2 381.476 3.049 20 10 GGCDLO CCc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000028836145 1400201034 /nfs/dbraw/zinc/20/10/34/1400201034.db2.gz ZZTVSHPKSKUHSA-VKAVYKQESA-N 1 2 376.547 3.173 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@H](C)c3ccccc3F)CC2)cc1 ZINC000052073352 1405923103 /nfs/dbraw/zinc/92/31/03/1405923103.db2.gz GFMRDISDIOGUCR-QGZVFWFLSA-N 1 2 385.483 3.176 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@H](C)c3ccccc3F)CC2)cc1 ZINC000052073352 1405923116 /nfs/dbraw/zinc/92/31/16/1405923116.db2.gz GFMRDISDIOGUCR-QGZVFWFLSA-N 1 2 385.483 3.176 20 10 GGCDLO COc1ccc(N2CC[NH+](CCNC(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000056965668 1407489999 /nfs/dbraw/zinc/48/99/99/1407489999.db2.gz ZPPUMMIBUCYFGO-UHFFFAOYSA-N 1 2 391.874 3.040 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1 ZINC000057750178 1407709118 /nfs/dbraw/zinc/70/91/18/1407709118.db2.gz IRIHQLGEGKTNHB-QGZVFWFLSA-N 1 2 385.483 3.003 20 10 GGCDLO CN(C)c1ccc(CNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1F ZINC000058560917 1407844694 /nfs/dbraw/zinc/84/46/94/1407844694.db2.gz AKPXVSYIVNZQDU-UHFFFAOYSA-N 1 2 385.487 3.276 20 10 GGCDLO Cc1cc(C)cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000063702839 1408394228 /nfs/dbraw/zinc/39/42/28/1408394228.db2.gz FEMCDZHBBVIWGO-LGMDPLHJSA-N 1 2 376.547 3.227 20 10 GGCDLO CCCN(Cc1ccccc1O)C(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000066697946 1408889066 /nfs/dbraw/zinc/88/90/66/1408889066.db2.gz LLXAJIXQZVVBTG-UHFFFAOYSA-N 1 2 397.519 3.346 20 10 GGCDLO Cc1cc(C(=O)CN2CC[NH+](CCO)CC2)c(C)n1-c1ccc(C(C)C)cc1 ZINC000066863307 1408934782 /nfs/dbraw/zinc/93/47/82/1408934782.db2.gz BJOYLDDXAVDLAT-UHFFFAOYSA-N 1 2 383.536 3.010 20 10 GGCDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1F ZINC000067483364 1409133481 /nfs/dbraw/zinc/13/34/81/1409133481.db2.gz AJLCREVVWFKMCW-VBKFSLOCSA-N 1 2 380.510 3.058 20 10 GGCDLO CN(C)c1ccc(CN(C)C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000067645548 1409195084 /nfs/dbraw/zinc/19/50/84/1409195084.db2.gz WYCSBSZHBFQKNP-UHFFFAOYSA-N 1 2 381.455 3.419 20 10 GGCDLO COc1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1O ZINC000093007768 1410215090 /nfs/dbraw/zinc/21/50/90/1410215090.db2.gz PJNMGRABDWKSDG-UHFFFAOYSA-N 1 2 378.831 3.151 20 10 GGCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000096954637 1410339772 /nfs/dbraw/zinc/33/97/72/1410339772.db2.gz GRVGIXWKPRKHCE-MRXNPFEDSA-N 1 2 378.419 3.335 20 10 GGCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000096954637 1410339779 /nfs/dbraw/zinc/33/97/79/1410339779.db2.gz GRVGIXWKPRKHCE-MRXNPFEDSA-N 1 2 378.419 3.335 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)NCc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000102451877 1410632790 /nfs/dbraw/zinc/63/27/90/1410632790.db2.gz WYEMVVSECWWBBF-UHFFFAOYSA-N 1 2 398.507 3.184 20 10 GGCDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000103514229 1410865470 /nfs/dbraw/zinc/86/54/70/1410865470.db2.gz LMEVZUZAAJYZAE-ZDUSSCGKSA-N 1 2 384.411 3.286 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N(Cc3ccccc3)C(C)C)CC2)cc1 ZINC000105031343 1411017801 /nfs/dbraw/zinc/01/78/01/1411017801.db2.gz NMZNNDQQPUOSIJ-UHFFFAOYSA-N 1 2 381.520 3.254 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC(=O)NCc1cccs1 ZINC000109761037 1411808447 /nfs/dbraw/zinc/80/84/47/1411808447.db2.gz XQJFPLWLVDFSTE-UHFFFAOYSA-N 1 2 399.472 3.075 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC(=O)NCc1cccs1 ZINC000109761037 1411808448 /nfs/dbraw/zinc/80/84/48/1411808448.db2.gz XQJFPLWLVDFSTE-UHFFFAOYSA-N 1 2 399.472 3.075 20 10 GGCDLO COCc1ccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000111232738 1411896628 /nfs/dbraw/zinc/89/66/28/1411896628.db2.gz APIBLZAUYQSICK-UHFFFAOYSA-N 1 2 394.471 3.450 20 10 GGCDLO COCc1ccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000111232738 1411896629 /nfs/dbraw/zinc/89/66/29/1411896629.db2.gz APIBLZAUYQSICK-UHFFFAOYSA-N 1 2 394.471 3.450 20 10 GGCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000177245988 1428649296 /nfs/dbraw/zinc/64/92/96/1428649296.db2.gz BKMYOYAFQGYRGC-UHFFFAOYSA-N 1 2 376.403 3.011 20 10 GGCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cc(F)cc(C(C)=O)c1O ZINC000177245988 1428649307 /nfs/dbraw/zinc/64/93/07/1428649307.db2.gz BKMYOYAFQGYRGC-UHFFFAOYSA-N 1 2 376.403 3.011 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000177276870 1428667395 /nfs/dbraw/zinc/66/73/95/1428667395.db2.gz RZVUYXHOTJCIFP-LLVKDONJSA-N 1 2 396.896 3.089 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000177276870 1428667404 /nfs/dbraw/zinc/66/74/04/1428667404.db2.gz RZVUYXHOTJCIFP-LLVKDONJSA-N 1 2 396.896 3.089 20 10 GGCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC000115660950 1412749756 /nfs/dbraw/zinc/74/97/56/1412749756.db2.gz QMRYRTGIHLKIKC-UHFFFAOYSA-N 1 2 377.492 3.305 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000177351801 1428702069 /nfs/dbraw/zinc/70/20/69/1428702069.db2.gz OPCLLRTWNKWAKC-UHFFFAOYSA-N 1 2 380.901 3.120 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CCCN(c3nc(C)ns3)CC2)c1O ZINC000177351801 1428702073 /nfs/dbraw/zinc/70/20/73/1428702073.db2.gz OPCLLRTWNKWAKC-UHFFFAOYSA-N 1 2 380.901 3.120 20 10 GGCDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000119411920 1413438418 /nfs/dbraw/zinc/43/84/18/1413438418.db2.gz ZMXGQSIJTKEWNM-UHFFFAOYSA-N 1 2 387.911 3.419 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000120455907 1413821832 /nfs/dbraw/zinc/82/18/32/1413821832.db2.gz XLGVVDKTUJJFSQ-KRWDZBQOSA-N 1 2 385.487 3.145 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@@H](C)c3ccccc3)CC2)cc1F ZINC000122020645 1414341860 /nfs/dbraw/zinc/34/18/60/1414341860.db2.gz XTSUYJINOKYXQV-KRWDZBQOSA-N 1 2 385.483 3.176 20 10 GGCDLO Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000178467699 1429084573 /nfs/dbraw/zinc/08/45/73/1429084573.db2.gz PLLJEHZYAMPYTH-UHFFFAOYSA-N 1 2 395.507 3.149 20 10 GGCDLO COc1cc(Br)cc(C[NH+]2CCN(c3nc(C)cs3)CC2)c1O ZINC000133822383 1416970420 /nfs/dbraw/zinc/97/04/20/1416970420.db2.gz LXLSZXRZBHTGBQ-UHFFFAOYSA-N 1 2 398.326 3.250 20 10 GGCDLO C[C@@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(N2CCOCC2)cc1 ZINC000145703204 1417697459 /nfs/dbraw/zinc/69/74/59/1417697459.db2.gz KIMLFLAUCDPHFA-GOSISDBHSA-N 1 2 390.487 3.259 20 10 GGCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000152421728 1422098856 /nfs/dbraw/zinc/09/88/56/1422098856.db2.gz LTTBVFOHKJZFBG-YLJYHZDGSA-N 1 2 399.564 3.229 20 10 GGCDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@@H](n2cc[nH+]c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000152815906 1422259041 /nfs/dbraw/zinc/25/90/41/1422259041.db2.gz ZBWWEEZYNSBYIC-LQWHRVPQSA-N 1 2 397.523 3.073 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000153117913 1422362597 /nfs/dbraw/zinc/36/25/97/1422362597.db2.gz ZCARFRKWKPLRSE-UWJYYQICSA-N 1 2 397.523 3.153 20 10 GGCDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000153308874 1422460981 /nfs/dbraw/zinc/46/09/81/1422460981.db2.gz RXVRUQDPLZTJBX-KRWDZBQOSA-N 1 2 397.519 3.374 20 10 GGCDLO CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000153308874 1422461008 /nfs/dbraw/zinc/46/10/08/1422461008.db2.gz RXVRUQDPLZTJBX-KRWDZBQOSA-N 1 2 397.519 3.374 20 10 GGCDLO Oc1ccc(Cl)cc1C[NH+]1CCN(Cc2nc(-c3cccs3)no2)CC1 ZINC000179882185 1429622624 /nfs/dbraw/zinc/62/26/24/1429622624.db2.gz ZQGSYMCFIQECKN-UHFFFAOYSA-N 1 2 390.896 3.475 20 10 GGCDLO Cc1ccc(-c2noc(CN3CC[NH+](Cc4cc(F)ccc4O)CC3)n2)cc1 ZINC000179901871 1429631964 /nfs/dbraw/zinc/63/19/64/1429631964.db2.gz ACYZJDVLEFIZEU-UHFFFAOYSA-N 1 2 382.439 3.208 20 10 GGCDLO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(Br)c1O ZINC000160234249 1424588877 /nfs/dbraw/zinc/58/88/77/1424588877.db2.gz VXPXEKBTYZGFHZ-UHFFFAOYSA-N 1 2 395.272 3.432 20 10 GGCDLO CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc(Br)c1O ZINC000160234249 1424588883 /nfs/dbraw/zinc/58/88/83/1424588883.db2.gz VXPXEKBTYZGFHZ-UHFFFAOYSA-N 1 2 395.272 3.432 20 10 GGCDLO Cc1ccc(NC(=O)NCc2ccc(N3CCSCC3)cc2)c(N(C)C)[nH+]1 ZINC000162362760 1424842309 /nfs/dbraw/zinc/84/23/09/1424842309.db2.gz ZGRHWHOOHLUHKB-UHFFFAOYSA-N 1 2 385.537 3.331 20 10 GGCDLO C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128842 /nfs/dbraw/zinc/12/88/42/1425128842.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N 1 2 380.488 3.245 20 10 GGCDLO C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128853 /nfs/dbraw/zinc/12/88/53/1425128853.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N 1 2 380.488 3.245 20 10 GGCDLO C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128861 /nfs/dbraw/zinc/12/88/61/1425128861.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N 1 2 380.488 3.245 20 10 GGCDLO C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610774 1425128867 /nfs/dbraw/zinc/12/88/67/1425128867.db2.gz KZBHTNSXANZFDV-XLIONFOSSA-N 1 2 380.488 3.245 20 10 GGCDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1F ZINC000171770307 1425815842 /nfs/dbraw/zinc/81/58/42/1425815842.db2.gz AJLCREVVWFKMCW-FOWTUZBSSA-N 1 2 380.510 3.058 20 10 GGCDLO Cc1sc2nc(C[N@@H+](C)Cc3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C ZINC000172674607 1426137750 /nfs/dbraw/zinc/13/77/50/1426137750.db2.gz ZWJNUHHZLDZXDD-UHFFFAOYSA-N 1 2 398.532 3.070 20 10 GGCDLO Cc1sc2nc(C[N@H+](C)Cc3ccc(N4CCOCC4)cc3)[nH]c(=O)c2c1C ZINC000172674607 1426137756 /nfs/dbraw/zinc/13/77/56/1426137756.db2.gz ZWJNUHHZLDZXDD-UHFFFAOYSA-N 1 2 398.532 3.070 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000175577103 1427820297 /nfs/dbraw/zinc/82/02/97/1427820297.db2.gz WMJWBIASBZUOQQ-UHFFFAOYSA-N 1 2 388.414 3.221 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccc(F)cc3)CC2)c1O ZINC000175577103 1427820299 /nfs/dbraw/zinc/82/02/99/1427820299.db2.gz WMJWBIASBZUOQQ-UHFFFAOYSA-N 1 2 388.414 3.221 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000175628293 1427837201 /nfs/dbraw/zinc/83/72/01/1427837201.db2.gz FYPDFRMLMABWDM-KRWDZBQOSA-N 1 2 389.402 3.269 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000175628293 1427837202 /nfs/dbraw/zinc/83/72/02/1427837202.db2.gz FYPDFRMLMABWDM-KRWDZBQOSA-N 1 2 389.402 3.269 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000175628320 1427837347 /nfs/dbraw/zinc/83/73/47/1427837347.db2.gz FYPDFRMLMABWDM-QGZVFWFLSA-N 1 2 389.402 3.269 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC[C@@H](NC(=O)Nc3ccc(F)cc3)C2)c1O ZINC000175628320 1427837348 /nfs/dbraw/zinc/83/73/48/1427837348.db2.gz FYPDFRMLMABWDM-QGZVFWFLSA-N 1 2 389.402 3.269 20 10 GGCDLO CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C/c1ccc(O)c(O)c1 ZINC000180829705 1430061030 /nfs/dbraw/zinc/06/10/30/1430061030.db2.gz ZBIGLDQUNGKRMG-VQHVLOKHSA-N 1 2 381.476 3.271 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000182224602 1430433012 /nfs/dbraw/zinc/43/30/12/1430433012.db2.gz VXIQZMIHNNVKDA-JLLWLGSASA-N 1 2 377.076 3.327 20 10 GGCDLO COc1ccc(O)c([C@H](C)[NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000182802923 1430542542 /nfs/dbraw/zinc/54/25/42/1430542542.db2.gz YFXDUEKAHCJDLA-LBPRGKRZSA-N 1 2 384.461 3.355 20 10 GGCDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC000183474817 1430720767 /nfs/dbraw/zinc/72/07/67/1430720767.db2.gz RPADBGLJGSFLTA-AWEZNQCLSA-N 1 2 385.489 3.035 20 10 GGCDLO COc1cc(N2CC[NH+](Cc3ccc(F)c(F)c3)CC2)cc(OC)c1OC ZINC000183704594 1430777461 /nfs/dbraw/zinc/77/74/61/1430777461.db2.gz JAQACWPDGMNONF-UHFFFAOYSA-N 1 2 378.419 3.313 20 10 GGCDLO COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2=O)cc1 ZINC000187784931 1431812126 /nfs/dbraw/zinc/81/21/26/1431812126.db2.gz HQXSOGBLBGHDBL-SJCJKPOMSA-N 1 2 376.403 3.131 20 10 GGCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3cccc(Br)c3)CC2)cc1 ZINC000192526401 1432855116 /nfs/dbraw/zinc/85/51/16/1432855116.db2.gz SETVVAFNKBHAPR-IBGZPJMESA-N 1 2 391.309 3.313 20 10 GGCDLO COc1ccc(N2CCC[N@H+](Cc3nnnn3-c3c(C)cccc3C)CC2)cc1 ZINC000193764557 1433055083 /nfs/dbraw/zinc/05/50/83/1433055083.db2.gz MHRDMCGTHUFBTC-UHFFFAOYSA-N 1 2 392.507 3.000 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](Cc3nnnn3-c3c(C)cccc3C)CC2)cc1 ZINC000193764557 1433055086 /nfs/dbraw/zinc/05/50/86/1433055086.db2.gz MHRDMCGTHUFBTC-UHFFFAOYSA-N 1 2 392.507 3.000 20 10 GGCDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccccc1Br ZINC000194087468 1433114565 /nfs/dbraw/zinc/11/45/65/1433114565.db2.gz VLFVVXRIAGPLFD-UHFFFAOYSA-N 1 2 387.281 3.483 20 10 GGCDLO CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000194636029 1433208834 /nfs/dbraw/zinc/20/88/34/1433208834.db2.gz SCSQGWNGCGZPEC-LLVKDONJSA-N 1 2 381.108 3.414 20 10 GGCDLO Cc1cc(C)cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000255011107 1433874108 /nfs/dbraw/zinc/87/41/08/1433874108.db2.gz FEMCDZHBBVIWGO-GHRIWEEISA-N 1 2 376.547 3.227 20 10 GGCDLO COc1cccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)c1O ZINC000263934680 1434050324 /nfs/dbraw/zinc/05/03/24/1434050324.db2.gz MIDNBBPSHHFZHE-CYBMUJFWSA-N 1 2 390.509 3.411 20 10 GGCDLO COc1cccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@@H](C)C3)cs2)c1O ZINC000263934680 1434050326 /nfs/dbraw/zinc/05/03/26/1434050326.db2.gz MIDNBBPSHHFZHE-CYBMUJFWSA-N 1 2 390.509 3.411 20 10 GGCDLO COc1cccc(CNC(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)c1O ZINC000263934684 1434050434 /nfs/dbraw/zinc/05/04/34/1434050434.db2.gz MIDNBBPSHHFZHE-ZDUSSCGKSA-N 1 2 390.509 3.411 20 10 GGCDLO COc1cccc(CNC(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)c1O ZINC000263934684 1434050438 /nfs/dbraw/zinc/05/04/38/1434050438.db2.gz MIDNBBPSHHFZHE-ZDUSSCGKSA-N 1 2 390.509 3.411 20 10 GGCDLO C[C@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420062 1434823300 /nfs/dbraw/zinc/82/33/00/1434823300.db2.gz BPLSTSPGIPYZQW-SCLBCKFNSA-N 1 2 380.410 3.325 20 10 GGCDLO Cc1cc(C(=O)N[C@@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(C)n1-c1ccccc1 ZINC000276334179 1435205433 /nfs/dbraw/zinc/20/54/33/1435205433.db2.gz QABYLDIDXBWYLO-UTKZUKDTSA-N 1 2 378.476 3.478 20 10 GGCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)n1 ZINC000276763076 1435230508 /nfs/dbraw/zinc/23/05/08/1435230508.db2.gz FWCMPBWOVFJJQQ-CQSZACIVSA-N 1 2 392.477 3.380 20 10 GGCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)n1 ZINC000276763076 1435230511 /nfs/dbraw/zinc/23/05/11/1435230511.db2.gz FWCMPBWOVFJJQQ-CQSZACIVSA-N 1 2 392.477 3.380 20 10 GGCDLO COc1c(O)c(C[NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)ccc1[N+](=O)[O-] ZINC000278939785 1435442572 /nfs/dbraw/zinc/44/25/72/1435442572.db2.gz XMQPSUJQRWIKGF-UHFFFAOYSA-N 1 2 394.431 3.273 20 10 GGCDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)sc1C ZINC000279667030 1435526376 /nfs/dbraw/zinc/52/63/76/1435526376.db2.gz MSCFUGJDCBCNCD-GFCCVEGCSA-N 1 2 376.434 3.010 20 10 GGCDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)sc1C ZINC000279667030 1435526379 /nfs/dbraw/zinc/52/63/79/1435526379.db2.gz MSCFUGJDCBCNCD-GFCCVEGCSA-N 1 2 376.434 3.010 20 10 GGCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281332756 1435804118 /nfs/dbraw/zinc/80/41/18/1435804118.db2.gz JSZHSFBWFJJSQD-CVEARBPZSA-N 1 2 399.491 3.244 20 10 GGCDLO C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC000281332759 1435804152 /nfs/dbraw/zinc/80/41/52/1435804152.db2.gz JSZHSFBWFJJSQD-HZPDHXFCSA-N 1 2 399.491 3.244 20 10 GGCDLO CCN(Cc1ccccc1)c1ccc(C[NH2+][C@H](Cc2c[nH+]c[nH]2)C(=O)[O-])cc1 ZINC000904052902 1126132323 /nfs/dbraw/zinc/13/23/23/1126132323.db2.gz RXSGBDGYYKFNES-OAQYLSRUSA-N 1 2 378.476 3.222 20 10 GGCDLO COc1ccc(N2CCN(C(=O)Cn3c[nH+]c4cc(C)c(C)cc43)CC2)cc1 ZINC000021585645 210385436 /nfs/dbraw/zinc/38/54/36/210385436.db2.gz BELMKAXIRDXBIM-UHFFFAOYSA-N 1 2 378.476 3.011 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000039561437 536700187 /nfs/dbraw/zinc/70/01/87/536700187.db2.gz KOKJZKMQYCQEHE-SFHVURJKSA-N 1 2 379.504 3.185 20 10 GGCDLO CC(C)NC(=O)C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000184896004 565163914 /nfs/dbraw/zinc/16/39/14/565163914.db2.gz GJZKPCDGJJXRAJ-QMMMGPOBSA-N 1 2 394.107 3.092 20 10 GGCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000294875158 565233287 /nfs/dbraw/zinc/23/32/87/565233287.db2.gz FBTPQGDWZWLKFR-MRVPVSSYSA-N 1 2 386.681 3.158 20 10 GGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(N)nc(Cl)n1 ZINC000294875158 565233293 /nfs/dbraw/zinc/23/32/93/565233293.db2.gz FBTPQGDWZWLKFR-MRVPVSSYSA-N 1 2 386.681 3.158 20 10 GGCDLO C[C@@H]([NH2+][C@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186082574 565238003 /nfs/dbraw/zinc/23/80/03/565238003.db2.gz OARXYDFCKJUCDY-MFKMUULPSA-N 1 2 383.279 3.279 20 10 GGCDLO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000186540353 565267189 /nfs/dbraw/zinc/26/71/89/565267189.db2.gz ZEAAZMPOZJBPNQ-MPSDLYAZSA-N 1 2 399.148 3.335 20 10 GGCDLO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000273444090 565320880 /nfs/dbraw/zinc/32/08/80/565320880.db2.gz ZKFZAIGJZYKXEO-SFYZADRCSA-N 1 2 394.107 3.092 20 10 GGCDLO O=S1(=O)CCCN1c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1F ZINC000187606142 565345779 /nfs/dbraw/zinc/34/57/79/565345779.db2.gz GLLGKFMSVKUGCS-UHFFFAOYSA-N 1 2 384.860 3.014 20 10 GGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000376253873 565428308 /nfs/dbraw/zinc/42/83/08/565428308.db2.gz ZRADILLIEHGSGS-ZDUSSCGKSA-N 1 2 381.263 3.172 20 10 GGCDLO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1cc(Br)cc(Br)c1O ZINC000189013139 565437746 /nfs/dbraw/zinc/43/77/46/565437746.db2.gz ZDWBHTNEXVNXDK-SFYZADRCSA-N 1 2 394.107 3.045 20 10 GGCDLO Cc1cc(N(C)C)ccc1CNc1[nH+]cnc2c1c(Br)nn2C ZINC000301310066 565477721 /nfs/dbraw/zinc/47/77/21/565477721.db2.gz YRKDQJVFJDYPFM-UHFFFAOYSA-N 1 2 375.274 3.112 20 10 GGCDLO C[C@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O ZINC000277169635 565479747 /nfs/dbraw/zinc/47/97/47/565479747.db2.gz RTVDGPCLSSWKIR-JTQLQIEISA-N 1 2 384.841 3.208 20 10 GGCDLO Cc1cc(C[NH2+]Cc2cc(Br)cc(Br)c2O)n(C)n1 ZINC000284494239 565856492 /nfs/dbraw/zinc/85/64/92/565856492.db2.gz XDZQWQRVEYVZCG-UHFFFAOYSA-N 1 2 389.091 3.249 20 10 GGCDLO O=C1/C(=C/c2sccc2Cl)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000195220382 565867554 /nfs/dbraw/zinc/86/75/54/565867554.db2.gz VAJAXRZGNKCXPF-RAXLEYEMSA-N 1 2 388.967 3.325 20 10 GGCDLO Cn1cc(C[N@@H+](C)Cc2cc(Br)cc(Br)c2O)cn1 ZINC000179601638 565992623 /nfs/dbraw/zinc/99/26/23/565992623.db2.gz QLGLWKABMZYVOR-UHFFFAOYSA-N 1 2 389.091 3.283 20 10 GGCDLO Cn1cc(C[N@H+](C)Cc2cc(Br)cc(Br)c2O)cn1 ZINC000179601638 565992620 /nfs/dbraw/zinc/99/26/20/565992620.db2.gz QLGLWKABMZYVOR-UHFFFAOYSA-N 1 2 389.091 3.283 20 10 GGCDLO CC1(O)CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000180285509 566051030 /nfs/dbraw/zinc/05/10/30/566051030.db2.gz OZMWVQOBMUPSIW-UHFFFAOYSA-N 1 2 379.092 3.264 20 10 GGCDLO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865236 566094553 /nfs/dbraw/zinc/09/45/53/566094553.db2.gz XNUPCBHEOQDSFG-RKDXNWHRSA-N 1 2 379.092 3.120 20 10 GGCDLO C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865236 566094554 /nfs/dbraw/zinc/09/45/54/566094554.db2.gz XNUPCBHEOQDSFG-RKDXNWHRSA-N 1 2 379.092 3.120 20 10 GGCDLO COCC1(C[NH2+][C@H](C)c2cc(Br)cc(F)c2O)CCOCC1 ZINC000366500982 566155283 /nfs/dbraw/zinc/15/52/83/566155283.db2.gz PODNBIVMLNCZPB-LLVKDONJSA-N 1 2 376.266 3.388 20 10 GGCDLO CCN(CC)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000181811911 566165991 /nfs/dbraw/zinc/16/59/91/566165991.db2.gz WDOVQBFZGSYPSY-UHFFFAOYSA-N 1 2 382.913 3.366 20 10 GGCDLO CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000182193893 566189735 /nfs/dbraw/zinc/18/97/35/566189735.db2.gz TVZPNBHONYVUFD-UHFFFAOYSA-N 1 2 382.913 3.163 20 10 GGCDLO OC[C@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000183370881 566245518 /nfs/dbraw/zinc/24/55/18/566245518.db2.gz PJXVKNQMOCZOPN-VIFPVBQESA-N 1 2 379.092 3.122 20 10 GGCDLO OC[C@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000183370881 566245520 /nfs/dbraw/zinc/24/55/20/566245520.db2.gz PJXVKNQMOCZOPN-VIFPVBQESA-N 1 2 379.092 3.122 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]CC12CC(C1)CO2 ZINC000529661887 567537866 /nfs/dbraw/zinc/53/78/66/567537866.db2.gz INSPYNVRFXVGFT-UHFFFAOYSA-N 1 2 377.076 3.186 20 10 GGCDLO COc1ccc([NH+]2CCC(NC(=O)C[C@@H]3OCCc4ccccc43)CC2)cc1 ZINC000115056723 570274173 /nfs/dbraw/zinc/27/41/73/570274173.db2.gz AURKSZXIDKYDRX-QFIPXVFZSA-N 1 2 380.488 3.484 20 10 GGCDLO Oc1cc2c(cc1C[NH+]1CCN(c3ncc(Cl)cc3Cl)CC1)OCO2 ZINC000054547105 1406766944 /nfs/dbraw/zinc/76/69/44/1406766944.db2.gz ZJXRJTJESBSBEG-UHFFFAOYSA-N 1 2 382.247 3.145 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2ccc(Br)s2)cc1 ZINC000007251191 1398640241 /nfs/dbraw/zinc/64/02/41/1398640241.db2.gz YBWDAZXNTRWEQU-UHFFFAOYSA-N 1 2 396.354 3.325 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2ccc(Br)s2)cc1 ZINC000007251191 1398640254 /nfs/dbraw/zinc/64/02/54/1398640254.db2.gz YBWDAZXNTRWEQU-UHFFFAOYSA-N 1 2 396.354 3.325 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007250714 1398640561 /nfs/dbraw/zinc/64/05/61/1398640561.db2.gz SYCGWHILWRLZFH-IBGZPJMESA-N 1 2 387.549 3.112 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)cc1 ZINC000007250714 1398640566 /nfs/dbraw/zinc/64/05/66/1398640566.db2.gz SYCGWHILWRLZFH-IBGZPJMESA-N 1 2 387.549 3.112 20 10 GGCDLO C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571753 1399172723 /nfs/dbraw/zinc/17/27/23/1399172723.db2.gz NWHFOPGQEWPNBW-UHFFFAOYSA-N 1 2 382.439 3.344 20 10 GGCDLO C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000015571753 1399172730 /nfs/dbraw/zinc/17/27/30/1399172730.db2.gz NWHFOPGQEWPNBW-UHFFFAOYSA-N 1 2 382.439 3.344 20 10 GGCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)c1 ZINC000026244750 1399872706 /nfs/dbraw/zinc/87/27/06/1399872706.db2.gz ACLHVWMDDOVEAY-UHFFFAOYSA-N 1 2 375.513 3.119 20 10 GGCDLO C[C@@H]1C[C@H]1c1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000028964664 1400217603 /nfs/dbraw/zinc/21/76/03/1400217603.db2.gz QDIIOKLKEZGIOB-UATMBRFXSA-N 1 2 392.546 3.327 20 10 GGCDLO CCN(C(C)=O)c1nc(C[N@@H+]2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000052466470 1406060346 /nfs/dbraw/zinc/06/03/46/1406060346.db2.gz QEWCYKUGAVBHFS-UHFFFAOYSA-N 1 2 388.537 3.237 20 10 GGCDLO CCN(C(C)=O)c1nc(C[N@H+]2CCCN(c3ccc(OC)cc3)CC2)cs1 ZINC000052466470 1406060357 /nfs/dbraw/zinc/06/03/57/1406060357.db2.gz QEWCYKUGAVBHFS-UHFFFAOYSA-N 1 2 388.537 3.237 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)Nc3ccc(N4CCCC4)cc3)CC2)cc1 ZINC000057750152 1407708730 /nfs/dbraw/zinc/70/87/30/1407708730.db2.gz PQRNZHPHJFKKBB-UHFFFAOYSA-N 1 2 394.519 3.056 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000058126770 1407787909 /nfs/dbraw/zinc/78/79/09/1407787909.db2.gz LVTZRURTYISOCI-OALUTQOASA-N 1 2 381.520 3.126 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC[C@H](C)c3ccccc3)CC2)cc1 ZINC000066313651 1408810084 /nfs/dbraw/zinc/81/00/84/1408810084.db2.gz LVTZRURTYISOCI-RBUKOAKNSA-N 1 2 381.520 3.126 20 10 GGCDLO Cc1cc(C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176535401 1428354597 /nfs/dbraw/zinc/35/45/97/1428354597.db2.gz UUHHXYFPRBPWFE-GOSISDBHSA-N 1 2 382.552 3.077 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)Cc3ccc(SC)cc3)CC2)cc1 ZINC000066863791 1408935312 /nfs/dbraw/zinc/93/53/12/1408935312.db2.gz LYWWFQSAFUZCJM-UHFFFAOYSA-N 1 2 399.560 3.198 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)NCCc2cn3c([nH+]2)CCCC3)cc1F ZINC000066926784 1408953537 /nfs/dbraw/zinc/95/35/37/1408953537.db2.gz SQMABPBKGYDFOK-UHFFFAOYSA-N 1 2 387.503 3.247 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NCc1ccc2c(c1)OCO2 ZINC000070975611 1409809102 /nfs/dbraw/zinc/80/91/02/1409809102.db2.gz KAXUSIIQAVNCDH-UHFFFAOYSA-N 1 2 394.427 3.033 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NCc1ccc2c(c1)OCO2 ZINC000070975611 1409809103 /nfs/dbraw/zinc/80/91/03/1409809103.db2.gz KAXUSIIQAVNCDH-UHFFFAOYSA-N 1 2 394.427 3.033 20 10 GGCDLO CCc1nc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)cs1 ZINC000092504675 1410162023 /nfs/dbraw/zinc/16/20/23/1410162023.db2.gz DBYIPXCBMAGVSH-UHFFFAOYSA-N 1 2 396.354 3.491 20 10 GGCDLO Cc1cc(C(=O)C[N@@H+]2CCC[C@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000096954636 1410339638 /nfs/dbraw/zinc/33/96/38/1410339638.db2.gz GRVGIXWKPRKHCE-INIZCTEOSA-N 1 2 378.419 3.335 20 10 GGCDLO Cc1cc(C(=O)C[N@H+]2CCC[C@H](O)C2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000096954636 1410339644 /nfs/dbraw/zinc/33/96/44/1410339644.db2.gz GRVGIXWKPRKHCE-INIZCTEOSA-N 1 2 378.419 3.335 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccc2c(c1)OCCO2 ZINC000096970830 1410341801 /nfs/dbraw/zinc/34/18/01/1410341801.db2.gz MAUOTVHIFZEPTL-UHFFFAOYSA-N 1 2 394.427 3.397 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)Nc1ccc2c(c1)OCCO2 ZINC000096970830 1410341806 /nfs/dbraw/zinc/34/18/06/1410341806.db2.gz MAUOTVHIFZEPTL-UHFFFAOYSA-N 1 2 394.427 3.397 20 10 GGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000101591714 1410474804 /nfs/dbraw/zinc/47/48/04/1410474804.db2.gz OUESENGHXWJCIB-QGZVFWFLSA-N 1 2 381.303 3.208 20 10 GGCDLO [O-]c1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H](O)C[N@H+]1CCc2ccccc2C1 ZINC000101591714 1410474809 /nfs/dbraw/zinc/47/48/09/1410474809.db2.gz OUESENGHXWJCIB-QGZVFWFLSA-N 1 2 381.303 3.208 20 10 GGCDLO Cc1cc(F)ccc1/C=C1\SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000101683953 1410490720 /nfs/dbraw/zinc/49/07/20/1410490720.db2.gz LOSSZNGJHJXAMO-VBKFSLOCSA-N 1 2 380.510 3.058 20 10 GGCDLO COc1ccc(O)c([C@H](C)NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000103510598 1410865224 /nfs/dbraw/zinc/86/52/24/1410865224.db2.gz PQQJEDARGRAOHV-HNNXBMFYSA-N 1 2 384.480 3.347 20 10 GGCDLO O=C(NCCCCNc1cccc[nH+]1)NCc1ccc(N2CCSCC2)cc1 ZINC000105152433 1411035160 /nfs/dbraw/zinc/03/51/60/1411035160.db2.gz GGLXNDHZNDZONC-UHFFFAOYSA-N 1 2 399.564 3.326 20 10 GGCDLO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000108927660 1411640673 /nfs/dbraw/zinc/64/06/73/1411640673.db2.gz CYHJEWOLURUZRG-OAQYLSRUSA-N 1 2 397.519 3.215 20 10 GGCDLO CCCN(Cc1ccccc1O)C(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000108927660 1411640689 /nfs/dbraw/zinc/64/06/89/1411640689.db2.gz CYHJEWOLURUZRG-OAQYLSRUSA-N 1 2 397.519 3.215 20 10 GGCDLO C[N@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1O ZINC000109770481 1411808922 /nfs/dbraw/zinc/80/89/22/1411808922.db2.gz NMFXLPKYGDULKK-UHFFFAOYSA-N 1 2 376.457 3.167 20 10 GGCDLO C[N@@H+](Cc1nc(C(C)(C)NC(=O)OC(C)(C)C)no1)Cc1ccccc1O ZINC000109770481 1411808924 /nfs/dbraw/zinc/80/89/24/1411808924.db2.gz NMFXLPKYGDULKK-UHFFFAOYSA-N 1 2 376.457 3.167 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC[C@H]1Cc2ccccc2O1 ZINC000111232866 1411896565 /nfs/dbraw/zinc/89/65/65/1411896565.db2.gz LOUKXTYBUYMOOH-HXUWFJFHSA-N 1 2 392.455 3.107 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC[C@H]1Cc2ccccc2O1 ZINC000111232866 1411896566 /nfs/dbraw/zinc/89/65/66/1411896566.db2.gz LOUKXTYBUYMOOH-HXUWFJFHSA-N 1 2 392.455 3.107 20 10 GGCDLO COCc1ccccc1CNC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232734 1411896732 /nfs/dbraw/zinc/89/67/32/1411896732.db2.gz ZOGHYEUYLMEJGN-UHFFFAOYSA-N 1 2 394.471 3.450 20 10 GGCDLO COCc1ccccc1CNC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000111232734 1411896734 /nfs/dbraw/zinc/89/67/34/1411896734.db2.gz ZOGHYEUYLMEJGN-UHFFFAOYSA-N 1 2 394.471 3.450 20 10 GGCDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000114826998 1412534509 /nfs/dbraw/zinc/53/45/09/1412534509.db2.gz NQNDPIVBVCBGPG-GOSISDBHSA-N 1 2 393.535 3.052 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000177276856 1428667312 /nfs/dbraw/zinc/66/73/12/1428667312.db2.gz RZVUYXHOTJCIFP-NSHDSACASA-N 1 2 396.896 3.089 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2cccc(S(N)(=O)=O)c2)c1O ZINC000177276856 1428667316 /nfs/dbraw/zinc/66/73/16/1428667316.db2.gz RZVUYXHOTJCIFP-NSHDSACASA-N 1 2 396.896 3.089 20 10 GGCDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2ccc(N(C)C)c(F)c2)CC1 ZINC000119410151 1413437696 /nfs/dbraw/zinc/43/76/96/1413437696.db2.gz DISMZPSBXIJVBD-UHFFFAOYSA-N 1 2 398.526 3.265 20 10 GGCDLO O=C(CN1CC[NH+](Cc2c(O)cccc2Cl)CC1)Nc1ccccc1Cl ZINC000119561771 1413486437 /nfs/dbraw/zinc/48/64/37/1413486437.db2.gz SZPAQGFTNZTLAW-UHFFFAOYSA-N 1 2 394.302 3.455 20 10 GGCDLO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1c(O)cccc1Cl ZINC000120289234 1413769652 /nfs/dbraw/zinc/76/96/52/1413769652.db2.gz UHDOQCPTESRZKQ-UHFFFAOYSA-N 1 2 383.897 3.350 20 10 GGCDLO C[N@@H+](CCCOc1cccc(S(C)(=O)=O)c1)Cc1c(O)cccc1Cl ZINC000120289234 1413769660 /nfs/dbraw/zinc/76/96/60/1413769660.db2.gz UHDOQCPTESRZKQ-UHFFFAOYSA-N 1 2 383.897 3.350 20 10 GGCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000126157252 1415372411 /nfs/dbraw/zinc/37/24/11/1415372411.db2.gz UZZSOQITHHXOJG-UHFFFAOYSA-N 1 2 391.450 3.387 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000177973304 1428909480 /nfs/dbraw/zinc/90/94/80/1428909480.db2.gz DAGRZZOOBSDKIS-IBGZPJMESA-N 1 2 383.540 3.431 20 10 GGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178001074 1428926772 /nfs/dbraw/zinc/92/67/72/1428926772.db2.gz IQPWWWOPRGZTOJ-UHFFFAOYSA-N 1 2 396.491 3.284 20 10 GGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)cc1 ZINC000178001074 1428926784 /nfs/dbraw/zinc/92/67/84/1428926784.db2.gz IQPWWWOPRGZTOJ-UHFFFAOYSA-N 1 2 396.491 3.284 20 10 GGCDLO O=C(N[C@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])s1 ZINC000134264254 1417046268 /nfs/dbraw/zinc/04/62/68/1417046268.db2.gz SRKFUURWPDRLAC-ZDUSSCGKSA-N 1 2 395.868 3.410 20 10 GGCDLO O=C(N[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])s1 ZINC000134264254 1417046269 /nfs/dbraw/zinc/04/62/69/1417046269.db2.gz SRKFUURWPDRLAC-ZDUSSCGKSA-N 1 2 395.868 3.410 20 10 GGCDLO C[N@H+](Cc1cc(Cl)ccc1O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136964206 1417358403 /nfs/dbraw/zinc/35/84/03/1417358403.db2.gz BBQLRTCIIODIRE-OAHLLOKOSA-N 1 2 383.673 3.467 20 10 GGCDLO C[N@@H+](Cc1cc(Cl)ccc1O)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000136964206 1417358412 /nfs/dbraw/zinc/35/84/12/1417358412.db2.gz BBQLRTCIIODIRE-OAHLLOKOSA-N 1 2 383.673 3.467 20 10 GGCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000179709022 1429516643 /nfs/dbraw/zinc/51/66/43/1429516643.db2.gz MWYQYSSKEBUTDN-HSZRJFAPSA-N 1 2 381.520 3.050 20 10 GGCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCO[C@H](CNC(C)=O)C2)cc1 ZINC000179709022 1429516645 /nfs/dbraw/zinc/51/66/45/1429516645.db2.gz MWYQYSSKEBUTDN-HSZRJFAPSA-N 1 2 381.520 3.050 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000153117997 1422362461 /nfs/dbraw/zinc/36/24/61/1422362461.db2.gz ZCARFRKWKPLRSE-DYESRHJHSA-N 1 2 397.523 3.153 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157626286 1424052103 /nfs/dbraw/zinc/05/21/03/1424052103.db2.gz KFSSKRXNWRLFGQ-LJQANCHMSA-N 1 2 397.494 3.103 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157626286 1424052108 /nfs/dbraw/zinc/05/21/08/1424052108.db2.gz KFSSKRXNWRLFGQ-LJQANCHMSA-N 1 2 397.494 3.103 20 10 GGCDLO CCOc1ccc(C[NH+]2CCN(Cc3cc(OC)c(OC)cc3O)CC2)cc1 ZINC000159579940 1424515599 /nfs/dbraw/zinc/51/55/99/1424515599.db2.gz IADUVSYYDZFYLL-UHFFFAOYSA-N 1 2 386.492 3.126 20 10 GGCDLO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](Cc2cc(Cl)ccc2O)CC1 ZINC000160331273 1424596242 /nfs/dbraw/zinc/59/62/42/1424596242.db2.gz AMHBGRDWQNPIAW-UHFFFAOYSA-N 1 2 383.879 3.414 20 10 GGCDLO COc1c(C)c[nH+]c(CN(C)C(=O)/C=C/c2ccc(N3CCOCC3)cc2)c1C ZINC000171711194 1425799333 /nfs/dbraw/zinc/79/93/33/1425799333.db2.gz XRWQQNFKTFRTDC-JXMROGBWSA-N 1 2 395.503 3.215 20 10 GGCDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc(N3CC=CC3)cc2)c1C ZINC000172631314 1426119683 /nfs/dbraw/zinc/11/96/83/1426119683.db2.gz GZDWHQRDGJRJDX-UHFFFAOYSA-N 1 2 380.492 3.425 20 10 GGCDLO CC[N@H+](Cc1nnnn1-c1ccccc1)Cc1cc(Br)ccc1O ZINC000174422731 1427150816 /nfs/dbraw/zinc/15/08/16/1427150816.db2.gz BDPIZFWFXSHLHV-UHFFFAOYSA-N 1 2 388.269 3.153 20 10 GGCDLO CC[N@@H+](Cc1nnnn1-c1ccccc1)Cc1cc(Br)ccc1O ZINC000174422731 1427150821 /nfs/dbraw/zinc/15/08/21/1427150821.db2.gz BDPIZFWFXSHLHV-UHFFFAOYSA-N 1 2 388.269 3.153 20 10 GGCDLO COc1ccc(-n2c(C)cc(C(=O)N3CCC[C@H]3C[NH+]3CCOCC3)c2C)cc1 ZINC000174485999 1427177811 /nfs/dbraw/zinc/17/78/11/1427177811.db2.gz DDPYZTDEIYZZQY-FQEVSTJZSA-N 1 2 397.519 3.040 20 10 GGCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3ccccc3C)c2C)CC1 ZINC000175019163 1427502257 /nfs/dbraw/zinc/50/22/57/1427502257.db2.gz LIHLEBYARYIMGJ-UHFFFAOYSA-N 1 2 381.520 3.433 20 10 GGCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)cc3)c2C)CC1 ZINC000175032733 1427510254 /nfs/dbraw/zinc/51/02/54/1427510254.db2.gz KUXSYCDDESFNPB-UHFFFAOYSA-N 1 2 381.520 3.433 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000175627639 1427837401 /nfs/dbraw/zinc/83/74/01/1427837401.db2.gz QTWKNFCYERWUBR-UHFFFAOYSA-N 1 2 386.423 3.441 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)Oc3ccccc3)CC2)c1O ZINC000175627639 1427837405 /nfs/dbraw/zinc/83/74/05/1427837405.db2.gz QTWKNFCYERWUBR-UHFFFAOYSA-N 1 2 386.423 3.441 20 10 GGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1O ZINC000175733194 1427872999 /nfs/dbraw/zinc/87/29/99/1427872999.db2.gz RBLGDPRIRVAPJX-UHFFFAOYSA-N 1 2 386.452 3.061 20 10 GGCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180711070 1429992738 /nfs/dbraw/zinc/99/27/38/1429992738.db2.gz MYNHVKHGPOIZEC-MJGOQNOKSA-N 1 2 392.293 3.479 20 10 GGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1C[C@H](O)c1ccccc1 ZINC000180711070 1429992747 /nfs/dbraw/zinc/99/27/47/1429992747.db2.gz MYNHVKHGPOIZEC-MJGOQNOKSA-N 1 2 392.293 3.479 20 10 GGCDLO COc1cc(O)c(CN2CCc3c([nH+]cn3CCc3ccccc3)C2)cc1OC ZINC000182142891 1430419355 /nfs/dbraw/zinc/41/93/55/1430419355.db2.gz CSXIAFUOBDDLAX-UHFFFAOYSA-N 1 2 393.487 3.407 20 10 GGCDLO C[C@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182887995 1430562764 /nfs/dbraw/zinc/56/27/64/1430562764.db2.gz RAJMDSUHASHXHC-INIZCTEOSA-N 1 2 386.471 3.067 20 10 GGCDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000184881685 1431011412 /nfs/dbraw/zinc/01/14/12/1431011412.db2.gz XRVILHAGAJBYAP-MRXNPFEDSA-N 1 2 378.476 3.375 20 10 GGCDLO COCC1=CC[N@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)CC1 ZINC000185847862 1431250736 /nfs/dbraw/zinc/25/07/36/1431250736.db2.gz ZVAKWYKBWONNRM-UHFFFAOYSA-N 1 2 396.487 3.342 20 10 GGCDLO COCC1=CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc(C(=O)OC)cc3)c2C)CC1 ZINC000185847862 1431250740 /nfs/dbraw/zinc/25/07/40/1431250740.db2.gz ZVAKWYKBWONNRM-UHFFFAOYSA-N 1 2 396.487 3.342 20 10 GGCDLO C[C@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187672581 1431796268 /nfs/dbraw/zinc/79/62/68/1431796268.db2.gz KRGADYYAGWMXBP-HNNXBMFYSA-N 1 2 392.446 3.232 20 10 GGCDLO COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)c3ccc(F)c(F)c3O)C2=O)cc1 ZINC000187784912 1431812054 /nfs/dbraw/zinc/81/20/54/1431812054.db2.gz HQXSOGBLBGHDBL-SJKOYZFVSA-N 1 2 376.403 3.131 20 10 GGCDLO CC(C)Oc1ccc(N(C)CC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000191591120 1432688300 /nfs/dbraw/zinc/68/83/00/1432688300.db2.gz SELDEPUQTPJPAG-UHFFFAOYSA-N 1 2 397.519 3.381 20 10 GGCDLO COc1cc(N2CC[NH+](Cc3ccc(C#N)c(F)c3)CC2)cc(OC)c1OC ZINC000192187231 1432813565 /nfs/dbraw/zinc/81/35/65/1432813565.db2.gz AFFGUQZRUBYDLJ-UHFFFAOYSA-N 1 2 385.439 3.045 20 10 GGCDLO Cc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000192840063 1432897536 /nfs/dbraw/zinc/89/75/36/1432897536.db2.gz DPWOMBLJYIFSRX-GHRIWEEISA-N 1 2 376.547 3.227 20 10 GGCDLO COc1cccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)c1F ZINC000192973885 1432915374 /nfs/dbraw/zinc/91/53/74/1432915374.db2.gz AGXBGNSDGPEVPX-UHFFFAOYSA-N 1 2 390.455 3.182 20 10 GGCDLO O=[N+]([O-])c1cnc(Sc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)s1 ZINC000195507142 1433337834 /nfs/dbraw/zinc/33/78/34/1433337834.db2.gz OODHQRAUUNAGNB-UHFFFAOYSA-N 1 2 388.478 3.379 20 10 GGCDLO CCOc1cccc(C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1O ZINC000236925684 1433383266 /nfs/dbraw/zinc/38/32/66/1433383266.db2.gz QGULYILBJGXWOP-FQEVSTJZSA-N 1 2 397.475 3.421 20 10 GGCDLO O=C(NCCCn1cc[nH+]c1)C(=O)Nc1ccc(N=Nc2ccccc2)cc1 ZINC000255199785 1433878289 /nfs/dbraw/zinc/87/82/89/1433878289.db2.gz ZTCZMUCFDRILRI-UHFFFAOYSA-N 1 2 376.420 3.444 20 10 GGCDLO O=C1/C(=C\c2cccc(Cl)c2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000255421067 1433882530 /nfs/dbraw/zinc/88/25/30/1433882530.db2.gz UNRKKADZNGACJT-NTCAYCPXSA-N 1 2 382.938 3.264 20 10 GGCDLO C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccc(O)c(O)c3)n2)C1 ZINC000265216629 1434201238 /nfs/dbraw/zinc/20/12/38/1434201238.db2.gz WCHMPBPGIGRUOP-ZDUSSCGKSA-N 1 2 390.509 3.150 20 10 GGCDLO C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccc(O)c(O)c3)n2)C1 ZINC000265216629 1434201242 /nfs/dbraw/zinc/20/12/42/1434201242.db2.gz WCHMPBPGIGRUOP-ZDUSSCGKSA-N 1 2 390.509 3.150 20 10 GGCDLO C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000267935412 1434478851 /nfs/dbraw/zinc/47/88/51/1434478851.db2.gz QCTYIPQVRQNWCH-HOTGVXAUSA-N 1 2 399.491 3.071 20 10 GGCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273421888 1434987812 /nfs/dbraw/zinc/98/78/12/1434987812.db2.gz SFHAKJXHKSFIMI-JTQLQIEISA-N 1 2 394.353 3.091 20 10 GGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)n1 ZINC000276763067 1435230658 /nfs/dbraw/zinc/23/06/58/1435230658.db2.gz FWCMPBWOVFJJQQ-AWEZNQCLSA-N 1 2 392.477 3.380 20 10 GGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)n1 ZINC000276763067 1435230660 /nfs/dbraw/zinc/23/06/60/1435230660.db2.gz FWCMPBWOVFJJQQ-AWEZNQCLSA-N 1 2 392.477 3.380 20 10 GGCDLO COc1c(O)c(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314551 1435379092 /nfs/dbraw/zinc/37/90/92/1435379092.db2.gz XELPRHIYBLYVGF-RYZVSIALSA-N 1 2 378.450 3.239 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314551 1435379095 /nfs/dbraw/zinc/37/90/95/1435379095.db2.gz XELPRHIYBLYVGF-RYZVSIALSA-N 1 2 378.450 3.239 20 10 GGCDLO COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)sc1C ZINC000279723675 1435535397 /nfs/dbraw/zinc/53/53/97/1435535397.db2.gz UWVCHWSHSOYJEJ-CYBMUJFWSA-N 1 2 392.477 3.298 20 10 GGCDLO COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)sc1C ZINC000279723675 1435535400 /nfs/dbraw/zinc/53/54/00/1435535400.db2.gz UWVCHWSHSOYJEJ-CYBMUJFWSA-N 1 2 392.477 3.298 20 10 GGCDLO CN(C)c1ccc(C[NH2+][C@H]2CS(=O)(=O)c3ccccc32)c(C(F)(F)F)c1 ZINC000280109660 1435594078 /nfs/dbraw/zinc/59/40/78/1435594078.db2.gz BVKLZUZUNGVPTR-INIZCTEOSA-N 1 2 384.423 3.390 20 10 GGCDLO C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255919 994518357 /nfs/dbraw/zinc/51/83/57/994518357.db2.gz FKGQRWALDZDBID-APWZRJJASA-N 1 2 384.476 3.032 20 10 GGCDLO C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255919 994518371 /nfs/dbraw/zinc/51/83/71/994518371.db2.gz FKGQRWALDZDBID-APWZRJJASA-N 1 2 384.476 3.032 20 10 GGCDLO O=C(CSc1[nH+]cnc2c1cnn2-c1ccccc1)c1ccc(O)c(O)c1 ZINC000009495900 221082402 /nfs/dbraw/zinc/08/24/02/221082402.db2.gz JMXKIYPMGAPZFH-UHFFFAOYSA-N 1 2 378.413 3.202 20 10 GGCDLO C[C@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131037753 564699189 /nfs/dbraw/zinc/69/91/89/564699189.db2.gz AQELRGZKUSFZKO-NTCNTBNZSA-N 1 2 399.148 3.116 20 10 GGCDLO C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131037753 564699195 /nfs/dbraw/zinc/69/91/95/564699195.db2.gz AQELRGZKUSFZKO-NTCNTBNZSA-N 1 2 399.148 3.116 20 10 GGCDLO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131037549 564699507 /nfs/dbraw/zinc/69/95/07/564699507.db2.gz AQELRGZKUSFZKO-DCXZOGHSSA-N 1 2 399.148 3.116 20 10 GGCDLO C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131037549 564699510 /nfs/dbraw/zinc/69/95/10/564699510.db2.gz AQELRGZKUSFZKO-DCXZOGHSSA-N 1 2 399.148 3.116 20 10 GGCDLO CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156723373 565102199 /nfs/dbraw/zinc/10/21/99/565102199.db2.gz ZUKYLFWMYTXFCT-GXFFZTMASA-N 1 2 385.295 3.493 20 10 GGCDLO CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156722955 565102298 /nfs/dbraw/zinc/10/22/98/565102298.db2.gz ZUKYLFWMYTXFCT-MFKMUULPSA-N 1 2 385.295 3.493 20 10 GGCDLO CN(C)c1ccc(C[NH+]2CCC(CS(C)(=O)=O)CC2)c(C(F)(F)F)c1 ZINC000292826192 565136528 /nfs/dbraw/zinc/13/65/28/565136528.db2.gz QOLMVEVUZUNLQS-UHFFFAOYSA-N 1 2 378.460 3.028 20 10 GGCDLO CCS(=O)(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000184979383 565168800 /nfs/dbraw/zinc/16/88/00/565168800.db2.gz JELPOPFNELAAAL-JTQLQIEISA-N 1 2 381.325 3.164 20 10 GGCDLO C[C@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000185256842 565190606 /nfs/dbraw/zinc/19/06/06/565190606.db2.gz DWCZRINDBAAEPD-JTQLQIEISA-N 1 2 381.325 3.021 20 10 GGCDLO C[C@@H]([NH2+]CC1CCN(S(C)(=O)=O)CC1)c1ccc(Cl)c(Cl)c1O ZINC000185256858 565190630 /nfs/dbraw/zinc/19/06/30/565190630.db2.gz DWCZRINDBAAEPD-SNVBAGLBSA-N 1 2 381.325 3.021 20 10 GGCDLO C[C@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)cc(Br)c1O ZINC000185264506 565191264 /nfs/dbraw/zinc/19/12/64/565191264.db2.gz PWGLZCFFIVYFHO-QMMMGPOBSA-N 1 2 394.107 3.046 20 10 GGCDLO C[C@H]([NH2+]C1CCN(S(=O)(=O)C2CC2)CC1)c1ccc(Cl)c(Cl)c1O ZINC000186100813 565239730 /nfs/dbraw/zinc/23/97/30/565239730.db2.gz FSCRKANXAWMHPA-JTQLQIEISA-N 1 2 393.336 3.306 20 10 GGCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1cn[nH]c1 ZINC000271773346 565267037 /nfs/dbraw/zinc/26/70/37/565267037.db2.gz CAGHKOZWBNXNCX-ZETCQYMHSA-N 1 2 375.064 3.491 20 10 GGCDLO CCn1cc(C[NH2+]Cc2cc(Br)cc(Br)c2O)cn1 ZINC000271775156 565267245 /nfs/dbraw/zinc/26/72/45/565267245.db2.gz CIVNYTSZCUFVHV-UHFFFAOYSA-N 1 2 389.091 3.423 20 10 GGCDLO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000186540336 565267734 /nfs/dbraw/zinc/26/77/34/565267734.db2.gz ZEAAZMPOZJBPNQ-KEJSXXJDSA-N 1 2 399.148 3.335 20 10 GGCDLO CNC(=O)CCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000273585184 565326127 /nfs/dbraw/zinc/32/61/27/565326127.db2.gz NPNZIRIELFVCHW-MRVPVSSYSA-N 1 2 394.107 3.094 20 10 GGCDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1c(O)ccc2c1CCCC2 ZINC000301472318 565488794 /nfs/dbraw/zinc/48/87/94/565488794.db2.gz ULBNQCDJADCOJF-UHFFFAOYSA-N 1 2 388.269 3.322 20 10 GGCDLO C[C@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1ccc(N(C)C)cc1 ZINC000302457351 565542016 /nfs/dbraw/zinc/54/20/16/565542016.db2.gz UQJTWDJUJJCHJI-JTQLQIEISA-N 1 2 375.274 3.365 20 10 GGCDLO CN(C)c1ccc(C[NH2+]Cc2ncc(I)s2)cc1F ZINC000285459185 565908866 /nfs/dbraw/zinc/90/88/66/565908866.db2.gz MYPULLSQYDTSCZ-UHFFFAOYSA-N 1 2 391.253 3.243 20 10 GGCDLO CN(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)cc1 ZINC000237108502 565951630 /nfs/dbraw/zinc/95/16/30/565951630.db2.gz WKWHFRCXFNTHNF-UHFFFAOYSA-N 1 2 389.304 3.239 20 10 GGCDLO O=S(=O)(NC1CC[NH+](Cc2cccc(Cl)c2O)CC1)c1cccs1 ZINC000179647966 565996035 /nfs/dbraw/zinc/99/60/35/565996035.db2.gz RSEXEEAYVNCXAR-UHFFFAOYSA-N 1 2 386.926 3.050 20 10 GGCDLO CC[C@@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)cc(Cl)c1O ZINC000287227437 566005973 /nfs/dbraw/zinc/00/59/73/566005973.db2.gz YBICFBMWJHMDEC-OAHLLOKOSA-N 1 2 378.296 3.298 20 10 GGCDLO CC[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287270108 566007754 /nfs/dbraw/zinc/00/77/54/566007754.db2.gz AXSUNYALSYEFGP-HZMBPMFUSA-N 1 2 381.325 3.021 20 10 GGCDLO CC[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287271559 566008135 /nfs/dbraw/zinc/00/81/35/566008135.db2.gz AXSUNYALSYEFGP-YGRLFVJLSA-N 1 2 381.325 3.021 20 10 GGCDLO C[C@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1O ZINC000363858986 566024403 /nfs/dbraw/zinc/02/44/03/566024403.db2.gz RXDBHCUOWJCNNT-ZUZCIYMTSA-N 1 2 398.276 3.211 20 10 GGCDLO CC[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(Cl)c1O ZINC000287735671 566037321 /nfs/dbraw/zinc/03/73/21/566037321.db2.gz PKCBUBNPHBEJBX-CQSZACIVSA-N 1 2 396.887 3.351 20 10 GGCDLO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865218 566093751 /nfs/dbraw/zinc/09/37/51/566093751.db2.gz XNUPCBHEOQDSFG-DTWKUNHWSA-N 1 2 379.092 3.120 20 10 GGCDLO C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865218 566093758 /nfs/dbraw/zinc/09/37/58/566093758.db2.gz XNUPCBHEOQDSFG-DTWKUNHWSA-N 1 2 379.092 3.120 20 10 GGCDLO O=S(=O)(c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1)N1CCCC1 ZINC000181374901 566137039 /nfs/dbraw/zinc/13/70/39/566137039.db2.gz MESQPZSHRHGMJP-UHFFFAOYSA-N 1 2 380.897 3.120 20 10 GGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000366232027 566142864 /nfs/dbraw/zinc/14/28/64/566142864.db2.gz VMYAECQHFHPMPV-MRXNPFEDSA-N 1 2 380.275 3.375 20 10 GGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@H]1CCC[N@H+]1Cc1ccccn1 ZINC000366232027 566142870 /nfs/dbraw/zinc/14/28/70/566142870.db2.gz VMYAECQHFHPMPV-MRXNPFEDSA-N 1 2 380.275 3.375 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](CS(C)(=O)=O)c2ccccc2)c1O ZINC000181784605 566165475 /nfs/dbraw/zinc/16/54/75/566165475.db2.gz JOQUEDLCKVIAPG-KRWDZBQOSA-N 1 2 381.881 3.124 20 10 GGCDLO C[N@@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000023652579 570368467 /nfs/dbraw/zinc/36/84/67/570368467.db2.gz PVRRSAVEVMAGTE-UHFFFAOYSA-N 1 2 384.524 3.321 20 10 GGCDLO C[N@H+](Cc1ccc(N2CCCCC2)cc1)CN1C(=O)NC2(CCCCC2)C1=O ZINC000023652579 570368471 /nfs/dbraw/zinc/36/84/71/570368471.db2.gz PVRRSAVEVMAGTE-UHFFFAOYSA-N 1 2 384.524 3.321 20 10 GGCDLO COc1ccc(N2CCC[N@H+](CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000053772166 1406507294 /nfs/dbraw/zinc/50/72/94/1406507294.db2.gz QOPOJDUQVYOBMN-UHFFFAOYSA-N 1 2 381.476 3.049 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](CC(=O)Nc3ccc(C(C)=O)cc3)CC2)cc1 ZINC000053772166 1406507307 /nfs/dbraw/zinc/50/73/07/1406507307.db2.gz QOPOJDUQVYOBMN-UHFFFAOYSA-N 1 2 381.476 3.049 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cc1 ZINC000053774093 1406507782 /nfs/dbraw/zinc/50/77/82/1406507782.db2.gz AXQTVAKHHVVHAS-KRWDZBQOSA-N 1 2 395.503 3.437 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cc1 ZINC000053774093 1406507788 /nfs/dbraw/zinc/50/77/88/1406507788.db2.gz AXQTVAKHHVVHAS-KRWDZBQOSA-N 1 2 395.503 3.437 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053774042 1406507854 /nfs/dbraw/zinc/50/78/54/1406507854.db2.gz NPSMDWJOOSQFPP-HNNXBMFYSA-N 1 2 388.899 3.283 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053774042 1406507860 /nfs/dbraw/zinc/50/78/60/1406507860.db2.gz NPSMDWJOOSQFPP-HNNXBMFYSA-N 1 2 388.899 3.283 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053774043 1406508232 /nfs/dbraw/zinc/50/82/32/1406508232.db2.gz NPSMDWJOOSQFPP-OAHLLOKOSA-N 1 2 388.899 3.283 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cccnc3Cl)CC2)cc1 ZINC000053774043 1406508240 /nfs/dbraw/zinc/50/82/40/1406508240.db2.gz NPSMDWJOOSQFPP-OAHLLOKOSA-N 1 2 388.899 3.283 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1cccc(Br)c1 ZINC000026858884 1399942214 /nfs/dbraw/zinc/94/22/14/1399942214.db2.gz NOKJWIQDCYLUJZ-UHFFFAOYSA-N 1 2 391.309 3.496 20 10 GGCDLO COC(=O)CCCN1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000028963689 1400217688 /nfs/dbraw/zinc/21/76/88/1400217688.db2.gz PUOKDBMUPNNJTK-RVDMUPIBSA-N 1 2 387.486 3.027 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@H+](C)[C@@H](C)c3ccccc3F)CC2)cc1 ZINC000052073351 1405922452 /nfs/dbraw/zinc/92/24/52/1405922452.db2.gz GFMRDISDIOGUCR-KRWDZBQOSA-N 1 2 385.483 3.176 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@@H+](C)[C@@H](C)c3ccccc3F)CC2)cc1 ZINC000052073351 1405922466 /nfs/dbraw/zinc/92/24/66/1405922466.db2.gz GFMRDISDIOGUCR-KRWDZBQOSA-N 1 2 385.483 3.176 20 10 GGCDLO CN1CCCc2cc(CNC(=O)NCc3ccccc3-n3cc[nH+]c3)ccc21 ZINC000058572802 1407846767 /nfs/dbraw/zinc/84/67/67/1407846767.db2.gz FQCDVEIYZYIVAJ-UHFFFAOYSA-N 1 2 375.476 3.254 20 10 GGCDLO Cc1cccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1C ZINC000066651344 1408877987 /nfs/dbraw/zinc/87/79/87/1408877987.db2.gz QQNHWKWLCONFDT-LGMDPLHJSA-N 1 2 376.547 3.227 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC(=O)NCc1ccccc1 ZINC000070975472 1409808995 /nfs/dbraw/zinc/80/89/95/1409808995.db2.gz GVGQLSLRNKCUAK-UHFFFAOYSA-N 1 2 393.443 3.013 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC(=O)NCc1ccccc1 ZINC000070975472 1409808998 /nfs/dbraw/zinc/80/89/98/1409808998.db2.gz GVGQLSLRNKCUAK-UHFFFAOYSA-N 1 2 393.443 3.013 20 10 GGCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3F)CC2)c1O ZINC000093006546 1410214090 /nfs/dbraw/zinc/21/40/90/1410214090.db2.gz VQVDTZCKIKORKF-UHFFFAOYSA-N 1 2 376.403 3.027 20 10 GGCDLO O=C1C[N@@H+](Cc2ccc(N3CCOCC3)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000093535239 1410251766 /nfs/dbraw/zinc/25/17/66/1410251766.db2.gz XRCUIXZOPJZHHW-UHFFFAOYSA-N 1 2 399.922 3.021 20 10 GGCDLO O=C1C[N@H+](Cc2ccc(N3CCOCC3)cc2)CCN1Cc1ccc(Cl)cc1 ZINC000093535239 1410251771 /nfs/dbraw/zinc/25/17/71/1410251771.db2.gz XRCUIXZOPJZHHW-UHFFFAOYSA-N 1 2 399.922 3.021 20 10 GGCDLO Cc1nsc(N2CCC[N@H+](Cc3cccc(Br)c3O)CC2)n1 ZINC000093716963 1410261635 /nfs/dbraw/zinc/26/16/35/1410261635.db2.gz MAHOTMASXNAZBT-UHFFFAOYSA-N 1 2 383.315 3.027 20 10 GGCDLO Cc1nsc(N2CCC[N@@H+](Cc3cccc(Br)c3O)CC2)n1 ZINC000093716963 1410261642 /nfs/dbraw/zinc/26/16/42/1410261642.db2.gz MAHOTMASXNAZBT-UHFFFAOYSA-N 1 2 383.315 3.027 20 10 GGCDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970875 1410341773 /nfs/dbraw/zinc/34/17/73/1410341773.db2.gz WZMBIVBAXSAKMP-VQIMIIECSA-N 1 2 399.491 3.392 20 10 GGCDLO C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970875 1410341774 /nfs/dbraw/zinc/34/17/74/1410341774.db2.gz WZMBIVBAXSAKMP-VQIMIIECSA-N 1 2 399.491 3.392 20 10 GGCDLO Oc1c(Br)cccc1C[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000101589076 1410474019 /nfs/dbraw/zinc/47/40/19/1410474019.db2.gz WFIAYFZKGDCGDR-UHFFFAOYSA-N 1 2 383.330 3.279 20 10 GGCDLO CCn1cc(N2C(=O)/C(=C/c3ccc(-n4cc[nH+]c4)cc3)SC2=S)cn1 ZINC000101960191 1410531978 /nfs/dbraw/zinc/53/19/78/1410531978.db2.gz ZLEMZEHRFHWTFC-SXGWCWSVSA-N 1 2 381.486 3.495 20 10 GGCDLO COc1c(C)c[nH+]c(CNC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000102001531 1410541163 /nfs/dbraw/zinc/54/11/63/1410541163.db2.gz RKWNPGZJCQRASP-QGZVFWFLSA-N 1 2 398.507 3.104 20 10 GGCDLO C[C@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000105194133 1411040998 /nfs/dbraw/zinc/04/09/98/1411040998.db2.gz YEHSLHCWWVTRCV-SFHVURJKSA-N 1 2 397.523 3.171 20 10 GGCDLO CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(O)c(Cl)c3)cc2F)CC1 ZINC000106922423 1411320908 /nfs/dbraw/zinc/32/09/08/1411320908.db2.gz XYOWXYCFJVMVCE-UHFFFAOYSA-N 1 2 391.874 3.257 20 10 GGCDLO C[N@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1O ZINC000109771080 1411808989 /nfs/dbraw/zinc/80/89/89/1411808989.db2.gz WPEUIBBUUQFRCW-UHFFFAOYSA-N 1 2 384.295 3.060 20 10 GGCDLO C[N@@H+](CCS(=O)(=O)c1ccc(Br)cc1)Cc1ccccc1O ZINC000109771080 1411808990 /nfs/dbraw/zinc/80/89/90/1411808990.db2.gz WPEUIBBUUQFRCW-UHFFFAOYSA-N 1 2 384.295 3.060 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CN3CCCCC3=O)CC2)c1O ZINC000177191086 1428622993 /nfs/dbraw/zinc/62/29/93/1428622993.db2.gz XZYJTGHUTHYBRR-UHFFFAOYSA-N 1 2 378.900 3.473 20 10 GGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1O ZINC000177238721 1428645551 /nfs/dbraw/zinc/64/55/51/1428645551.db2.gz SWSNKRRBUHKCPR-UHFFFAOYSA-N 1 2 383.423 3.214 20 10 GGCDLO Cc1ccc(F)c(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000116988549 1412973151 /nfs/dbraw/zinc/97/31/51/1412973151.db2.gz JZMWMIVTSKHWGQ-VBKFSLOCSA-N 1 2 380.510 3.058 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)c1O ZINC000177390650 1428715432 /nfs/dbraw/zinc/71/54/32/1428715432.db2.gz OMCYHXHDACWMSO-SFHVURJKSA-N 1 2 381.259 3.392 20 10 GGCDLO Cc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)n1-c1ccccn1 ZINC000119625446 1413508212 /nfs/dbraw/zinc/50/82/12/1413508212.db2.gz ZZDUTNSVBJKILS-GOSISDBHSA-N 1 2 377.492 3.318 20 10 GGCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c([N+](=O)[O-])c3)CC2)cc1F ZINC000122110686 1414365091 /nfs/dbraw/zinc/36/50/91/1414365091.db2.gz DCIFXTBYSRSFNU-UHFFFAOYSA-N 1 2 375.400 3.073 20 10 GGCDLO COc1cccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000123072458 1414633895 /nfs/dbraw/zinc/63/38/95/1414633895.db2.gz FLEPHCSNJDXMGU-UHFFFAOYSA-N 1 2 380.444 3.312 20 10 GGCDLO COc1cccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000123072458 1414633904 /nfs/dbraw/zinc/63/39/04/1414633904.db2.gz FLEPHCSNJDXMGU-UHFFFAOYSA-N 1 2 380.444 3.312 20 10 GGCDLO COc1ccc(N2CC[NH+](Cc3cc(F)cc4c3OCOC4)CC2)cc1F ZINC000177712900 1428840035 /nfs/dbraw/zinc/84/00/35/1428840035.db2.gz WOQBMOAMZDDNKG-UHFFFAOYSA-N 1 2 376.403 3.162 20 10 GGCDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000177947799 1428898347 /nfs/dbraw/zinc/89/83/47/1428898347.db2.gz LAPAIOLIIHRSKD-LJQANCHMSA-N 1 2 381.524 3.185 20 10 GGCDLO OC1CCN(c2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2F)CC1 ZINC000126146112 1415369259 /nfs/dbraw/zinc/36/92/59/1415369259.db2.gz UGUIJEXVMDUNFB-NRFANRHFSA-N 1 2 380.467 3.389 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)cc1 ZINC000177973285 1428908954 /nfs/dbraw/zinc/90/89/54/1428908954.db2.gz DAGRZZOOBSDKIS-LJQANCHMSA-N 1 2 383.540 3.431 20 10 GGCDLO C[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000148490331 1417764467 /nfs/dbraw/zinc/76/44/67/1417764467.db2.gz ZUFRPUGETZFRNM-KRWDZBQOSA-N 1 2 376.460 3.200 20 10 GGCDLO O=C1C[C@H](C[NH2+]Cc2cccc(Br)c2O)CN1Cc1ccccc1 ZINC000179052910 1429250910 /nfs/dbraw/zinc/25/09/10/1429250910.db2.gz KVTPBPUDKOHVRI-OAHLLOKOSA-N 1 2 389.293 3.293 20 10 GGCDLO C[C@@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000152421555 1422098897 /nfs/dbraw/zinc/09/88/97/1422098897.db2.gz LTTBVFOHKJZFBG-XLIONFOSSA-N 1 2 399.564 3.229 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000153117810 1422362514 /nfs/dbraw/zinc/36/25/14/1422362514.db2.gz ZCARFRKWKPLRSE-UTKZUKDTSA-N 1 2 397.523 3.153 20 10 GGCDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000153308766 1422460882 /nfs/dbraw/zinc/46/08/82/1422460882.db2.gz RXVRUQDPLZTJBX-QGZVFWFLSA-N 1 2 397.519 3.374 20 10 GGCDLO CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1C ZINC000153308766 1422460900 /nfs/dbraw/zinc/46/09/00/1422460900.db2.gz RXVRUQDPLZTJBX-QGZVFWFLSA-N 1 2 397.519 3.374 20 10 GGCDLO O=C(c1cccc(Cl)c1)N1CC[NH+](Cc2ccc(N3CCOCC3)cc2)CC1 ZINC000179933885 1429649481 /nfs/dbraw/zinc/64/94/81/1429649481.db2.gz AVJZCUNAOVMZBS-UHFFFAOYSA-N 1 2 399.922 3.135 20 10 GGCDLO COc1ccc(O)c([C@H](C)NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000157894576 1424114302 /nfs/dbraw/zinc/11/43/02/1424114302.db2.gz SUWHZJBTRWDEGQ-AWEZNQCLSA-N 1 2 385.489 3.468 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(c3ccc(C(C)=O)cc3F)CC2)cc1OC ZINC000158838990 1424354114 /nfs/dbraw/zinc/35/41/14/1424354114.db2.gz NEWFNXNRHSDZIF-UHFFFAOYSA-N 1 2 388.439 3.073 20 10 GGCDLO O=C1/C(=C/c2coc3ccccc23)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000160319571 1424595067 /nfs/dbraw/zinc/59/50/67/1424595067.db2.gz QJVYJBBESBFTDV-ATVHPVEESA-N 1 2 388.514 3.356 20 10 GGCDLO Cc1ccc(NC(=O)N[C@H](C)c2ccc(N3CCOCC3)cc2)c(N(C)C)[nH+]1 ZINC000162168043 1424822248 /nfs/dbraw/zinc/82/22/48/1424822248.db2.gz HIDBWDUXTQJFLF-MRXNPFEDSA-N 1 2 383.496 3.175 20 10 GGCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccccn3)CC2)c(O)c(C(C)(C)C)c1 ZINC000163929518 1425058408 /nfs/dbraw/zinc/05/84/08/1425058408.db2.gz DYKVMEYSLWYJBZ-UHFFFAOYSA-N 1 2 383.492 3.051 20 10 GGCDLO C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128744 /nfs/dbraw/zinc/12/87/44/1425128744.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N 1 2 380.488 3.245 20 10 GGCDLO C[N@H+]1CCC[C@H]2C[NH+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128745 /nfs/dbraw/zinc/12/87/45/1425128745.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N 1 2 380.488 3.245 20 10 GGCDLO C[NH+]1CCC[C@H]2C[N@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128747 /nfs/dbraw/zinc/12/87/47/1425128747.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N 1 2 380.488 3.245 20 10 GGCDLO C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(O)ccc(C(=O)c4ccccc4)c3[O-])CC[C@@H]21 ZINC000164610625 1425128748 /nfs/dbraw/zinc/12/87/48/1425128748.db2.gz KZBHTNSXANZFDV-PXNSSMCTSA-N 1 2 380.488 3.245 20 10 GGCDLO COc1cccc(C(=O)N2CC[NH+](Cc3cc(C(C)(C)C)cc(O)c3O)CC2)c1 ZINC000172474261 1426053720 /nfs/dbraw/zinc/05/37/20/1426053720.db2.gz CLOXIYPADJFPQJ-UHFFFAOYSA-N 1 2 398.503 3.362 20 10 GGCDLO CC[N@H+](CCS(=O)(=O)c1ccccc1)Cc1cc(Br)ccc1O ZINC000174424532 1427150735 /nfs/dbraw/zinc/15/07/35/1427150735.db2.gz ZPMHZOHTXIWCIV-UHFFFAOYSA-N 1 2 398.322 3.451 20 10 GGCDLO CC[N@@H+](CCS(=O)(=O)c1ccccc1)Cc1cc(Br)ccc1O ZINC000174424532 1427150739 /nfs/dbraw/zinc/15/07/39/1427150739.db2.gz ZPMHZOHTXIWCIV-UHFFFAOYSA-N 1 2 398.322 3.451 20 10 GGCDLO CC1(C)C[N@H+](CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 ZINC000174547674 1427217040 /nfs/dbraw/zinc/21/70/40/1427217040.db2.gz IDPISQOVXUPOHT-UHFFFAOYSA-N 1 2 389.540 3.347 20 10 GGCDLO CC1(C)C[N@@H+](CCNC(=O)N(Cc2ccccc2O)C2CCCCC2)CCO1 ZINC000174547674 1427217045 /nfs/dbraw/zinc/21/70/45/1427217045.db2.gz IDPISQOVXUPOHT-UHFFFAOYSA-N 1 2 389.540 3.347 20 10 GGCDLO C[C@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000174760875 1427353108 /nfs/dbraw/zinc/35/31/08/1427353108.db2.gz RFVAWZDESWDSLY-ROUUACIJSA-N 1 2 389.540 3.346 20 10 GGCDLO C[C@H]([C@H](C)NC(=O)N(Cc1ccccc1O)C1CCCCC1)[NH+]1CCOCC1 ZINC000174760854 1427353139 /nfs/dbraw/zinc/35/31/39/1427353139.db2.gz RFVAWZDESWDSLY-ZWKOTPCHSA-N 1 2 389.540 3.346 20 10 GGCDLO C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)[C@@H](C)[NH+]1CCOCC1 ZINC000174760866 1427353202 /nfs/dbraw/zinc/35/32/02/1427353202.db2.gz RFVAWZDESWDSLY-QZTJIDSGSA-N 1 2 389.540 3.346 20 10 GGCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(C)c3)c2C)CC1 ZINC000175019187 1427502279 /nfs/dbraw/zinc/50/22/79/1427502279.db2.gz SCDDIYHCDBJRIN-UHFFFAOYSA-N 1 2 381.520 3.433 20 10 GGCDLO C[N@H+](CCS(=O)(=O)c1cccc(Br)c1)Cc1ccccc1O ZINC000175660547 1427847955 /nfs/dbraw/zinc/84/79/55/1427847955.db2.gz ZVTZACLXHBSGEO-UHFFFAOYSA-N 1 2 384.295 3.060 20 10 GGCDLO C[N@@H+](CCS(=O)(=O)c1cccc(Br)c1)Cc1ccccc1O ZINC000175660547 1427847956 /nfs/dbraw/zinc/84/79/56/1427847956.db2.gz ZVTZACLXHBSGEO-UHFFFAOYSA-N 1 2 384.295 3.060 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000175741719 1427876056 /nfs/dbraw/zinc/87/60/56/1427876056.db2.gz YFLPPVGPLBMFAC-UHFFFAOYSA-N 1 2 384.407 3.249 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCc3c(cccc3N3CCOC3=O)C2)c1O ZINC000175741719 1427876059 /nfs/dbraw/zinc/87/60/59/1427876059.db2.gz YFLPPVGPLBMFAC-UHFFFAOYSA-N 1 2 384.407 3.249 20 10 GGCDLO COc1ccc(O)c(C[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000181035952 1430179697 /nfs/dbraw/zinc/17/96/97/1430179697.db2.gz VDFXEUUURDPXTQ-HXUWFJFHSA-N 1 2 383.448 3.031 20 10 GGCDLO COc1ccc(O)c([C@@H](C)[NH2+]Cc2nnc(C(=O)Nc3ccccc3)s2)c1 ZINC000182802942 1430542780 /nfs/dbraw/zinc/54/27/80/1430542780.db2.gz YFXDUEKAHCJDLA-GFCCVEGCSA-N 1 2 384.461 3.355 20 10 GGCDLO C[C@@H](Nc1ccc(N2CCOCC2)c[nH+]1)c1ccc(N2CCOCC2)c(F)c1 ZINC000182888014 1430562889 /nfs/dbraw/zinc/56/28/89/1430562889.db2.gz RAJMDSUHASHXHC-MRXNPFEDSA-N 1 2 386.471 3.067 20 10 GGCDLO C[N@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000182931453 1430574830 /nfs/dbraw/zinc/57/48/30/1430574830.db2.gz LAFSTOLXJWDFRS-UHFFFAOYSA-N 1 2 376.508 3.344 20 10 GGCDLO C[N@@H+](Cc1cn(Cc2cccnc2)nn1)Cc1ccc(N2CCCCC2)cc1 ZINC000182931453 1430574838 /nfs/dbraw/zinc/57/48/38/1430574838.db2.gz LAFSTOLXJWDFRS-UHFFFAOYSA-N 1 2 376.508 3.344 20 10 GGCDLO COc1ccc(C[NH+]2CCN(c3cc(OC)c(OC)c(OC)c3)CC2)cc1F ZINC000183696164 1430775316 /nfs/dbraw/zinc/77/53/16/1430775316.db2.gz QYRBZFAGBDVLGX-UHFFFAOYSA-N 1 2 390.455 3.182 20 10 GGCDLO COc1cc(N2CCN(c3cc(C)[nH+]c(C4CC4)n3)CC2)cc(OC)c1OC ZINC000183998747 1430826365 /nfs/dbraw/zinc/82/63/65/1430826365.db2.gz KIFXUOFPEZMDOA-UHFFFAOYSA-N 1 2 384.480 3.015 20 10 GGCDLO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1ncc(-c2ccccc2)o1 ZINC000184881671 1431011274 /nfs/dbraw/zinc/01/12/74/1431011274.db2.gz XRVILHAGAJBYAP-INIZCTEOSA-N 1 2 378.476 3.375 20 10 GGCDLO C[C@@H]([NH2+]Cc1ccccc1OCC[NH+]1CCOCC1)c1ccc(F)c(F)c1[O-] ZINC000187672597 1431796383 /nfs/dbraw/zinc/79/63/83/1431796383.db2.gz KRGADYYAGWMXBP-OAHLLOKOSA-N 1 2 392.446 3.232 20 10 GGCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000190180029 1432334630 /nfs/dbraw/zinc/33/46/30/1432334630.db2.gz ITOSCRYTVAOSKJ-LJQANCHMSA-N 1 2 375.513 3.170 20 10 GGCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@@H](CC(C)(C)C)OC1=O ZINC000190180029 1432334636 /nfs/dbraw/zinc/33/46/36/1432334636.db2.gz ITOSCRYTVAOSKJ-LJQANCHMSA-N 1 2 375.513 3.170 20 10 GGCDLO C[C@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191222425 1432595499 /nfs/dbraw/zinc/59/54/99/1432595499.db2.gz NECLFIVQXVLLFN-HNNXBMFYSA-N 1 2 392.446 3.232 20 10 GGCDLO CCc1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000192840050 1432897523 /nfs/dbraw/zinc/89/75/23/1432897523.db2.gz ZZTVSHPKSKUHSA-SAPNQHFASA-N 1 2 376.547 3.173 20 10 GGCDLO COc1ccc(-c2nc(C[N@H+]3CCCN(c4ccc(OC)cc4)CC3)no2)cc1 ZINC000194078251 1433112996 /nfs/dbraw/zinc/11/29/96/1433112996.db2.gz NMJQDMLRAQNAOV-UHFFFAOYSA-N 1 2 394.475 3.466 20 10 GGCDLO COc1ccc(-c2nc(C[N@@H+]3CCCN(c4ccc(OC)cc4)CC3)no2)cc1 ZINC000194078251 1433112998 /nfs/dbraw/zinc/11/29/98/1433112998.db2.gz NMJQDMLRAQNAOV-UHFFFAOYSA-N 1 2 394.475 3.466 20 10 GGCDLO CC[C@@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000194738987 1433222495 /nfs/dbraw/zinc/22/24/95/1433222495.db2.gz NABBMVICYPNTFE-NRFANRHFSA-N 1 2 383.492 3.243 20 10 GGCDLO COc1cc(OC)cc([C@@H]([NH2+]Cc2cccc(OC)c2O)c2nccn2C)c1 ZINC000237364047 1433399218 /nfs/dbraw/zinc/39/92/18/1433399218.db2.gz QPVUGDSPMDQGHF-LJQANCHMSA-N 1 2 383.448 3.031 20 10 GGCDLO Cc1cc(F)ccc1/C=C1/SC(=S)N(CCC[NH+]2CCOCC2)C1=O ZINC000255000948 1433873861 /nfs/dbraw/zinc/87/38/61/1433873861.db2.gz LOSSZNGJHJXAMO-FOWTUZBSSA-N 1 2 380.510 3.058 20 10 GGCDLO C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCc3ccc(O)c(O)c3)n2)C1 ZINC000265216626 1434201217 /nfs/dbraw/zinc/20/12/17/1434201217.db2.gz WCHMPBPGIGRUOP-CYBMUJFWSA-N 1 2 390.509 3.150 20 10 GGCDLO C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCc3ccc(O)c(O)c3)n2)C1 ZINC000265216626 1434201218 /nfs/dbraw/zinc/20/12/18/1434201218.db2.gz WCHMPBPGIGRUOP-CYBMUJFWSA-N 1 2 390.509 3.150 20 10 GGCDLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267596694 1434448537 /nfs/dbraw/zinc/44/85/37/1434448537.db2.gz OJGCYBDBLPXQTD-BBJJLJPOSA-N 1 2 397.479 3.259 20 10 GGCDLO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000269392137 1434637121 /nfs/dbraw/zinc/63/71/21/1434637121.db2.gz AQZUMXYPHDMNMM-OAHLLOKOSA-N 1 2 390.505 3.035 20 10 GGCDLO CCC[N@@H+](Cc1ccccc1O)[C@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000269392137 1434637127 /nfs/dbraw/zinc/63/71/27/1434637127.db2.gz AQZUMXYPHDMNMM-OAHLLOKOSA-N 1 2 390.505 3.035 20 10 GGCDLO C[C@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420069 1434823221 /nfs/dbraw/zinc/82/32/21/1434823221.db2.gz BPLSTSPGIPYZQW-UGSOOPFHSA-N 1 2 380.410 3.325 20 10 GGCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nnc3ccc(C(F)(F)F)cn32)c1 ZINC000273421891 1434987824 /nfs/dbraw/zinc/98/78/24/1434987824.db2.gz SFHAKJXHKSFIMI-SNVBAGLBSA-N 1 2 394.353 3.091 20 10 GGCDLO COC(=O)c1ccc(O)c([C@@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c1 ZINC000273569597 1434997274 /nfs/dbraw/zinc/99/72/74/1434997274.db2.gz KKLBYHXXUXVKKJ-MRXNPFEDSA-N 1 2 379.460 3.469 20 10 GGCDLO Cc1cc(C(=O)N[C@H]2CCO[C@H](c3c[nH+]cn3C)C2)c(C)n1-c1ccccc1 ZINC000276334191 1435205517 /nfs/dbraw/zinc/20/55/17/1435205517.db2.gz QABYLDIDXBWYLO-UWJYYQICSA-N 1 2 378.476 3.478 20 10 GGCDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278173498 1435366356 /nfs/dbraw/zinc/36/63/56/1435366356.db2.gz FZNCQRVNMHODJJ-UHFFFAOYSA-N 1 2 387.436 3.386 20 10 GGCDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278173498 1435366359 /nfs/dbraw/zinc/36/63/59/1435366359.db2.gz FZNCQRVNMHODJJ-UHFFFAOYSA-N 1 2 387.436 3.386 20 10 GGCDLO CN(C)c1ncnc(Cl)c1C[N@@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278539669 1435398374 /nfs/dbraw/zinc/39/83/74/1435398374.db2.gz GCBHEYKOPQYPTI-OAHLLOKOSA-N 1 2 376.888 3.083 20 10 GGCDLO CN(C)c1ncnc(Cl)c1C[N@H+](Cc1ccccc1O)C[C@H]1CCCO1 ZINC000278539669 1435398376 /nfs/dbraw/zinc/39/83/76/1435398376.db2.gz GCBHEYKOPQYPTI-OAHLLOKOSA-N 1 2 376.888 3.083 20 10 GGCDLO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932760 1435441393 /nfs/dbraw/zinc/44/13/93/1435441393.db2.gz WNPQVXUKCWCYJW-CQSZACIVSA-N 1 2 391.493 3.372 20 10 GGCDLO COc1c([O-])c(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932760 1435441396 /nfs/dbraw/zinc/44/13/96/1435441396.db2.gz WNPQVXUKCWCYJW-CQSZACIVSA-N 1 2 391.493 3.372 20 10 GGCDLO CCC[N@H+](Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccccc1O ZINC000283222594 1435880038 /nfs/dbraw/zinc/88/00/38/1435880038.db2.gz IBQPQEDZSLECJV-UHFFFAOYSA-N 1 2 376.457 3.212 20 10 GGCDLO CCC[N@@H+](Cc1noc(CNC(=O)OC(C)(C)C)n1)Cc1ccccc1O ZINC000283222594 1435880039 /nfs/dbraw/zinc/88/00/39/1435880039.db2.gz IBQPQEDZSLECJV-UHFFFAOYSA-N 1 2 376.457 3.212 20 10 GGCDLO O=S(=O)(c1ccccc1)N1CC[NH+](Cc2ccc3ccccc3c2O)CC1 ZINC000045392213 205095229 /nfs/dbraw/zinc/09/52/29/205095229.db2.gz IWPZDSJPEQRQCK-UHFFFAOYSA-N 1 2 382.485 3.052 20 10 GGCDLO COCCCNC(=O)C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1 ZINC000092362001 564877432 /nfs/dbraw/zinc/87/74/32/564877432.db2.gz VDVDPNMOMZHVKG-UHFFFAOYSA-N 1 2 375.296 3.064 20 10 GGCDLO C[C@@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1O ZINC000184877964 565162246 /nfs/dbraw/zinc/16/22/46/565162246.db2.gz OIPBKGLGOJLDII-SNVBAGLBSA-N 1 2 383.265 3.463 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293944364 565191716 /nfs/dbraw/zinc/19/17/16/565191716.db2.gz IGYCKGVIRHPPOZ-LLVKDONJSA-N 1 2 379.092 3.264 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293944364 565191722 /nfs/dbraw/zinc/19/17/22/565191722.db2.gz IGYCKGVIRHPPOZ-LLVKDONJSA-N 1 2 379.092 3.264 20 10 GGCDLO C[C@@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186082534 565238084 /nfs/dbraw/zinc/23/80/84/565238084.db2.gz OARXYDFCKJUCDY-ZWNOBZJWSA-N 1 2 383.279 3.279 20 10 GGCDLO Cc1cc(N2CC[C@@H]([NH2+][C@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)n(C)n1 ZINC000186083723 565238280 /nfs/dbraw/zinc/23/82/80/565238280.db2.gz VCODXTAQFUWDHU-ZWNOBZJWSA-N 1 2 383.279 3.197 20 10 GGCDLO COCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000186128501 565242536 /nfs/dbraw/zinc/24/25/36/565242536.db2.gz ZEJOVTAXVOFKPA-NSHDSACASA-N 1 2 375.296 3.377 20 10 GGCDLO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1cc(Br)cc(Br)c1O ZINC000186220475 565247462 /nfs/dbraw/zinc/24/74/62/565247462.db2.gz FUDZIMRZMVODFK-SSDOTTSWSA-N 1 2 394.107 3.079 20 10 GGCDLO COC[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000271731536 565265756 /nfs/dbraw/zinc/26/57/56/565265756.db2.gz NCLOGCXLLQIOKL-VIFPVBQESA-N 1 2 379.092 3.386 20 10 GGCDLO COC[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000271731536 565265761 /nfs/dbraw/zinc/26/57/61/565265761.db2.gz NCLOGCXLLQIOKL-VIFPVBQESA-N 1 2 379.092 3.386 20 10 GGCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000271785373 565268560 /nfs/dbraw/zinc/26/85/60/565268560.db2.gz FOTDERLKXTXPGV-IUCAKERBSA-N 1 2 379.092 3.432 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000373467898 565287382 /nfs/dbraw/zinc/28/73/82/565287382.db2.gz SYZIMRBTGCGARK-SECBINFHSA-N 1 2 391.103 3.386 20 10 GGCDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000296556007 565322927 /nfs/dbraw/zinc/32/29/27/565322927.db2.gz RUVKMEDUXLSHPP-BZQUYTCOSA-N 1 2 387.929 3.273 20 10 GGCDLO CC(C)(O)C1C[NH+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000297425018 565372085 /nfs/dbraw/zinc/37/20/85/565372085.db2.gz NWZLIFCLXWXUJH-UHFFFAOYSA-N 1 2 379.092 3.120 20 10 GGCDLO CCN(Cc1cc(Br)ccc1O)C(=O)NCc1c[nH+]ccc1OC ZINC000297931629 565392820 /nfs/dbraw/zinc/39/28/20/565392820.db2.gz JOLQWEUOKHJQJF-UHFFFAOYSA-N 1 2 394.269 3.290 20 10 GGCDLO C[C@H]([NH2+]C[C@@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1O ZINC000375846893 565408885 /nfs/dbraw/zinc/40/88/85/565408885.db2.gz KRTWBMDPUQDKIC-YMNVWFMLSA-N 1 2 386.279 3.070 20 10 GGCDLO NC(=O)c1ccccc1N1CC[C@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000377651380 565491363 /nfs/dbraw/zinc/49/13/63/565491363.db2.gz ZPUCLTGFMPIJCT-ZDUSSCGKSA-N 1 2 380.275 3.166 20 10 GGCDLO C[C@@H](Nc1[nH+]cnc2c1c(Br)nn2C)c1ccc(N(C)C)cc1 ZINC000302457352 565542236 /nfs/dbraw/zinc/54/22/36/565542236.db2.gz UQJTWDJUJJCHJI-SNVBAGLBSA-N 1 2 375.274 3.365 20 10 GGCDLO COc1c(O)c(C[N@H+](C)Cc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278166229 565543101 /nfs/dbraw/zinc/54/31/01/565543101.db2.gz FHZRANPSZPZXLB-UHFFFAOYSA-N 1 2 377.344 3.416 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)ccc1[N+](=O)[O-] ZINC000278166229 565543107 /nfs/dbraw/zinc/54/31/07/565543107.db2.gz FHZRANPSZPZXLB-UHFFFAOYSA-N 1 2 377.344 3.416 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)Cc2cc(Br)cn2C)ccc1[N+](=O)[O-] ZINC000278846936 565580967 /nfs/dbraw/zinc/58/09/67/565580967.db2.gz KSIHOVKHLICWDD-UHFFFAOYSA-N 1 2 384.230 3.042 20 10 GGCDLO CCS(=O)(=O)C1CC[NH+](Cc2ccc(N(C)C)cc2C(F)(F)F)CC1 ZINC000280655282 565687361 /nfs/dbraw/zinc/68/73/61/565687361.db2.gz SMKYUGXCOZKKBJ-UHFFFAOYSA-N 1 2 378.460 3.171 20 10 GGCDLO CN1C(=O)/C(=C/c2ccc(N3CCCC3)[nH+]c2)c2cc(Br)cnc21 ZINC000281189972 565716650 /nfs/dbraw/zinc/71/66/50/565716650.db2.gz RFGPPXWQLOUCAE-OVCLIPMQSA-N 1 2 385.265 3.356 20 10 GGCDLO CCOC1CC(C[NH2+]Cc2cc(Cl)cc(Cl)c2O)(N2CCOCC2)C1 ZINC000195459503 565884477 /nfs/dbraw/zinc/88/44/77/565884477.db2.gz OHLIQEXJSPMOFG-UHFFFAOYSA-N 1 2 389.323 3.059 20 10 GGCDLO CC(C)(C)NS(=O)(=O)c1ccccc1C[NH2+]Cc1cccc(Cl)c1O ZINC000181189938 566122727 /nfs/dbraw/zinc/12/27/27/566122727.db2.gz MCBVPCUBJPENDA-UHFFFAOYSA-N 1 2 382.913 3.412 20 10 GGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[N@@H+]1Cc1ccccn1 ZINC000366232026 566142700 /nfs/dbraw/zinc/14/27/00/566142700.db2.gz VMYAECQHFHPMPV-INIZCTEOSA-N 1 2 380.275 3.375 20 10 GGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)[C@@H]1CCC[N@H+]1Cc1ccccn1 ZINC000366232026 566142703 /nfs/dbraw/zinc/14/27/03/566142703.db2.gz VMYAECQHFHPMPV-INIZCTEOSA-N 1 2 380.275 3.375 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCNC3=O)CC2)c(C)n1-c1cccc(C)c1 ZINC000053285665 1406355923 /nfs/dbraw/zinc/35/59/23/1406355923.db2.gz KHKNQULDMOQCGP-UHFFFAOYSA-N 1 2 394.519 3.075 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cc1 ZINC000053774094 1406507801 /nfs/dbraw/zinc/50/78/01/1406507801.db2.gz AXQTVAKHHVVHAS-QGZVFWFLSA-N 1 2 395.503 3.437 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3ccccc3C(C)=O)CC2)cc1 ZINC000053774094 1406507806 /nfs/dbraw/zinc/50/78/06/1406507806.db2.gz AXQTVAKHHVVHAS-QGZVFWFLSA-N 1 2 395.503 3.437 20 10 GGCDLO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980291 1399705936 /nfs/dbraw/zinc/70/59/36/1399705936.db2.gz HLXBEGGMECOHCM-KSFYIVLOSA-N 1 2 386.540 3.279 20 10 GGCDLO C[C@@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980291 1399705942 /nfs/dbraw/zinc/70/59/42/1399705942.db2.gz HLXBEGGMECOHCM-KSFYIVLOSA-N 1 2 386.540 3.279 20 10 GGCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)c3ccc(F)cc3)CC2)c1 ZINC000026641567 1399912507 /nfs/dbraw/zinc/91/25/07/1399912507.db2.gz KYBCBFCPMPYKHH-UHFFFAOYSA-N 1 2 386.467 3.492 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@H+](C)Cc2cc(Br)cs2)cc1 ZINC000052847850 1406197354 /nfs/dbraw/zinc/19/73/54/1406197354.db2.gz OCSUMYSKPNAFAW-UHFFFAOYSA-N 1 2 396.354 3.325 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](C)Cc2cc(Br)cs2)cc1 ZINC000052847850 1406197365 /nfs/dbraw/zinc/19/73/65/1406197365.db2.gz OCSUMYSKPNAFAW-UHFFFAOYSA-N 1 2 396.354 3.325 20 10 GGCDLO O=C(NCc1ccc(N2CCCC2)cc1)NCc1ccccc1-n1cc[nH+]c1 ZINC000056895542 1407469594 /nfs/dbraw/zinc/46/95/94/1407469594.db2.gz LLPOJILDNMCCSM-UHFFFAOYSA-N 1 2 375.476 3.472 20 10 GGCDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCc2ccc3c(c2)CCCN3C)c1C ZINC000057662249 1407679640 /nfs/dbraw/zinc/67/96/40/1407679640.db2.gz YMFLYGKKQBQVTF-UHFFFAOYSA-N 1 2 382.508 3.431 20 10 GGCDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1ccc(N2CCCC2)cc1 ZINC000066890182 1408942294 /nfs/dbraw/zinc/94/22/94/1408942294.db2.gz VBLIKZXPKYUKMJ-UHFFFAOYSA-N 1 2 375.476 3.472 20 10 GGCDLO Cc1noc(C)c1C[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000091890098 1410090849 /nfs/dbraw/zinc/09/08/49/1410090849.db2.gz HVPYDZAPORSGRF-UHFFFAOYSA-N 1 2 380.286 3.077 20 10 GGCDLO COc1ccc(C(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c(OC)c1 ZINC000092168052 1410115777 /nfs/dbraw/zinc/11/57/77/1410115777.db2.gz APHNYNPLXZFADG-UHFFFAOYSA-N 1 2 390.867 3.021 20 10 GGCDLO CCOc1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3F)CC2)c1O ZINC000092589920 1410177980 /nfs/dbraw/zinc/17/79/80/1410177980.db2.gz HMLXUZSAPVAWBV-UHFFFAOYSA-N 1 2 376.403 3.027 20 10 GGCDLO CCc1nsc(N2CCC[N@H+](Cc3cccc(Br)c3O)CC2)n1 ZINC000093871573 1410278613 /nfs/dbraw/zinc/27/86/13/1410278613.db2.gz AANOKDXOZHPNEA-UHFFFAOYSA-N 1 2 397.342 3.281 20 10 GGCDLO CCc1nsc(N2CCC[N@@H+](Cc3cccc(Br)c3O)CC2)n1 ZINC000093871573 1410278622 /nfs/dbraw/zinc/27/86/22/1410278622.db2.gz AANOKDXOZHPNEA-UHFFFAOYSA-N 1 2 397.342 3.281 20 10 GGCDLO CCN(CC)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1F ZINC000109001794 1411658674 /nfs/dbraw/zinc/65/86/74/1411658674.db2.gz ABDSDPVOASJSAP-QGZVFWFLSA-N 1 2 387.503 3.283 20 10 GGCDLO CCN(CC)c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1F ZINC000109001794 1411658679 /nfs/dbraw/zinc/65/86/79/1411658679.db2.gz ABDSDPVOASJSAP-QGZVFWFLSA-N 1 2 387.503 3.283 20 10 GGCDLO CN(C)S(=O)(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000109761344 1411808366 /nfs/dbraw/zinc/80/83/66/1411808366.db2.gz UVHJSTTUWVNZJB-UHFFFAOYSA-N 1 2 390.461 3.031 20 10 GGCDLO CN(C)S(=O)(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)o1 ZINC000109761344 1411808369 /nfs/dbraw/zinc/80/83/69/1411808369.db2.gz UVHJSTTUWVNZJB-UHFFFAOYSA-N 1 2 390.461 3.031 20 10 GGCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCC[C@H](CO)C2)[nH+]cn1 ZINC000110123810 1411832734 /nfs/dbraw/zinc/83/27/34/1411832734.db2.gz XBDHQDGUFXERGH-FQEVSTJZSA-N 1 2 395.551 3.312 20 10 GGCDLO CN(Cc1ccc(N2CCCCC2)cc1)c1cc(N2CCC[C@H](CO)C2)nc[nH+]1 ZINC000110123810 1411832736 /nfs/dbraw/zinc/83/27/36/1411832736.db2.gz XBDHQDGUFXERGH-FQEVSTJZSA-N 1 2 395.551 3.312 20 10 GGCDLO NC(=O)c1ccc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000111232784 1411896493 /nfs/dbraw/zinc/89/64/93/1411896493.db2.gz GHZCDFMVTUUMTA-UHFFFAOYSA-N 1 2 381.388 3.195 20 10 GGCDLO NC(=O)c1ccc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])c1 ZINC000111232784 1411896494 /nfs/dbraw/zinc/89/64/94/1411896494.db2.gz GHZCDFMVTUUMTA-UHFFFAOYSA-N 1 2 381.388 3.195 20 10 GGCDLO COCc1cccc(CNC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000111232800 1411896669 /nfs/dbraw/zinc/89/66/69/1411896669.db2.gz WXCOVZATZJQYFY-UHFFFAOYSA-N 1 2 394.471 3.450 20 10 GGCDLO COCc1cccc(CNC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000111232800 1411896671 /nfs/dbraw/zinc/89/66/71/1411896671.db2.gz WXCOVZATZJQYFY-UHFFFAOYSA-N 1 2 394.471 3.450 20 10 GGCDLO O=C(C[N@H+](Cc1ccco1)Cc1ccccc1O)NC[C@@H]1Cc2ccccc2O1 ZINC000111232867 1411896739 /nfs/dbraw/zinc/89/67/39/1411896739.db2.gz LOUKXTYBUYMOOH-FQEVSTJZSA-N 1 2 392.455 3.107 20 10 GGCDLO O=C(C[N@@H+](Cc1ccco1)Cc1ccccc1O)NC[C@@H]1Cc2ccccc2O1 ZINC000111232867 1411896740 /nfs/dbraw/zinc/89/67/40/1411896740.db2.gz LOUKXTYBUYMOOH-FQEVSTJZSA-N 1 2 392.455 3.107 20 10 GGCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@@H](C)c2cccnc2)CC1 ZINC000115854496 1412802658 /nfs/dbraw/zinc/80/26/58/1412802658.db2.gz BEEHIFMWKOIPQB-SFHVURJKSA-N 1 2 381.524 3.044 20 10 GGCDLO Cc1cc(N(C)C)ccc1CNC(=O)N1CC[NH+]([C@H](C)c2cccnc2)CC1 ZINC000115854500 1412802907 /nfs/dbraw/zinc/80/29/07/1412802907.db2.gz BEEHIFMWKOIPQB-GOSISDBHSA-N 1 2 381.524 3.044 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@H+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000119175160 1413365996 /nfs/dbraw/zinc/36/59/96/1413365996.db2.gz GVHBMVHMNXWDDU-QGZVFWFLSA-N 1 2 383.492 3.162 20 10 GGCDLO COc1ccc(N2CCN(C(=O)C[N@@H+]([C@H](C)c3ccco3)C3CC3)CC2)cc1 ZINC000119175160 1413366001 /nfs/dbraw/zinc/36/60/01/1413366001.db2.gz GVHBMVHMNXWDDU-QGZVFWFLSA-N 1 2 383.492 3.162 20 10 GGCDLO O=C(CN1CC[NH+](Cc2cc(Cl)ccc2O)CC1)Nc1ccccc1Cl ZINC000119559988 1413485721 /nfs/dbraw/zinc/48/57/21/1413485721.db2.gz XAXCFYDVLJWSGM-UHFFFAOYSA-N 1 2 394.302 3.455 20 10 GGCDLO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1c(O)cccc1Cl ZINC000120296998 1413772982 /nfs/dbraw/zinc/77/29/82/1413772982.db2.gz UXYKPBBVEWDVRQ-UHFFFAOYSA-N 1 2 383.897 3.350 20 10 GGCDLO C[N@@H+](CCCOc1ccc(S(C)(=O)=O)cc1)Cc1c(O)cccc1Cl ZINC000120296998 1413772987 /nfs/dbraw/zinc/77/29/87/1413772987.db2.gz UXYKPBBVEWDVRQ-UHFFFAOYSA-N 1 2 383.897 3.350 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)cc1F ZINC000120455746 1413821981 /nfs/dbraw/zinc/82/19/81/1413821981.db2.gz XLGVVDKTUJJFSQ-QGZVFWFLSA-N 1 2 385.487 3.145 20 10 GGCDLO OC1CCN(c2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2F)CC1 ZINC000126146326 1415368751 /nfs/dbraw/zinc/36/87/51/1415368751.db2.gz UGUIJEXVMDUNFB-OAQYLSRUSA-N 1 2 380.467 3.389 20 10 GGCDLO OCC1CCN(c2ccc(C[NH2+][C@H](c3ncc[nH]3)c3ccccc3)cc2)CC1 ZINC000126146818 1415369120 /nfs/dbraw/zinc/36/91/20/1415369120.db2.gz YYDDLNYXJCZRGS-QFIPXVFZSA-N 1 2 376.504 3.498 20 10 GGCDLO COc1ccc(N2CC[NH+](Cn3cnc4cc(F)c(F)cc43)CC2)cc1F ZINC000132809195 1416817478 /nfs/dbraw/zinc/81/74/78/1416817478.db2.gz NDXGGGGRJYDHQC-UHFFFAOYSA-N 1 2 376.382 3.242 20 10 GGCDLO O=C(N[C@@H]1CCC[N@@H+](Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])s1 ZINC000134264284 1417046656 /nfs/dbraw/zinc/04/66/56/1417046656.db2.gz SRKFUURWPDRLAC-CYBMUJFWSA-N 1 2 395.868 3.410 20 10 GGCDLO O=C(N[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2O)C1)c1ccc([N+](=O)[O-])s1 ZINC000134264284 1417046661 /nfs/dbraw/zinc/04/66/61/1417046661.db2.gz SRKFUURWPDRLAC-CYBMUJFWSA-N 1 2 395.868 3.410 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCNC3=O)CC2)c(C)n1-c1ccccc1 ZINC000135422488 1417218270 /nfs/dbraw/zinc/21/82/70/1417218270.db2.gz LFIGKJKDROPTKA-UHFFFAOYSA-N 1 2 394.519 3.157 20 10 GGCDLO C[N@H+](Cc1cc(Cl)ccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136964175 1417358326 /nfs/dbraw/zinc/35/83/26/1417358326.db2.gz BBQLRTCIIODIRE-HNNXBMFYSA-N 1 2 383.673 3.467 20 10 GGCDLO C[N@@H+](Cc1cc(Cl)ccc1O)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000136964175 1417358331 /nfs/dbraw/zinc/35/83/31/1417358331.db2.gz BBQLRTCIIODIRE-HNNXBMFYSA-N 1 2 383.673 3.467 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000137529516 1417390250 /nfs/dbraw/zinc/39/02/50/1417390250.db2.gz VINJJDOMZDQMBH-INIZCTEOSA-N 1 2 387.911 3.176 20 10 GGCDLO COc1ccc(N2CC[NH+](C[C@H](O)c3ccccc3Br)CC2)cc1 ZINC000152520424 1422129787 /nfs/dbraw/zinc/12/97/87/1422129787.db2.gz JLCBJOPDXZSFQK-IBGZPJMESA-N 1 2 391.309 3.313 20 10 GGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@H]1CCN(c2cccc[nH+]2)C1 ZINC000152989681 1422318720 /nfs/dbraw/zinc/31/87/20/1422318720.db2.gz BVZBKOPSDZRSMZ-FQEVSTJZSA-N 1 2 393.535 3.492 20 10 GGCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000153240319 1422412322 /nfs/dbraw/zinc/41/23/22/1422412322.db2.gz KVALOWLHMRQQME-UHFFFAOYSA-N 1 2 398.894 3.045 20 10 GGCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC000153240319 1422412323 /nfs/dbraw/zinc/41/23/23/1422412323.db2.gz KVALOWLHMRQQME-UHFFFAOYSA-N 1 2 398.894 3.045 20 10 GGCDLO Cc1cc(NC(=O)c2ccc3c(c2[N+](=O)[O-])C(=O)c2ccccc2C3=O)cc[nH+]1 ZINC000153781792 1422754269 /nfs/dbraw/zinc/75/42/69/1422754269.db2.gz YYTDJLSWWPWVQI-UHFFFAOYSA-N 1 2 387.351 3.326 20 10 GGCDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154588268 1422946942 /nfs/dbraw/zinc/94/69/42/1422946942.db2.gz ZRFXHIZRUCIJGS-HNNXBMFYSA-N 1 2 391.566 3.109 20 10 GGCDLO COc1ccc(O)c([C@@H](C)NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)c1 ZINC000157894725 1424114449 /nfs/dbraw/zinc/11/44/49/1424114449.db2.gz SUWHZJBTRWDEGQ-CQSZACIVSA-N 1 2 385.489 3.468 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CCCc3ccccc3)CC2)cc1OC ZINC000160059789 1424567726 /nfs/dbraw/zinc/56/77/26/1424567726.db2.gz GSGVSGJVPQJEBP-UHFFFAOYSA-N 1 2 398.503 3.077 20 10 GGCDLO COC(=O)C[N@H+](CCC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1O ZINC000173362982 1426535606 /nfs/dbraw/zinc/53/56/06/1426535606.db2.gz LRVDGDFSHKMIQK-UHFFFAOYSA-N 1 2 390.867 3.358 20 10 GGCDLO COC(=O)C[N@@H+](CCC(=O)Nc1ccccc1C)Cc1cc(Cl)ccc1O ZINC000173362982 1426535614 /nfs/dbraw/zinc/53/56/14/1426535614.db2.gz LRVDGDFSHKMIQK-UHFFFAOYSA-N 1 2 390.867 3.358 20 10 GGCDLO Cc1cc(C(=O)N2CCC[C@H]2C[NH+]2CCOCC2)c(C)n1-c1ccc(F)cc1 ZINC000174470203 1427170900 /nfs/dbraw/zinc/17/09/00/1427170900.db2.gz GLDKGZXORDGQAW-FQEVSTJZSA-N 1 2 385.483 3.170 20 10 GGCDLO O=C(NCc1cc[nH+]c(N2CCCC2)c1)NCc1c(O)ccc2c1CCCC2 ZINC000174863047 1427414904 /nfs/dbraw/zinc/41/49/04/1427414904.db2.gz WZCPVRYPFFPVEV-UHFFFAOYSA-N 1 2 380.492 3.266 20 10 GGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCN(c3ncnc4sccc43)CC2)c1O ZINC000175575779 1427820071 /nfs/dbraw/zinc/82/00/71/1427820071.db2.gz AECITNFZLZBBDW-UHFFFAOYSA-N 1 2 386.452 3.061 20 10 GGCDLO O=C(NCc1ccccc1-n1cc[nH+]c1)NCc1c(O)ccc2c1CCCC2 ZINC000175852426 1427932705 /nfs/dbraw/zinc/93/27/05/1427932705.db2.gz MGXDRERJMNSQEE-UHFFFAOYSA-N 1 2 376.460 3.456 20 10 GGCDLO COc1ccc(C(=O)N2CC[NH+](C)CC2)cc1NCc1cccc(Cl)c1O ZINC000181006381 1430163660 /nfs/dbraw/zinc/16/36/60/1430163660.db2.gz PAVWUANWODHMJR-UHFFFAOYSA-N 1 2 389.883 3.054 20 10 GGCDLO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000182340909 1430451207 /nfs/dbraw/zinc/45/12/07/1430451207.db2.gz PJGRBIJQFNEWGS-UHFFFAOYSA-N 1 2 394.924 3.130 20 10 GGCDLO Oc1cc2c(cc1CN1CCc3c([nH+]cn3CCc3ccccc3)C1)OCO2 ZINC000184742520 1430961069 /nfs/dbraw/zinc/96/10/69/1430961069.db2.gz UCSYGOUAIXEEEQ-UHFFFAOYSA-N 1 2 377.444 3.118 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187730903 1431805034 /nfs/dbraw/zinc/80/50/34/1431805034.db2.gz VVKDIIAAQBLLRR-QGZVFWFLSA-N 1 2 388.533 3.372 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187730903 1431805036 /nfs/dbraw/zinc/80/50/36/1431805036.db2.gz VVKDIIAAQBLLRR-QGZVFWFLSA-N 1 2 388.533 3.372 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3nnnn3C3CCCCC3)CC2)cc1 ZINC000188848381 1431996901 /nfs/dbraw/zinc/99/69/01/1431996901.db2.gz JMFUPAFDZORWOP-KRWDZBQOSA-N 1 2 384.528 3.460 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)c3nnnn3C3CCCCC3)CC2)cc1 ZINC000188848381 1431996903 /nfs/dbraw/zinc/99/69/03/1431996903.db2.gz JMFUPAFDZORWOP-KRWDZBQOSA-N 1 2 384.528 3.460 20 10 GGCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(N2CC=CC2)cc1 ZINC000190467874 1432387352 /nfs/dbraw/zinc/38/73/52/1432387352.db2.gz HHUPFGKHTPPMET-UHFFFAOYSA-N 1 2 381.524 3.444 20 10 GGCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000192366330 1432837805 /nfs/dbraw/zinc/83/78/05/1432837805.db2.gz RQIOQPNZVFBUMC-UHFFFAOYSA-N 1 2 383.540 3.450 20 10 GGCDLO CC(C)(C)c1cc(O)c(O)c(C[NH+]2CCN(C(=O)Cc3ccccc3)CC2)c1 ZINC000193395035 1432990381 /nfs/dbraw/zinc/99/03/81/1432990381.db2.gz FNOFLNQLDCOMMG-UHFFFAOYSA-N 1 2 382.504 3.282 20 10 GGCDLO O=C1/C(=C/c2ccc3c(c2)CCC3)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000255114216 1433876620 /nfs/dbraw/zinc/87/66/20/1433876620.db2.gz XRXQBLXRBQPYLN-JXAWBTAJSA-N 1 2 388.558 3.099 20 10 GGCDLO CCn1cc(N2C(=O)/C(=C\c3ccc(-n4cc[nH+]c4)cc3)SC2=S)cn1 ZINC000255233901 1433878740 /nfs/dbraw/zinc/87/87/40/1433878740.db2.gz ZLEMZEHRFHWTFC-CXUHLZMHSA-N 1 2 381.486 3.495 20 10 GGCDLO C[C@@H]1C[C@@H]1c1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000255719035 1433888458 /nfs/dbraw/zinc/88/84/58/1433888458.db2.gz QDIIOKLKEZGIOB-CBOOSODOSA-N 1 2 392.546 3.327 20 10 GGCDLO C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@@H](C)O1 ZINC000267935415 1434478843 /nfs/dbraw/zinc/47/88/43/1434478843.db2.gz QCTYIPQVRQNWCH-HZPDHXFCSA-N 1 2 399.491 3.071 20 10 GGCDLO C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000267935418 1434478857 /nfs/dbraw/zinc/47/88/57/1434478857.db2.gz QCTYIPQVRQNWCH-IYBDPMFKSA-N 1 2 399.491 3.071 20 10 GGCDLO C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCc2ccc(O)c(O)c2)C[C@H](C)O1 ZINC000267935418 1434478859 /nfs/dbraw/zinc/47/88/59/1434478859.db2.gz QCTYIPQVRQNWCH-IYBDPMFKSA-N 1 2 399.491 3.071 20 10 GGCDLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000268091611 1434493924 /nfs/dbraw/zinc/49/39/24/1434493924.db2.gz KSRFWUXTOPZJFO-FQEVSTJZSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cc1 ZINC000268091611 1434493925 /nfs/dbraw/zinc/49/39/25/1434493925.db2.gz KSRFWUXTOPZJFO-FQEVSTJZSA-N 1 2 382.460 3.215 20 10 GGCDLO Oc1ccc(-c2ccccc2)cc1CNc1cnn(CC[NH+]2CCOCC2)c1 ZINC000271792850 1434850981 /nfs/dbraw/zinc/85/09/81/1434850981.db2.gz HGGHLDOEMYWQOL-UHFFFAOYSA-N 1 2 378.476 3.200 20 10 GGCDLO COc1c(O)c(C[N@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278207330 1435369713 /nfs/dbraw/zinc/36/97/13/1435369713.db2.gz JRBIKCDOSAQJCE-UHFFFAOYSA-N 1 2 387.436 3.305 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)CC(=O)Nc2c(C)cc(C)cc2C)ccc1[N+](=O)[O-] ZINC000278207330 1435369716 /nfs/dbraw/zinc/36/97/16/1435369716.db2.gz JRBIKCDOSAQJCE-UHFFFAOYSA-N 1 2 387.436 3.305 20 10 GGCDLO COc1c(O)c(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314548 1435379117 /nfs/dbraw/zinc/37/91/17/1435379117.db2.gz XELPRHIYBLYVGF-QDXKXIGTSA-N 1 2 378.450 3.239 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314548 1435379119 /nfs/dbraw/zinc/37/91/19/1435379119.db2.gz XELPRHIYBLYVGF-QDXKXIGTSA-N 1 2 378.450 3.239 20 10 GGCDLO CN(C)c1ncnc(Cl)c1C[N@@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278538074 1435398269 /nfs/dbraw/zinc/39/82/69/1435398269.db2.gz GCBHEYKOPQYPTI-HNNXBMFYSA-N 1 2 376.888 3.083 20 10 GGCDLO CN(C)c1ncnc(Cl)c1C[N@H+](Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000278538074 1435398272 /nfs/dbraw/zinc/39/82/72/1435398272.db2.gz GCBHEYKOPQYPTI-HNNXBMFYSA-N 1 2 376.888 3.083 20 10 GGCDLO C[C@H](c1cccc(NC(=O)N[C@@H](C)Cc2ccc(O)c(O)c2)c1)[NH+]1CCOCC1 ZINC000281332764 1435804125 /nfs/dbraw/zinc/80/41/25/1435804125.db2.gz JSZHSFBWFJJSQD-JKSUJKDBSA-N 1 2 399.491 3.244 20 10 GGCDLO COc1c(O)c(CN[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)ccc1[N+](=O)[O-] ZINC000282817796 1435861430 /nfs/dbraw/zinc/86/14/30/1435861430.db2.gz AMVIGNPHAPVQCV-HNNXBMFYSA-N 1 2 379.844 3.355 20 10 GGCDLO C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255925 994519003 /nfs/dbraw/zinc/51/90/03/994519003.db2.gz FKGQRWALDZDBID-VQIMIIECSA-N 1 2 384.476 3.032 20 10 GGCDLO C[C@@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255925 994519011 /nfs/dbraw/zinc/51/90/11/994519011.db2.gz FKGQRWALDZDBID-VQIMIIECSA-N 1 2 384.476 3.032 20 10 GGCDLO Cc1ccc(C)c(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000096930801 206301439 /nfs/dbraw/zinc/30/14/39/206301439.db2.gz DKGGRMRXSMPEQQ-GHRIWEEISA-N 1 2 376.547 3.227 20 10 GGCDLO Cc1ccc(S(=O)(=O)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)cc1C ZINC000025139409 207302014 /nfs/dbraw/zinc/30/20/14/207302014.db2.gz VEOFWKHJCLYLSJ-UHFFFAOYSA-N 1 2 388.533 3.132 20 10 GGCDLO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131038160 564699598 /nfs/dbraw/zinc/69/95/98/564699598.db2.gz AQELRGZKUSFZKO-CVJBHZAOSA-N 1 2 399.148 3.116 20 10 GGCDLO C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131038160 564699600 /nfs/dbraw/zinc/69/96/00/564699600.db2.gz AQELRGZKUSFZKO-CVJBHZAOSA-N 1 2 399.148 3.116 20 10 GGCDLO CC[C@H]([NH2+][C@H]1CCN(c2cnn(C)c2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000156613961 565097439 /nfs/dbraw/zinc/09/74/39/565097439.db2.gz KFDYIKCTMOZUMB-KBPBESRZSA-N 1 2 383.279 3.279 20 10 GGCDLO CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156723230 565102720 /nfs/dbraw/zinc/10/27/20/565102720.db2.gz ZUKYLFWMYTXFCT-GWCFXTLKSA-N 1 2 385.295 3.493 20 10 GGCDLO CN(C)c1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1 ZINC000369705434 565107396 /nfs/dbraw/zinc/10/73/96/565107396.db2.gz XXYJOEJUCYHQEW-UHFFFAOYSA-N 1 2 396.354 3.455 20 10 GGCDLO Cc1nnsc1C[NH2+]Cc1cc(Br)cc(Br)c1O ZINC000292861158 565138649 /nfs/dbraw/zinc/13/86/49/565138649.db2.gz VIPAUSZFKLSMFT-UHFFFAOYSA-N 1 2 393.104 3.367 20 10 GGCDLO CCCNC(=O)CN1CCC([NH2+][C@@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000185007288 565171635 /nfs/dbraw/zinc/17/16/35/565171635.db2.gz LCAUGXASXIMENN-LBPRGKRZSA-N 1 2 388.339 3.340 20 10 GGCDLO COCCOCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000185136711 565179859 /nfs/dbraw/zinc/17/98/59/565179859.db2.gz BITLQCBWXOLZNA-VIFPVBQESA-N 1 2 397.107 3.231 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293944365 565192038 /nfs/dbraw/zinc/19/20/38/565192038.db2.gz IGYCKGVIRHPPOZ-NSHDSACASA-N 1 2 379.092 3.264 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293944365 565192042 /nfs/dbraw/zinc/19/20/42/565192042.db2.gz IGYCKGVIRHPPOZ-NSHDSACASA-N 1 2 379.092 3.264 20 10 GGCDLO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000186540391 565267200 /nfs/dbraw/zinc/26/72/00/565267200.db2.gz ZEAAZMPOZJBPNQ-PUERIAAYSA-N 1 2 399.148 3.335 20 10 GGCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000271785374 565268661 /nfs/dbraw/zinc/26/86/61/565268661.db2.gz FOTDERLKXTXPGV-RKDXNWHRSA-N 1 2 379.092 3.432 20 10 GGCDLO COC[C@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000273401014 565320104 /nfs/dbraw/zinc/32/01/04/565320104.db2.gz GHCFTJVYMBJZTR-SCZZXKLOSA-N 1 2 397.107 3.229 20 10 GGCDLO CCOC(=O)C1([S@](C)=O)CC[NH+]([C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000296556010 565322991 /nfs/dbraw/zinc/32/29/91/565322991.db2.gz RUVKMEDUXLSHPP-MQNRADLISA-N 1 2 387.929 3.273 20 10 GGCDLO O=C(NCc1cc(Cl)cc(Cl)c1O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000376253872 565428679 /nfs/dbraw/zinc/42/86/79/565428679.db2.gz ZRADILLIEHGSGS-CYBMUJFWSA-N 1 2 381.263 3.172 20 10 GGCDLO COc1ccc(O)c([C@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000301189604 565470493 /nfs/dbraw/zinc/47/04/93/565470493.db2.gz LATLTXXJOXFELF-QMMMGPOBSA-N 1 2 378.230 3.013 20 10 GGCDLO COc1ccc(O)c([C@@H](C)Nc2[nH+]cnc3c2c(Br)nn3C)c1 ZINC000301189603 565470599 /nfs/dbraw/zinc/47/05/99/565470599.db2.gz LATLTXXJOXFELF-MRVPVSSYSA-N 1 2 378.230 3.013 20 10 GGCDLO C[C@@H]([NH2+]Cc1ccc(S(C)(=O)=O)c(Cl)c1)c1cc([N+](=O)[O-])ccc1O ZINC000277169650 565479952 /nfs/dbraw/zinc/47/99/52/565479952.db2.gz RTVDGPCLSSWKIR-SNVBAGLBSA-N 1 2 384.841 3.208 20 10 GGCDLO NC(=O)c1ccccc1N1CC[C@@H]([NH2+]Cc2cc(Cl)cc(Cl)c2O)C1 ZINC000377651378 565491651 /nfs/dbraw/zinc/49/16/51/565491651.db2.gz ZPUCLTGFMPIJCT-CYBMUJFWSA-N 1 2 380.275 3.166 20 10 GGCDLO COc1cc(Br)cc(C[N@@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191737963 565627564 /nfs/dbraw/zinc/62/75/64/565627564.db2.gz ZUHKXYAARBLANI-AWEZNQCLSA-N 1 2 398.326 3.187 20 10 GGCDLO COc1cc(Br)cc(C[N@H+]2CCSC[C@H]2c2cnn(C)c2)c1O ZINC000191737963 565627567 /nfs/dbraw/zinc/62/75/67/565627567.db2.gz ZUHKXYAARBLANI-AWEZNQCLSA-N 1 2 398.326 3.187 20 10 GGCDLO O=S(=O)(C1CC[NH+](Cc2cc(Cl)cc(Cl)c2O)CC1)N1CCCC1 ZINC000282837894 565799428 /nfs/dbraw/zinc/79/94/28/565799428.db2.gz VIQSDISNEDQBSG-UHFFFAOYSA-N 1 2 393.336 3.089 20 10 GGCDLO O=C1/C(=C/c2cc(Cl)cs2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000195220371 565867141 /nfs/dbraw/zinc/86/71/41/565867141.db2.gz QALOCNWJWKBFIS-LCYFTJDESA-N 1 2 388.967 3.325 20 10 GGCDLO CC[C@@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1O ZINC000286858553 565983694 /nfs/dbraw/zinc/98/36/94/565983694.db2.gz ADERXDWZROPUNW-QGZVFWFLSA-N 1 2 383.897 3.053 20 10 GGCDLO CC[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)c1cccc(Cl)c1O ZINC000286858552 565983875 /nfs/dbraw/zinc/98/38/75/565983875.db2.gz ADERXDWZROPUNW-KRWDZBQOSA-N 1 2 383.897 3.053 20 10 GGCDLO OCC1CC[NH+](Cc2cc(Br)cc(Br)c2O)CC1 ZINC000179668509 565999290 /nfs/dbraw/zinc/99/92/90/565999290.db2.gz SUMZTVDQNVNGGS-UHFFFAOYSA-N 1 2 379.092 3.122 20 10 GGCDLO CC[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cc(Cl)cc(Cl)c1O ZINC000287270115 566008024 /nfs/dbraw/zinc/00/80/24/566008024.db2.gz AXSUNYALSYEFGP-IINYFYTJSA-N 1 2 381.325 3.021 20 10 GGCDLO CC[C@@H]([NH2+]C[C@](O)(c1nccn1C)C(F)(F)F)c1cccc(Cl)c1O ZINC000287265531 566008030 /nfs/dbraw/zinc/00/80/30/566008030.db2.gz AQTCZWUFIULSRU-DOMZBBRYSA-N 1 2 377.794 3.270 20 10 GGCDLO C[C@@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1O ZINC000363858970 566024582 /nfs/dbraw/zinc/02/45/82/566024582.db2.gz RXDBHCUOWJCNNT-BMIGLBTASA-N 1 2 398.276 3.211 20 10 GGCDLO C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1O ZINC000363858984 566024923 /nfs/dbraw/zinc/02/49/23/566024923.db2.gz RXDBHCUOWJCNNT-MEBBXXQBSA-N 1 2 398.276 3.211 20 10 GGCDLO CC[C@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1O ZINC000287745557 566037119 /nfs/dbraw/zinc/03/71/19/566037119.db2.gz PYIZCTGEUVQFIG-RISCZKNCSA-N 1 2 385.295 3.493 20 10 GGCDLO C[N@@H+](Cc1cc(Br)cc(Br)c1O)C[C@H]1CCOC1 ZINC000180623798 566078040 /nfs/dbraw/zinc/07/80/40/566078040.db2.gz DHILVDUBTCQAFP-SECBINFHSA-N 1 2 379.092 3.386 20 10 GGCDLO C[N@H+](Cc1cc(Br)cc(Br)c1O)C[C@H]1CCOC1 ZINC000180623798 566078042 /nfs/dbraw/zinc/07/80/42/566078042.db2.gz DHILVDUBTCQAFP-SECBINFHSA-N 1 2 379.092 3.386 20 10 GGCDLO CN1C(=O)/C(=C\c2[nH+]ccn2CC(F)(F)F)c2cc(Br)cnc21 ZINC000366427638 566151840 /nfs/dbraw/zinc/15/18/40/566151840.db2.gz HILPHRNIYLJMIC-YHYXMXQVSA-N 1 2 387.159 3.120 20 10 GGCDLO Oc1ccc(F)cc1C[NH+]1CCC(O)(c2scnc2Br)CC1 ZINC000366777819 566170266 /nfs/dbraw/zinc/17/02/66/566170266.db2.gz OOMKGJPCAPGCQS-UHFFFAOYSA-N 1 2 387.274 3.234 20 10 GGCDLO CC[N@H+](Cc1coc(S(C)(=O)=O)c1)Cc1cc(Br)ccc1O ZINC000528393110 567418757 /nfs/dbraw/zinc/41/87/57/567418757.db2.gz IOJDRQICOGYWCL-UHFFFAOYSA-N 1 2 388.283 3.173 20 10 GGCDLO CC[N@@H+](Cc1coc(S(C)(=O)=O)c1)Cc1cc(Br)ccc1O ZINC000528393110 567418761 /nfs/dbraw/zinc/41/87/61/567418761.db2.gz IOJDRQICOGYWCL-UHFFFAOYSA-N 1 2 388.283 3.173 20 10 GGCDLO C[N@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000048236888 570222547 /nfs/dbraw/zinc/22/25/47/570222547.db2.gz UFZANZGAUNREKL-UHFFFAOYSA-N 1 2 378.476 3.129 20 10 GGCDLO C[N@@H+](Cc1nc(Cc2ccccc2)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000048236888 570222550 /nfs/dbraw/zinc/22/25/50/570222550.db2.gz UFZANZGAUNREKL-UHFFFAOYSA-N 1 2 378.476 3.129 20 10 GGCDLO COc1ccc(N2CCC[N@H+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 ZINC000053774025 1406508110 /nfs/dbraw/zinc/50/81/10/1406508110.db2.gz KADKMTRKIGWWPA-UHFFFAOYSA-N 1 2 398.894 3.297 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](Cc3nc4ccc(Cl)cc4c(=O)[nH]3)CC2)cc1 ZINC000053774025 1406508115 /nfs/dbraw/zinc/50/81/15/1406508115.db2.gz KADKMTRKIGWWPA-UHFFFAOYSA-N 1 2 398.894 3.297 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000007250721 1398640448 /nfs/dbraw/zinc/64/04/48/1398640448.db2.gz SYCGWHILWRLZFH-LJQANCHMSA-N 1 2 387.549 3.112 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)cc1 ZINC000007250721 1398640454 /nfs/dbraw/zinc/64/04/54/1398640454.db2.gz SYCGWHILWRLZFH-LJQANCHMSA-N 1 2 387.549 3.112 20 10 GGCDLO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980298 1399706072 /nfs/dbraw/zinc/70/60/72/1399706072.db2.gz HLXBEGGMECOHCM-AOMKIAJQSA-N 1 2 386.540 3.279 20 10 GGCDLO C[C@@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980298 1399706081 /nfs/dbraw/zinc/70/60/81/1399706081.db2.gz HLXBEGGMECOHCM-AOMKIAJQSA-N 1 2 386.540 3.279 20 10 GGCDLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980294 1399706676 /nfs/dbraw/zinc/70/66/76/1399706676.db2.gz HLXBEGGMECOHCM-ZHRRBRCNSA-N 1 2 386.540 3.279 20 10 GGCDLO C[C@H]1C[C@@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980294 1399706702 /nfs/dbraw/zinc/70/67/02/1399706702.db2.gz HLXBEGGMECOHCM-ZHRRBRCNSA-N 1 2 386.540 3.279 20 10 GGCDLO Cc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c(C)c1 ZINC000028836152 1400200979 /nfs/dbraw/zinc/20/09/79/1400200979.db2.gz DPWOMBLJYIFSRX-LGMDPLHJSA-N 1 2 376.547 3.227 20 10 GGCDLO O=C1/C(=C/c2cccc(Cl)c2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000028836204 1400201014 /nfs/dbraw/zinc/20/10/14/1400201014.db2.gz UNRKKADZNGACJT-QINSGFPZSA-N 1 2 382.938 3.264 20 10 GGCDLO CC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc4c(c3)CCC4)c2C)CC1 ZINC000050991761 1405697254 /nfs/dbraw/zinc/69/72/54/1405697254.db2.gz JDXJZNSQGRFAQF-UHFFFAOYSA-N 1 2 393.531 3.366 20 10 GGCDLO COc1ccc(N2CCCN(C(=O)NCc3[nH+]cc(C)c(OC)c3C)CC2)cc1 ZINC000051334427 1405788556 /nfs/dbraw/zinc/78/85/56/1405788556.db2.gz IBKCDFKBEHIDLA-UHFFFAOYSA-N 1 2 398.507 3.138 20 10 GGCDLO COc1ccccc1C[N@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000052183112 1405973176 /nfs/dbraw/zinc/97/31/76/1405973176.db2.gz IYGSGJTXIMKELJ-UHFFFAOYSA-N 1 2 381.520 3.384 20 10 GGCDLO COc1ccccc1C[N@@H+](CC(=O)N(C)Cc1ccc(N(C)C)cc1)C1CC1 ZINC000052183112 1405973190 /nfs/dbraw/zinc/97/31/90/1405973190.db2.gz IYGSGJTXIMKELJ-UHFFFAOYSA-N 1 2 381.520 3.384 20 10 GGCDLO CN1CCCc2cc(CNC(=O)NCc3cc[nH+]c(N4CCCC4)c3)ccc21 ZINC000058558335 1407844161 /nfs/dbraw/zinc/84/41/61/1407844161.db2.gz DQRPNFHMXQDDMN-UHFFFAOYSA-N 1 2 379.508 3.064 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000066313660 1408810039 /nfs/dbraw/zinc/81/00/39/1408810039.db2.gz LVTZRURTYISOCI-MOPGFXCFSA-N 1 2 381.520 3.126 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)N2CCN(c3cccc[nH+]3)CC2)cc1F ZINC000066927041 1408954078 /nfs/dbraw/zinc/95/40/78/1408954078.db2.gz WQEXZLIJNGPZGP-UHFFFAOYSA-N 1 2 385.487 3.099 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000068678630 1409466623 /nfs/dbraw/zinc/46/66/23/1409466623.db2.gz JWCDNLIMBGUZGB-INIZCTEOSA-N 1 2 387.911 3.348 20 10 GGCDLO COC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000070975633 1409809009 /nfs/dbraw/zinc/80/90/09/1409809009.db2.gz GMNVPLPCFHRKRB-UHFFFAOYSA-N 1 2 394.427 3.413 20 10 GGCDLO COC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccco2)Cc2ccccc2O)c1 ZINC000070975633 1409809012 /nfs/dbraw/zinc/80/90/12/1409809012.db2.gz GMNVPLPCFHRKRB-UHFFFAOYSA-N 1 2 394.427 3.413 20 10 GGCDLO O=C(c1ccc(O)cc1)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091810880 1410082428 /nfs/dbraw/zinc/08/24/28/1410082428.db2.gz RBNZUJVMYPEJHI-UHFFFAOYSA-N 1 2 379.504 3.341 20 10 GGCDLO O=C(c1ccccc1O)N1CC[NH+](Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000091923337 1410093006 /nfs/dbraw/zinc/09/30/06/1410093006.db2.gz QXXHMSGSZOEIGP-UHFFFAOYSA-N 1 2 379.504 3.341 20 10 GGCDLO Oc1cccc(C[NH+]2CCN(Cc3cc(Br)ccc3O)CC2)c1 ZINC000092789460 1410201480 /nfs/dbraw/zinc/20/14/80/1410201480.db2.gz CCVPICHZCRZMTO-UHFFFAOYSA-N 1 2 377.282 3.178 20 10 GGCDLO C[C@@H](c1cccnc1)[NH+]1CCN(Cc2cc(Br)ccc2O)CC1 ZINC000093413078 1410243900 /nfs/dbraw/zinc/24/39/00/1410243900.db2.gz DPOKLRCESLFORI-AWEZNQCLSA-N 1 2 376.298 3.429 20 10 GGCDLO Oc1ccc(Br)cc1C[NH+]1CCN(CC(F)(F)C(F)F)CC1 ZINC000093416408 1410244557 /nfs/dbraw/zinc/24/45/57/1410244557.db2.gz RZAXLBNSGXSTLM-UHFFFAOYSA-N 1 2 385.199 3.173 20 10 GGCDLO CC(=O)N(C)C1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000103470186 1410861257 /nfs/dbraw/zinc/86/12/57/1410861257.db2.gz DNIOTSNXAJHRMY-UHFFFAOYSA-N 1 2 385.483 3.359 20 10 GGCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c1 ZINC000103514230 1410865476 /nfs/dbraw/zinc/86/54/76/1410865476.db2.gz LMEVZUZAAJYZAE-CYBMUJFWSA-N 1 2 384.411 3.286 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(N3CCCC3=O)CC2)c(C)n1-c1ccccc1 ZINC000104729044 1410947018 /nfs/dbraw/zinc/94/70/18/1410947018.db2.gz UFOABRPYHLYBSW-UHFFFAOYSA-N 1 2 379.504 3.364 20 10 GGCDLO C[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccc(N2CCOCC2)cc1 ZINC000105194138 1411040717 /nfs/dbraw/zinc/04/07/17/1411040717.db2.gz YEHSLHCWWVTRCV-GOSISDBHSA-N 1 2 397.523 3.171 20 10 GGCDLO CCOCC[NH+]1CCN(CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000106106145 1411169031 /nfs/dbraw/zinc/16/90/31/1411169031.db2.gz YIJHTRXOSFEFQB-UHFFFAOYSA-N 1 2 387.499 3.070 20 10 GGCDLO C[N@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccccc1O ZINC000109773728 1411809449 /nfs/dbraw/zinc/80/94/49/1411809449.db2.gz DVEFAMCLDQRIEJ-UHFFFAOYSA-N 1 2 378.354 3.358 20 10 GGCDLO C[N@@H+](CC(=O)Nc1ccc2nc(C(F)(F)F)[nH]c2c1)Cc1ccccc1O ZINC000109773728 1411809450 /nfs/dbraw/zinc/80/94/50/1411809450.db2.gz DVEFAMCLDQRIEJ-UHFFFAOYSA-N 1 2 378.354 3.358 20 10 GGCDLO OC1CCN(c2ccc(CNc3cc(N4CCCCC4)nc[nH+]3)cc2F)CC1 ZINC000110243165 1411839704 /nfs/dbraw/zinc/83/97/04/1411839704.db2.gz SIADISVONMIYRA-UHFFFAOYSA-N 1 2 385.487 3.179 20 10 GGCDLO OC1CCN(c2ccc(CNc3cc(N4CCCCC4)[nH+]cn3)cc2F)CC1 ZINC000110243165 1411839705 /nfs/dbraw/zinc/83/97/05/1411839705.db2.gz SIADISVONMIYRA-UHFFFAOYSA-N 1 2 385.487 3.179 20 10 GGCDLO Oc1c(Br)cccc1C[NH2+]CC1(N2CCCCC2)CCOCC1 ZINC000111403473 1411944298 /nfs/dbraw/zinc/94/42/98/1411944298.db2.gz YCUOPRSLKLRXNA-UHFFFAOYSA-N 1 2 383.330 3.279 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000177199312 1428627650 /nfs/dbraw/zinc/62/76/50/1428627650.db2.gz IUGQWTNSNWTNEZ-CQSZACIVSA-N 1 2 390.827 3.238 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[N@H+]2CC[C@@H](Nc3ccc([N+](=O)[O-])cn3)C2)c1O ZINC000177199312 1428627657 /nfs/dbraw/zinc/62/76/57/1428627657.db2.gz IUGQWTNSNWTNEZ-CQSZACIVSA-N 1 2 390.827 3.238 20 10 GGCDLO Cc1cc(C(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)c(C)n1-c1ccccn1 ZINC000114706436 1412506789 /nfs/dbraw/zinc/50/67/89/1412506789.db2.gz SLYDNPRRGVLVLW-SFHVURJKSA-N 1 2 389.503 3.403 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000177262420 1428660084 /nfs/dbraw/zinc/66/00/84/1428660084.db2.gz AQNPQKVQVVROPI-UHFFFAOYSA-N 1 2 376.453 3.144 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)c1O ZINC000177262420 1428660094 /nfs/dbraw/zinc/66/00/94/1428660094.db2.gz AQNPQKVQVVROPI-UHFFFAOYSA-N 1 2 376.453 3.144 20 10 GGCDLO Cc1cc(N(C)C)ccc1CNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000115667418 1412753636 /nfs/dbraw/zinc/75/36/36/1412753636.db2.gz DYRWQYNOTANORA-UHFFFAOYSA-N 1 2 381.455 3.385 20 10 GGCDLO CCc1nsc(N2CCC[N@H+](Cc3cc(Cl)cc(C(C)=O)c3O)CC2)n1 ZINC000177360361 1428704126 /nfs/dbraw/zinc/70/41/26/1428704126.db2.gz WQABIMRSDWBAGB-UHFFFAOYSA-N 1 2 394.928 3.374 20 10 GGCDLO CCc1nsc(N2CCC[N@@H+](Cc3cc(Cl)cc(C(C)=O)c3O)CC2)n1 ZINC000177360361 1428704132 /nfs/dbraw/zinc/70/41/32/1428704132.db2.gz WQABIMRSDWBAGB-UHFFFAOYSA-N 1 2 394.928 3.374 20 10 GGCDLO Cc1cccc(C)c1NC(=O)CN1CC[NH+](Cc2c(O)cccc2Cl)CC1 ZINC000119414984 1413439691 /nfs/dbraw/zinc/43/96/91/1413439691.db2.gz VNWOQYKIOIYJRE-UHFFFAOYSA-N 1 2 387.911 3.419 20 10 GGCDLO Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)n1-c1ccccn1 ZINC000119625596 1413508062 /nfs/dbraw/zinc/50/80/62/1413508062.db2.gz ZZDUTNSVBJKILS-SFHVURJKSA-N 1 2 377.492 3.318 20 10 GGCDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3c(O)cccc3Cl)CC2)cc1 ZINC000120383125 1413806579 /nfs/dbraw/zinc/80/65/79/1413806579.db2.gz YAPRMLORJDQTJE-UHFFFAOYSA-N 1 2 388.895 3.331 20 10 GGCDLO CC1CCN(c2ccc(CNC(=O)N[C@@H]3CCN(c4cccc[nH+]4)C3)cc2)CC1 ZINC000120436384 1413817446 /nfs/dbraw/zinc/81/74/46/1413817446.db2.gz FAVVXYSAASCFAT-HXUWFJFHSA-N 1 2 393.535 3.396 20 10 GGCDLO COc1cc(Br)cc(C[NH+]2CCN(c3cc(C)ccn3)CC2)c1O ZINC000120889463 1413938709 /nfs/dbraw/zinc/93/87/09/1413938709.db2.gz ODOFKEOYFNFZLQ-UHFFFAOYSA-N 1 2 392.297 3.189 20 10 GGCDLO COc1ccc(N2CC[NH+](Cn3nc(C)c4ccc([N+](=O)[O-])cc43)CC2)cc1 ZINC000121056202 1413990852 /nfs/dbraw/zinc/99/08/52/1413990852.db2.gz ZQXJKJVKFMORKC-UHFFFAOYSA-N 1 2 381.436 3.041 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N(C)[C@H](C)c3ccccc3)CC2)cc1F ZINC000122020890 1414342088 /nfs/dbraw/zinc/34/20/88/1414342088.db2.gz XTSUYJINOKYXQV-QGZVFWFLSA-N 1 2 385.483 3.176 20 10 GGCDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(OC)ccc3O)c2C1 ZINC000178283634 1429041775 /nfs/dbraw/zinc/04/17/75/1429041775.db2.gz PIPAVZUKHHBUQZ-UHFFFAOYSA-N 1 2 391.471 3.257 20 10 GGCDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(OC)ccc3O)c2C1 ZINC000178283634 1429041781 /nfs/dbraw/zinc/04/17/81/1429041781.db2.gz PIPAVZUKHHBUQZ-UHFFFAOYSA-N 1 2 391.471 3.257 20 10 GGCDLO CN(C)c1ccc(C[N@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1F ZINC000130806913 1416456084 /nfs/dbraw/zinc/45/60/84/1416456084.db2.gz GQZOBSYUMNXVBT-UHFFFAOYSA-N 1 2 395.276 3.120 20 10 GGCDLO CN(C)c1ccc(C[N@@H+](C)CC(=O)Nc2ccc(Br)cn2)cc1F ZINC000130806913 1416456089 /nfs/dbraw/zinc/45/60/89/1416456089.db2.gz GQZOBSYUMNXVBT-UHFFFAOYSA-N 1 2 395.276 3.120 20 10 GGCDLO Cc1cc(C(=O)Nc2ccc(N3CCOCC3)[nH+]c2C)c(C)n1-c1ccccn1 ZINC000134664216 1417109203 /nfs/dbraw/zinc/10/92/03/1417109203.db2.gz RIUCKEIZJMKJOF-UHFFFAOYSA-N 1 2 391.475 3.281 20 10 GGCDLO C[C@H](NC(=O)c1cccc(Cn2cc[nH+]c2)c1)c1ccc(N2CCOCC2)cc1 ZINC000145703031 1417697816 /nfs/dbraw/zinc/69/78/16/1417697816.db2.gz KIMLFLAUCDPHFA-SFHVURJKSA-N 1 2 390.487 3.259 20 10 GGCDLO O=C1C[C@@H](C[NH2+]Cc2cccc(Br)c2O)CN1Cc1ccccc1 ZINC000179052899 1429251022 /nfs/dbraw/zinc/25/10/22/1429251022.db2.gz KVTPBPUDKOHVRI-HNNXBMFYSA-N 1 2 389.293 3.293 20 10 GGCDLO CN(C)c1ccc(C[NH+]2CCN(C(=O)c3ccccc3OC(F)F)CC2)cc1 ZINC000179932438 1429648961 /nfs/dbraw/zinc/64/89/61/1429648961.db2.gz AWSCUFDYLXUMFZ-UHFFFAOYSA-N 1 2 389.446 3.312 20 10 GGCDLO CCN(CC)c1ccc(CNC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000156046286 1423648259 /nfs/dbraw/zinc/64/82/59/1423648259.db2.gz YBVRKNXZWUPXEH-GOSISDBHSA-N 1 2 386.471 3.430 20 10 GGCDLO COc1cc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c(O)cc1C ZINC000160112447 1424575704 /nfs/dbraw/zinc/57/57/04/1424575704.db2.gz XVZSVGNAKSMPBH-UHFFFAOYSA-N 1 2 392.858 3.460 20 10 GGCDLO CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(O)cccc1Cl ZINC000160215656 1424588265 /nfs/dbraw/zinc/58/82/65/1424588265.db2.gz GDMUVKGJFLDQRY-UHFFFAOYSA-N 1 2 375.856 3.465 20 10 GGCDLO CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1c(O)cccc1Cl ZINC000160215656 1424588270 /nfs/dbraw/zinc/58/82/70/1424588270.db2.gz GDMUVKGJFLDQRY-UHFFFAOYSA-N 1 2 375.856 3.465 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)Nc3ccc(C)[nH+]c3N(C)C)CC2)cc1 ZINC000162244863 1424829996 /nfs/dbraw/zinc/82/99/96/1424829996.db2.gz LRUGYJPMBGTUQY-UHFFFAOYSA-N 1 2 383.496 3.255 20 10 GGCDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000172200511 1425943689 /nfs/dbraw/zinc/94/36/89/1425943689.db2.gz NQJWMKVNNDHACG-IBGZPJMESA-N 1 2 393.535 3.270 20 10 GGCDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N3CCCC3)cc2)CC1 ZINC000172200517 1425943811 /nfs/dbraw/zinc/94/38/11/1425943811.db2.gz NQJWMKVNNDHACG-LJQANCHMSA-N 1 2 393.535 3.270 20 10 GGCDLO C[C@@H](NC(=O)N(Cc1ccccc1O)C1CCCCC1)[C@H](C)[NH+]1CCOCC1 ZINC000174760884 1427353402 /nfs/dbraw/zinc/35/34/02/1427353402.db2.gz RFVAWZDESWDSLY-MSOLQXFVSA-N 1 2 389.540 3.346 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(NC(N)=O)CC2)c(C)n1-c1ccc(C)c(C)c1 ZINC000175759714 1427881664 /nfs/dbraw/zinc/88/16/64/1427881664.db2.gz UFPRRPQYDWDDBR-UHFFFAOYSA-N 1 2 382.508 3.026 20 10 GGCDLO O=C(NCc1ccc(-n2cc[nH+]c2)cc1)NCc1c(O)ccc2c1CCCC2 ZINC000175963801 1428001609 /nfs/dbraw/zinc/00/16/09/1428001609.db2.gz STNGJVBSLNQIMF-UHFFFAOYSA-N 1 2 376.460 3.456 20 10 GGCDLO COc1cc(OC)c(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)c(OC)c1 ZINC000180550882 1429895706 /nfs/dbraw/zinc/89/57/06/1429895706.db2.gz JSQUOUHUPOEPNT-UHFFFAOYSA-N 1 2 390.455 3.182 20 10 GGCDLO COc1ccc(N2CC[NH+](Cc3ccc(OC)c(OC)c3OC)CC2)cc1F ZINC000180550153 1429895766 /nfs/dbraw/zinc/89/57/66/1429895766.db2.gz PZXBKKQJUVXRAA-UHFFFAOYSA-N 1 2 390.455 3.182 20 10 GGCDLO COCOc1ccc(OC)cc1C[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000180551224 1429895971 /nfs/dbraw/zinc/89/59/71/1429895971.db2.gz AJJKYJUPYAVORY-UHFFFAOYSA-N 1 2 390.455 3.148 20 10 GGCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180711110 1429992453 /nfs/dbraw/zinc/99/24/53/1429992453.db2.gz MYNHVKHGPOIZEC-HKUYNNGSSA-N 1 2 392.293 3.479 20 10 GGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H]1C[C@H](O)c1ccccc1 ZINC000180711110 1429992462 /nfs/dbraw/zinc/99/24/62/1429992462.db2.gz MYNHVKHGPOIZEC-HKUYNNGSSA-N 1 2 392.293 3.479 20 10 GGCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180711092 1429992932 /nfs/dbraw/zinc/99/29/32/1429992932.db2.gz MYNHVKHGPOIZEC-PKOBYXMFSA-N 1 2 392.293 3.479 20 10 GGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000180711092 1429992938 /nfs/dbraw/zinc/99/29/38/1429992938.db2.gz MYNHVKHGPOIZEC-PKOBYXMFSA-N 1 2 392.293 3.479 20 10 GGCDLO COc1ccc(O)c(C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000181035973 1430179554 /nfs/dbraw/zinc/17/95/54/1430179554.db2.gz VDFXEUUURDPXTQ-FQEVSTJZSA-N 1 2 383.448 3.031 20 10 GGCDLO COc1ccccc1CC(=O)N1CCC([NH2+]Cc2cccc(Cl)c2O)CC1 ZINC000181731993 1430349570 /nfs/dbraw/zinc/34/95/70/1430349570.db2.gz KBGBPPVURYKJCO-UHFFFAOYSA-N 1 2 388.895 3.378 20 10 GGCDLO COCCc1noc(C[N@H+](C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000183090612 1430610711 /nfs/dbraw/zinc/61/07/11/1430610711.db2.gz SCPPCBZGOZDQOD-UHFFFAOYSA-N 1 2 383.448 3.175 20 10 GGCDLO COCCc1noc(C[N@@H+](C)Cc2ccc(OCc3ccccc3)cc2O)n1 ZINC000183090612 1430610714 /nfs/dbraw/zinc/61/07/14/1430610714.db2.gz SCPPCBZGOZDQOD-UHFFFAOYSA-N 1 2 383.448 3.175 20 10 GGCDLO Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)Cc3ccc(O)c(O)c3)cn2c1 ZINC000183474840 1430720942 /nfs/dbraw/zinc/72/09/42/1430720942.db2.gz RPADBGLJGSFLTA-CQSZACIVSA-N 1 2 385.489 3.035 20 10 GGCDLO COc1cc(N2CC[NH+](Cc3nc(C)c(C)s3)CC2)cc(OC)c1OC ZINC000183701244 1430776535 /nfs/dbraw/zinc/77/65/35/1430776535.db2.gz YFKXSYAKOHLNIF-UHFFFAOYSA-N 1 2 377.510 3.108 20 10 GGCDLO COc1cc(N2CC[NH+](Cc3cc(F)cc(F)c3)CC2)cc(OC)c1OC ZINC000184753708 1430966615 /nfs/dbraw/zinc/96/66/15/1430966615.db2.gz DSGUBSSDFZMQFA-UHFFFAOYSA-N 1 2 378.419 3.313 20 10 GGCDLO COCC1=CC[N@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000185843914 1431249444 /nfs/dbraw/zinc/24/94/44/1431249444.db2.gz OLJIDXNCJSWDBK-UHFFFAOYSA-N 1 2 396.487 3.327 20 10 GGCDLO COCC1=CC[N@@H+](CC(=O)c2cc(C)n(-c3ccc4c(c3)OCCO4)c2C)CC1 ZINC000185843914 1431249451 /nfs/dbraw/zinc/24/94/51/1431249451.db2.gz OLJIDXNCJSWDBK-UHFFFAOYSA-N 1 2 396.487 3.327 20 10 GGCDLO COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)c3ccc(F)c(F)c3O)C2=O)cc1 ZINC000187784893 1431812136 /nfs/dbraw/zinc/81/21/36/1431812136.db2.gz HQXSOGBLBGHDBL-YVEFUNNKSA-N 1 2 376.403 3.131 20 10 GGCDLO CCOc1ccc(O)c(C[NH2+][C@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000237087757 1433388473 /nfs/dbraw/zinc/38/84/73/1433388473.db2.gz XYFBYHZYYNDLAN-NRFANRHFSA-N 1 2 397.475 3.421 20 10 GGCDLO CCOc1ccc(O)c(C[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1 ZINC000237091981 1433388690 /nfs/dbraw/zinc/38/86/90/1433388690.db2.gz XYFBYHZYYNDLAN-OAQYLSRUSA-N 1 2 397.475 3.421 20 10 GGCDLO COc1cc(OC)cc([C@H]([NH2+]Cc2cccc(OC)c2O)c2nccn2C)c1 ZINC000237371889 1433399549 /nfs/dbraw/zinc/39/95/49/1433399549.db2.gz QPVUGDSPMDQGHF-IBGZPJMESA-N 1 2 383.448 3.031 20 10 GGCDLO CCN(Cc1ccccc1)c1ccc(C[N@@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000245746819 1433510514 /nfs/dbraw/zinc/51/05/14/1433510514.db2.gz MWYQYSSKEBUTDN-QHCPKHFHSA-N 1 2 381.520 3.050 20 10 GGCDLO CCN(Cc1ccccc1)c1ccc(C[N@H+]2CCO[C@@H](CNC(C)=O)C2)cc1 ZINC000245746819 1433510519 /nfs/dbraw/zinc/51/05/19/1433510519.db2.gz MWYQYSSKEBUTDN-QHCPKHFHSA-N 1 2 381.520 3.050 20 10 GGCDLO O=C(Nc1ccc(N=Nc2ccccc2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000255656940 1433887331 /nfs/dbraw/zinc/88/73/31/1433887331.db2.gz ODWAHDLXXKNBON-UHFFFAOYSA-N 1 2 377.448 3.347 20 10 GGCDLO COc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@@H](C)O[C@H](C)C2)c1O ZINC000264192812 1434080293 /nfs/dbraw/zinc/08/02/93/1434080293.db2.gz CFCJDYSDXBBOIO-HZPDHXFCSA-N 1 2 399.491 3.332 20 10 GGCDLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(/N=N/c2ccccc2)cc1 ZINC000267596702 1434448579 /nfs/dbraw/zinc/44/85/79/1434448579.db2.gz OJGCYBDBLPXQTD-TWMRLEJJSA-N 1 2 397.479 3.259 20 10 GGCDLO CN(C)c1ccc(CN(C(=O)N[C@@H]2CCN(c3cccc[nH+]3)C2)C2CC2)cc1 ZINC000269849842 1434681139 /nfs/dbraw/zinc/68/11/39/1434681139.db2.gz BLDIJNNQZVKHRB-GOSISDBHSA-N 1 2 379.508 3.101 20 10 GGCDLO CN(C)c1ccc(CN(C(=O)N[C@H]2CCN(c3cccc[nH+]3)C2)C2CC2)cc1 ZINC000269849844 1434681198 /nfs/dbraw/zinc/68/11/98/1434681198.db2.gz BLDIJNNQZVKHRB-SFHVURJKSA-N 1 2 379.508 3.101 20 10 GGCDLO Cc1cc(O)c(CNc2ccc(N3CCN(C(=O)C4CC4)CC3)[nH+]c2)cc1C ZINC000272304338 1434885715 /nfs/dbraw/zinc/88/57/15/1434885715.db2.gz XEAJZQYMPMRIDG-UHFFFAOYSA-N 1 2 380.492 3.075 20 10 GGCDLO COC(=O)c1ccc(O)c([C@H](C)[NH2+]Cc2nccn2CCc2ccccc2)c1 ZINC000273569593 1434997331 /nfs/dbraw/zinc/99/73/31/1434997331.db2.gz KKLBYHXXUXVKKJ-INIZCTEOSA-N 1 2 379.460 3.469 20 10 GGCDLO Cc1cc(C(=O)N[C@@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(C)n1-c1ccccc1 ZINC000276334150 1435205458 /nfs/dbraw/zinc/20/54/58/1435205458.db2.gz QABYLDIDXBWYLO-DYESRHJHSA-N 1 2 378.476 3.478 20 10 GGCDLO Cc1cc(C(=O)N[C@H]2CCO[C@@H](c3c[nH+]cn3C)C2)c(C)n1-c1ccccc1 ZINC000276334166 1435205510 /nfs/dbraw/zinc/20/55/10/1435205510.db2.gz QABYLDIDXBWYLO-LAUBAEHRSA-N 1 2 378.476 3.478 20 10 GGCDLO COc1c(O)c(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314546 1435379073 /nfs/dbraw/zinc/37/90/73/1435379073.db2.gz XELPRHIYBLYVGF-MZHQLVBMSA-N 1 2 378.450 3.239 20 10 GGCDLO COc1c(O)c(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)ccc1[N+](=O)[O-] ZINC000278314546 1435379076 /nfs/dbraw/zinc/37/90/76/1435379076.db2.gz XELPRHIYBLYVGF-MZHQLVBMSA-N 1 2 378.450 3.239 20 10 GGCDLO CC[NH+]1CCN(c2ccc(CN[C@@H](C)c3cc(C(=O)OC)co3)cc2F)CC1 ZINC000278886325 1435435670 /nfs/dbraw/zinc/43/56/70/1435435670.db2.gz YGQRLGWQMCYZMT-HNNXBMFYSA-N 1 2 389.471 3.198 20 10 GGCDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)sc1C ZINC000279667033 1435526245 /nfs/dbraw/zinc/52/62/45/1435526245.db2.gz MSCFUGJDCBCNCD-LBPRGKRZSA-N 1 2 376.434 3.010 20 10 GGCDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)sc1C ZINC000279667033 1435526252 /nfs/dbraw/zinc/52/62/52/1435526252.db2.gz MSCFUGJDCBCNCD-LBPRGKRZSA-N 1 2 376.434 3.010 20 10 GGCDLO COC(=O)c1nc([C@@H]2CCC[N@@H+]2Cc2cc(OC)c(OC)cc2O)sc1C ZINC000279723678 1435535412 /nfs/dbraw/zinc/53/54/12/1435535412.db2.gz UWVCHWSHSOYJEJ-ZDUSSCGKSA-N 1 2 392.477 3.298 20 10 GGCDLO COC(=O)c1nc([C@@H]2CCC[N@H+]2Cc2cc(OC)c(OC)cc2O)sc1C ZINC000279723678 1435535413 /nfs/dbraw/zinc/53/54/13/1435535413.db2.gz UWVCHWSHSOYJEJ-ZDUSSCGKSA-N 1 2 392.477 3.298 20 10 GGCDLO CN(C)c1ccc(C[NH2+][C@@H]2CS(=O)(=O)c3ccccc32)c(C(F)(F)F)c1 ZINC000280109663 1435594194 /nfs/dbraw/zinc/59/41/94/1435594194.db2.gz BVKLZUZUNGVPTR-MRXNPFEDSA-N 1 2 384.423 3.390 20 10 GGCDLO C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255923 994518737 /nfs/dbraw/zinc/51/87/37/994518737.db2.gz FKGQRWALDZDBID-QFBILLFUSA-N 1 2 384.476 3.032 20 10 GGCDLO C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255923 994518751 /nfs/dbraw/zinc/51/87/51/994518751.db2.gz FKGQRWALDZDBID-QFBILLFUSA-N 1 2 384.476 3.032 20 10 GGCDLO Cc1nc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)oc1C ZINC000093055722 564884092 /nfs/dbraw/zinc/88/40/92/564884092.db2.gz MMDBZSGGXMFUJH-UHFFFAOYSA-N 1 2 380.286 3.077 20 10 GGCDLO CC[C@@H]([NH2+][C@@H]1CCc2nc(COC)nn2C1)c1ccc(Cl)c(Cl)c1O ZINC000156723094 565102368 /nfs/dbraw/zinc/10/23/68/565102368.db2.gz ZUKYLFWMYTXFCT-ZWNOBZJWSA-N 1 2 385.295 3.493 20 10 GGCDLO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(Br)cc(Br)c1O ZINC000292830487 565136599 /nfs/dbraw/zinc/13/65/99/565136599.db2.gz RDUHZQHMXRBKKP-KWQFWETISA-N 1 2 379.092 3.262 20 10 GGCDLO C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(Br)cc(Br)c1O ZINC000292830487 565136605 /nfs/dbraw/zinc/13/66/05/565136605.db2.gz RDUHZQHMXRBKKP-KWQFWETISA-N 1 2 379.092 3.262 20 10 GGCDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000184702387 565152516 /nfs/dbraw/zinc/15/25/16/565152516.db2.gz XWVKFNDMYSXUEG-GJZGRUSLSA-N 1 2 383.897 3.440 20 10 GGCDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2cccs2)c1O ZINC000184702387 565152520 /nfs/dbraw/zinc/15/25/20/565152520.db2.gz XWVKFNDMYSXUEG-GJZGRUSLSA-N 1 2 383.897 3.440 20 10 GGCDLO CC(C)NC(=O)C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000184896020 565163728 /nfs/dbraw/zinc/16/37/28/565163728.db2.gz GJZKPCDGJJXRAJ-MRVPVSSYSA-N 1 2 394.107 3.092 20 10 GGCDLO CC(=O)NCCC[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000184921702 565166230 /nfs/dbraw/zinc/16/62/30/565166230.db2.gz SMRTZAQRAHNPJV-QMMMGPOBSA-N 1 2 394.107 3.094 20 10 GGCDLO C[C@@H]([NH2+]CCC(=O)N(C)C)c1cc(Br)cc(Br)c1O ZINC000185264526 565191859 /nfs/dbraw/zinc/19/18/59/565191859.db2.gz PWGLZCFFIVYFHO-MRVPVSSYSA-N 1 2 394.107 3.046 20 10 GGCDLO Cc1cc(C(=O)NC2CC[NH+](Cc3cc(Cl)cc(Cl)c3O)CC2)no1 ZINC000371412051 565192316 /nfs/dbraw/zinc/19/23/16/565192316.db2.gz SDUUAQPJIAFFMJ-UHFFFAOYSA-N 1 2 384.263 3.390 20 10 GGCDLO C[C@H]([NH2+][C@@H]1CCCN(c2ccn(C)n2)C1=O)c1ccc(Cl)c(Cl)c1O ZINC000186082515 565238318 /nfs/dbraw/zinc/23/83/18/565238318.db2.gz OARXYDFCKJUCDY-GXFFZTMASA-N 1 2 383.279 3.279 20 10 GGCDLO Cc1cc(N2CC[C@@H]([NH2+][C@@H](C)c3ccc(Cl)c(Cl)c3O)C2=O)n(C)n1 ZINC000186083683 565238558 /nfs/dbraw/zinc/23/85/58/565238558.db2.gz VCODXTAQFUWDHU-GXFFZTMASA-N 1 2 383.279 3.197 20 10 GGCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)c1cn[nH]c1 ZINC000271773344 565267754 /nfs/dbraw/zinc/26/77/54/565267754.db2.gz CAGHKOZWBNXNCX-SSDOTTSWSA-N 1 2 375.064 3.491 20 10 GGCDLO COC[C@H](C[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000273401016 565320186 /nfs/dbraw/zinc/32/01/86/565320186.db2.gz GHCFTJVYMBJZTR-WPRPVWTQSA-N 1 2 397.107 3.229 20 10 GGCDLO COC[C@@H](C[NH2+][C@H](C)c1cc(Br)cc(Br)c1O)OC ZINC000273401013 565320205 /nfs/dbraw/zinc/32/02/05/565320205.db2.gz GHCFTJVYMBJZTR-PSASIEDQSA-N 1 2 397.107 3.229 20 10 GGCDLO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(Br)cc(Br)c1O ZINC000273444094 565321136 /nfs/dbraw/zinc/32/11/36/565321136.db2.gz ZKFZAIGJZYKXEO-YUMQZZPRSA-N 1 2 394.107 3.092 20 10 GGCDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@@H](CC)c2cccc(Cl)c2O)CC1 ZINC000296556013 565323027 /nfs/dbraw/zinc/32/30/27/565323027.db2.gz RUVKMEDUXLSHPP-ODCWNRFASA-N 1 2 387.929 3.273 20 10 GGCDLO CCOC(=O)C1([S@@](C)=O)CC[NH+]([C@H](CC)c2cccc(Cl)c2O)CC1 ZINC000296556016 565323099 /nfs/dbraw/zinc/32/30/99/565323099.db2.gz RUVKMEDUXLSHPP-SGANQWHYSA-N 1 2 387.929 3.273 20 10 GGCDLO C[C@H]([NH2+]C[C@H]1CCC[C@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1O ZINC000375846891 565409445 /nfs/dbraw/zinc/40/94/45/565409445.db2.gz KRTWBMDPUQDKIC-GBNMTWHSSA-N 1 2 386.279 3.070 20 10 GGCDLO COCCN(C)c1ccc(/C=C2/SC(=S)N(CCCSC)C2=O)c[nH+]1 ZINC000276658862 565457014 /nfs/dbraw/zinc/45/70/14/565457014.db2.gz HBUWCGGLAIQBTF-SDNWHVSQSA-N 1 2 397.591 3.119 20 10 GGCDLO C[C@H]([NH2+][C@H]1CCCc2c1cnn2CCO)c1cc(Br)cc(F)c1O ZINC000363858982 566024745 /nfs/dbraw/zinc/02/47/45/566024745.db2.gz RXDBHCUOWJCNNT-BONVTDFDSA-N 1 2 398.276 3.211 20 10 GGCDLO CC[C@@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1O ZINC000287745564 566036693 /nfs/dbraw/zinc/03/66/93/566036693.db2.gz PYIZCTGEUVQFIG-SMDDNHRTSA-N 1 2 385.295 3.493 20 10 GGCDLO CC[C@H]([NH2+][C@H]1CCc2nc(COC)nn2C1)c1cc(Cl)cc(Cl)c1O ZINC000287745552 566037338 /nfs/dbraw/zinc/03/73/38/566037338.db2.gz PYIZCTGEUVQFIG-FZMZJTMJSA-N 1 2 385.295 3.493 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000180341104 566056182 /nfs/dbraw/zinc/05/61/82/566056182.db2.gz CBYBHFAJJGCNSL-SECBINFHSA-N 1 2 379.092 3.433 20 10 GGCDLO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865253 566093836 /nfs/dbraw/zinc/09/38/36/566093836.db2.gz XNUPCBHEOQDSFG-IUCAKERBSA-N 1 2 379.092 3.120 20 10 GGCDLO C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000180865253 566093842 /nfs/dbraw/zinc/09/38/42/566093842.db2.gz XNUPCBHEOQDSFG-IUCAKERBSA-N 1 2 379.092 3.120 20 10 GGCDLO CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000182195540 566189174 /nfs/dbraw/zinc/18/91/74/566189174.db2.gz RMAWGXZGARDIID-UHFFFAOYSA-N 1 2 382.913 3.163 20 10 GGCDLO COc1ccc([NH+]2CCC(NC(=O)C[C@H]3OCCc4ccccc43)CC2)cc1 ZINC000115056720 570274028 /nfs/dbraw/zinc/27/40/28/570274028.db2.gz AURKSZXIDKYDRX-JOCHJYFZSA-N 1 2 380.488 3.484 20 10 GGCDLO C[NH+]1CCN(C(=O)CSc2ncc(-c3ccccc3)n2Cc2ccco2)CC1 ZINC000192879157 570696405 /nfs/dbraw/zinc/69/64/05/570696405.db2.gz AQDNGBJPUJLJIV-UHFFFAOYSA-N 1 2 396.516 3.058 20 10 GGCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000008307712 1398821871 /nfs/dbraw/zinc/82/18/71/1398821871.db2.gz MDXQIIZYGGKQCS-UHFFFAOYSA-N 1 2 398.894 3.045 20 10 GGCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC000008307712 1398821873 /nfs/dbraw/zinc/82/18/73/1398821873.db2.gz MDXQIIZYGGKQCS-UHFFFAOYSA-N 1 2 398.894 3.045 20 10 GGCDLO O=C1/C(=C/c2ccc(Cl)s2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000011094507 1398949718 /nfs/dbraw/zinc/94/97/18/1398949718.db2.gz UVXYTNWDJLTKCV-BENRWUELSA-N 1 2 388.967 3.325 20 10 GGCDLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980288 1399705844 /nfs/dbraw/zinc/70/58/44/1399705844.db2.gz HLXBEGGMECOHCM-OPAMFIHVSA-N 1 2 386.540 3.279 20 10 GGCDLO C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(C[N@@H+](C)Cc1ccc(N(C)C)cc1)C2=O ZINC000024980288 1399705863 /nfs/dbraw/zinc/70/58/63/1399705863.db2.gz HLXBEGGMECOHCM-OPAMFIHVSA-N 1 2 386.540 3.279 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(Br)cc1 ZINC000026858563 1399942620 /nfs/dbraw/zinc/94/26/20/1399942620.db2.gz NNUPRNIRAGCLKW-UHFFFAOYSA-N 1 2 391.309 3.496 20 10 GGCDLO Cc1cc(O)c(C[NH+]2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)cc1C ZINC000028940911 1400214934 /nfs/dbraw/zinc/21/49/34/1400214934.db2.gz HUCXNKZNOUYRKO-UHFFFAOYSA-N 1 2 394.924 3.169 20 10 GGCDLO Cc1ccc(C)c(S(=O)(=O)N2CC[NH+](Cc3cc(C)c(C)cc3O)CC2)c1 ZINC000028940924 1400214952 /nfs/dbraw/zinc/21/49/52/1400214952.db2.gz RWKMSMUAUCTJIR-UHFFFAOYSA-N 1 2 388.533 3.132 20 10 GGCDLO C[C@@H]1C[C@@H]1c1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000028964645 1400217654 /nfs/dbraw/zinc/21/76/54/1400217654.db2.gz QDIIOKLKEZGIOB-KHWLQVBSSA-N 1 2 392.546 3.327 20 10 GGCDLO CSc1ccc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)cc1 ZINC000028964088 1400217739 /nfs/dbraw/zinc/21/77/39/1400217739.db2.gz GNZNQLCMXGQMCI-SSZFMOIBSA-N 1 2 394.587 3.332 20 10 GGCDLO O=C(NCc1ccc(N2CCCC2)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000048485647 1405202990 /nfs/dbraw/zinc/20/29/90/1405202990.db2.gz OSQZBLFXZRJUKT-UHFFFAOYSA-N 1 2 379.508 3.281 20 10 GGCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(NC(C)=O)CC3)c2C)cc1 ZINC000050991842 1405697144 /nfs/dbraw/zinc/69/71/44/1405697144.db2.gz LUQPAVWDQTWIIS-UHFFFAOYSA-N 1 2 397.519 3.276 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@@H](C)c3ccccc3Cl)CC2)cc1 ZINC000057548617 1407645842 /nfs/dbraw/zinc/64/58/42/1407645842.db2.gz WCCJRXSFQYYTMK-INIZCTEOSA-N 1 2 387.911 3.348 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@H](C)c3ccccc3Cl)CC2)cc1 ZINC000057548620 1407646352 /nfs/dbraw/zinc/64/63/52/1407646352.db2.gz WCCJRXSFQYYTMK-MRXNPFEDSA-N 1 2 387.911 3.348 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)Cc3cccc(F)c3)CC2)cc1 ZINC000057750171 1407708935 /nfs/dbraw/zinc/70/89/35/1407708935.db2.gz IRIHQLGEGKTNHB-KRWDZBQOSA-N 1 2 385.483 3.003 20 10 GGCDLO CN1CCCc2cc(CNC(=O)NCc3cccc(Cn4cc[nH+]c4)c3)ccc21 ZINC000058569740 1407845662 /nfs/dbraw/zinc/84/56/62/1407845662.db2.gz PSCLYTPEJWMVOO-UHFFFAOYSA-N 1 2 389.503 3.313 20 10 GGCDLO Cc1cc(C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176535387 1428354673 /nfs/dbraw/zinc/35/46/73/1428354673.db2.gz UUHHXYFPRBPWFE-SFHVURJKSA-N 1 2 382.552 3.077 20 10 GGCDLO COc1ccc(N2CC[NH+](CC(=O)N[C@H](C)c3ccc(Cl)cc3)CC2)cc1 ZINC000068678632 1409466841 /nfs/dbraw/zinc/46/68/41/1409466841.db2.gz JWCDNLIMBGUZGB-MRXNPFEDSA-N 1 2 387.911 3.348 20 10 GGCDLO CC(=O)c1cccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000070976095 1409809545 /nfs/dbraw/zinc/80/95/45/1409809545.db2.gz NIUUQRMWCGFCIS-FQEVSTJZSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1cccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)c1 ZINC000070976095 1409809546 /nfs/dbraw/zinc/80/95/46/1409809546.db2.gz NIUUQRMWCGFCIS-FQEVSTJZSA-N 1 2 382.460 3.215 20 10 GGCDLO C[N@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093012601 1410216481 /nfs/dbraw/zinc/21/64/81/1410216481.db2.gz HRBBHAJQPSWKRK-UHFFFAOYSA-N 1 2 393.409 3.011 20 10 GGCDLO C[N@@H+](CC(=O)Nc1cc(F)cc(F)c1)Cc1ccc(N2CCOCC2)c(F)c1 ZINC000093012601 1410216486 /nfs/dbraw/zinc/21/64/86/1410216486.db2.gz HRBBHAJQPSWKRK-UHFFFAOYSA-N 1 2 393.409 3.011 20 10 GGCDLO COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc(Br)c2O)c1 ZINC000093361524 1410239039 /nfs/dbraw/zinc/23/90/39/1410239039.db2.gz KAWAHHUTQCGSIX-UHFFFAOYSA-N 1 2 396.281 3.166 20 10 GGCDLO COc1ccc(OC)c(C[N@@H+](CCO)Cc2cccc(Br)c2O)c1 ZINC000093361524 1410239048 /nfs/dbraw/zinc/23/90/48/1410239048.db2.gz KAWAHHUTQCGSIX-UHFFFAOYSA-N 1 2 396.281 3.166 20 10 GGCDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970874 1410341504 /nfs/dbraw/zinc/34/15/04/1410341504.db2.gz WZMBIVBAXSAKMP-LPHOPBHVSA-N 1 2 399.491 3.392 20 10 GGCDLO C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970874 1410341510 /nfs/dbraw/zinc/34/15/10/1410341510.db2.gz WZMBIVBAXSAKMP-LPHOPBHVSA-N 1 2 399.491 3.392 20 10 GGCDLO COc1c(C)c[nH+]c(CNC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c1C ZINC000102001527 1410540632 /nfs/dbraw/zinc/54/06/32/1410540632.db2.gz RKWNPGZJCQRASP-KRWDZBQOSA-N 1 2 398.507 3.104 20 10 GGCDLO COc1ccc(O)c([C@@H](C)NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c1 ZINC000103510599 1410865085 /nfs/dbraw/zinc/86/50/85/1410865085.db2.gz PQQJEDARGRAOHV-OAHLLOKOSA-N 1 2 384.480 3.347 20 10 GGCDLO O=C(NCc1ccc(N2CCSCC2)cc1)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000108194791 1411451285 /nfs/dbraw/zinc/45/12/85/1411451285.db2.gz DDQPSBSISCFPRF-UHFFFAOYSA-N 1 2 392.528 3.415 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[NH+]2CCC(CC(=O)N3CCCC3)CC2)c1O ZINC000177256729 1428655437 /nfs/dbraw/zinc/65/54/37/1428655437.db2.gz QRVGFAFCGMORGQ-UHFFFAOYSA-N 1 2 378.900 3.473 20 10 GGCDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc3c(c2)CCCN3C)CC1 ZINC000114826997 1412534707 /nfs/dbraw/zinc/53/47/07/1412534707.db2.gz NQNDPIVBVCBGPG-SFHVURJKSA-N 1 2 393.535 3.052 20 10 GGCDLO CC(=O)c1ccc(N2CC[NH+](Cc3ccc(N4CCOCC4)cc3)CC2)c(F)c1 ZINC000121716151 1414233647 /nfs/dbraw/zinc/23/36/47/1414233647.db2.gz YNFYYJIJBADHNS-UHFFFAOYSA-N 1 2 397.494 3.187 20 10 GGCDLO Cc1sc2[nH]c(C[N@@H+](Cc3ccccc3O)C[C@H]3CCCO3)nc(=O)c2c1C ZINC000123473584 1414744416 /nfs/dbraw/zinc/74/44/16/1414744416.db2.gz HLZJJGQFQWVKRH-MRXNPFEDSA-N 1 2 399.516 3.488 20 10 GGCDLO Cc1sc2[nH]c(C[N@H+](Cc3ccccc3O)C[C@H]3CCCO3)nc(=O)c2c1C ZINC000123473584 1414744424 /nfs/dbraw/zinc/74/44/24/1414744424.db2.gz HLZJJGQFQWVKRH-MRXNPFEDSA-N 1 2 399.516 3.488 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(CC(N)=O)CC2)c(C)n1-c1ccc(C)c(F)c1 ZINC000124877807 1415065101 /nfs/dbraw/zinc/06/51/01/1415065101.db2.gz LLTKANPNDQEROH-UHFFFAOYSA-N 1 2 385.483 3.312 20 10 GGCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc[nH+]c(N2CCCC2)c1 ZINC000125238795 1415136907 /nfs/dbraw/zinc/13/69/07/1415136907.db2.gz LHSPSEDGCCBIHK-UHFFFAOYSA-N 1 2 377.492 3.057 20 10 GGCDLO O=C(NCc1ccc(N2CC=CC2)cc1)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000125557741 1415225806 /nfs/dbraw/zinc/22/58/06/1415225806.db2.gz CMAMFJSZIQLHMA-UHFFFAOYSA-N 1 2 391.519 3.448 20 10 GGCDLO Cn1cc[nH+]c1C[C@@H]1CCCN(C(=O)NCc2ccc(N3CCCC3)cc2)C1 ZINC000177947786 1428898268 /nfs/dbraw/zinc/89/82/68/1428898268.db2.gz LAPAIOLIIHRSKD-IBGZPJMESA-N 1 2 381.524 3.185 20 10 GGCDLO OCC1CCN(c2ccc(C[NH2+][C@@H](c3ncc[nH]3)c3ccccc3)cc2)CC1 ZINC000126147040 1415369932 /nfs/dbraw/zinc/36/99/32/1415369932.db2.gz YYDDLNYXJCZRGS-JOCHJYFZSA-N 1 2 376.504 3.498 20 10 GGCDLO O=S(=O)(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)c1ccccc1F ZINC000126586960 1415500436 /nfs/dbraw/zinc/50/04/36/1415500436.db2.gz DZLBJVCXBDYJMJ-UHFFFAOYSA-N 1 2 389.496 3.159 20 10 GGCDLO O=C(NCc1ccco1)[C@H]1CCC[N@H+]1Cc1cc(Br)ccc1O ZINC000128134409 1415921645 /nfs/dbraw/zinc/92/16/45/1415921645.db2.gz DJIINDWXJIJZET-OAHLLOKOSA-N 1 2 379.254 3.029 20 10 GGCDLO O=C(NCc1ccco1)[C@H]1CCC[N@@H+]1Cc1cc(Br)ccc1O ZINC000128134409 1415921650 /nfs/dbraw/zinc/92/16/50/1415921650.db2.gz DJIINDWXJIJZET-OAHLLOKOSA-N 1 2 379.254 3.029 20 10 GGCDLO CCN(CC)C(=O)C[N@@H+]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129220310 1416173217 /nfs/dbraw/zinc/17/32/17/1416173217.db2.gz MVSPRQQEMOUMJH-UHFFFAOYSA-N 1 2 386.584 3.053 20 10 GGCDLO CCN(CC)C(=O)C[N@H+]1CCCN(Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000129220310 1416173222 /nfs/dbraw/zinc/17/32/22/1416173222.db2.gz MVSPRQQEMOUMJH-UHFFFAOYSA-N 1 2 386.584 3.053 20 10 GGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130690973 1416425818 /nfs/dbraw/zinc/42/58/18/1416425818.db2.gz LGQBTFHEXCRVQH-UHFFFAOYSA-N 1 2 396.491 3.284 20 10 GGCDLO CN(C)c1ccc(CN(C)C(=O)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)cc1 ZINC000130690973 1416425822 /nfs/dbraw/zinc/42/58/22/1416425822.db2.gz LGQBTFHEXCRVQH-UHFFFAOYSA-N 1 2 396.491 3.284 20 10 GGCDLO COC(=O)C[N@H+](CCC(=O)N(C)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000135187744 1417183697 /nfs/dbraw/zinc/18/36/97/1417183697.db2.gz RLKMRFFTMHWFGJ-UHFFFAOYSA-N 1 2 390.867 3.074 20 10 GGCDLO COC(=O)C[N@@H+](CCC(=O)N(C)c1ccccc1)Cc1cc(Cl)ccc1O ZINC000135187744 1417183713 /nfs/dbraw/zinc/18/37/13/1417183713.db2.gz RLKMRFFTMHWFGJ-UHFFFAOYSA-N 1 2 390.867 3.074 20 10 GGCDLO C[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(N2CCOCC2)cc1 ZINC000148490469 1417764449 /nfs/dbraw/zinc/76/44/49/1417764449.db2.gz ZUFRPUGETZFRNM-QGZVFWFLSA-N 1 2 376.460 3.200 20 10 GGCDLO COC(=O)c1ccc(C[NH+]2CCN(c3ccc(OC)c(F)c3)CC2)cc1F ZINC000152203427 1418171901 /nfs/dbraw/zinc/17/19/01/1418171901.db2.gz KJBNWJGADOHMNS-UHFFFAOYSA-N 1 2 376.403 3.082 20 10 GGCDLO C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@@H]1n1cc[nH+]c1 ZINC000152421643 1422098692 /nfs/dbraw/zinc/09/86/92/1422098692.db2.gz LTTBVFOHKJZFBG-PXNSSMCTSA-N 1 2 399.564 3.229 20 10 GGCDLO C[C@H]1CCN(C(=O)NCc2ccc(N3CCSCC3)cc2)C[C@H]1n1cc[nH+]c1 ZINC000152421803 1422098757 /nfs/dbraw/zinc/09/87/57/1422098757.db2.gz LTTBVFOHKJZFBG-FXAWDEMLSA-N 1 2 399.564 3.229 20 10 GGCDLO COc1ccc(N2CC[NH+](C[C@@H](O)c3ccccc3Br)CC2)cc1 ZINC000152520489 1422129937 /nfs/dbraw/zinc/12/99/37/1422129937.db2.gz JLCBJOPDXZSFQK-LJQANCHMSA-N 1 2 391.309 3.313 20 10 GGCDLO O=C(NCCCSc1nccs1)NCc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000152784605 1422246887 /nfs/dbraw/zinc/24/68/87/1422246887.db2.gz KEFGIGOFEKLCRK-UHFFFAOYSA-N 1 2 391.497 3.450 20 10 GGCDLO C[C@H](NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1)c1ccc(N2CCOCC2)cc1 ZINC000152816140 1422258982 /nfs/dbraw/zinc/25/89/82/1422258982.db2.gz ZBWWEEZYNSBYIC-LVCYWYKZSA-N 1 2 397.523 3.073 20 10 GGCDLO O=C(N[C@H]1CCN(c2cccc[nH+]2)C1)N(Cc1ccco1)Cc1ccccc1O ZINC000153076431 1422348605 /nfs/dbraw/zinc/34/86/05/1422348605.db2.gz NMHYFDPEFSPUJF-SFHVURJKSA-N 1 2 392.459 3.371 20 10 GGCDLO COc1ccc(N2CCC(NC(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)CC2)cc1 ZINC000153118114 1422363377 /nfs/dbraw/zinc/36/33/77/1422363377.db2.gz ZCARFRKWKPLRSE-LAUBAEHRSA-N 1 2 397.523 3.153 20 10 GGCDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCCCSc2nccs2)CC1 ZINC000154588378 1422946513 /nfs/dbraw/zinc/94/65/13/1422946513.db2.gz ZRFXHIZRUCIJGS-OAHLLOKOSA-N 1 2 391.566 3.109 20 10 GGCDLO O=C(c1ccccc1OC(F)F)N1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179909121 1429635251 /nfs/dbraw/zinc/63/52/51/1429635251.db2.gz DIDDCBSHABNOMD-UHFFFAOYSA-N 1 2 380.366 3.091 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1OC ZINC000159734017 1424529172 /nfs/dbraw/zinc/52/91/72/1424529172.db2.gz ULJZGAQQXXTKQH-UHFFFAOYSA-N 1 2 390.867 3.021 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1OC ZINC000160090215 1424573389 /nfs/dbraw/zinc/57/33/89/1424573389.db2.gz ZKSORNRGIKEYFZ-UHFFFAOYSA-N 1 2 376.497 3.024 20 10 GGCDLO Cc1ccc(NC(=O)N[C@@H](C)c2ccc(N3CCOCC3)cc2)c(N(C)C)[nH+]1 ZINC000162167929 1424822430 /nfs/dbraw/zinc/82/24/30/1424822430.db2.gz HIDBWDUXTQJFLF-INIZCTEOSA-N 1 2 383.496 3.175 20 10 GGCDLO CN(C)c1ccc(CNC(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)cc1 ZINC000173233432 1426419552 /nfs/dbraw/zinc/41/95/52/1426419552.db2.gz BDBRISFWLFMSSG-UHFFFAOYSA-N 1 2 395.551 3.287 20 10 GGCDLO CC1(C)COCC[N@@H+]1CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174691575 1427311964 /nfs/dbraw/zinc/31/19/64/1427311964.db2.gz RLDJOECJGYFBNY-UHFFFAOYSA-N 1 2 389.540 3.347 20 10 GGCDLO CC1(C)COCC[N@H+]1CCNC(=O)N(Cc1ccccc1O)C1CCCCC1 ZINC000174691575 1427311969 /nfs/dbraw/zinc/31/19/69/1427311969.db2.gz RLDJOECJGYFBNY-UHFFFAOYSA-N 1 2 389.540 3.347 20 10 GGCDLO CNC(=O)CC1CC[NH+](CC(=O)c2cc(C)n(-c3cccc(F)c3)c2C)CC1 ZINC000175022094 1427503870 /nfs/dbraw/zinc/50/38/70/1427503870.db2.gz DCFZRJWRGKMDQB-UHFFFAOYSA-N 1 2 385.483 3.264 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000175577175 1427820033 /nfs/dbraw/zinc/82/00/33/1427820033.db2.gz OBNXRNJGMLDJHF-UHFFFAOYSA-N 1 2 388.414 3.221 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)c1O ZINC000175577175 1427820038 /nfs/dbraw/zinc/82/00/38/1427820038.db2.gz OBNXRNJGMLDJHF-UHFFFAOYSA-N 1 2 388.414 3.221 20 10 GGCDLO COc1ccc(N2CC[NH+](Cc3cc(OC)c(OC)cc3OC)CC2)cc1F ZINC000180550578 1429895606 /nfs/dbraw/zinc/89/56/06/1429895606.db2.gz FFKHARUQEJWGQJ-UHFFFAOYSA-N 1 2 390.455 3.182 20 10 GGCDLO Oc1ccc(Br)cc1C[N@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180711051 1429992601 /nfs/dbraw/zinc/99/26/01/1429992601.db2.gz MYNHVKHGPOIZEC-IEBWSBKVSA-N 1 2 392.293 3.479 20 10 GGCDLO Oc1ccc(Br)cc1C[N@@H+]1CCOC[C@H]1C[C@@H](O)c1ccccc1 ZINC000180711051 1429992609 /nfs/dbraw/zinc/99/26/09/1429992609.db2.gz MYNHVKHGPOIZEC-IEBWSBKVSA-N 1 2 392.293 3.479 20 10 GGCDLO COc1cc(N2CC[NH+](Cc3nc4ccccc4o3)CC2)cc(OC)c1OC ZINC000183702410 1430777001 /nfs/dbraw/zinc/77/70/01/1430777001.db2.gz XOLJWLHETRCUEC-UHFFFAOYSA-N 1 2 383.448 3.176 20 10 GGCDLO CC(=O)c1cc(F)cc(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)c1O ZINC000186504984 1431439757 /nfs/dbraw/zinc/43/97/57/1431439757.db2.gz OJHGDRGWHPTWNY-UHFFFAOYSA-N 1 2 379.378 3.496 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187730884 1431805045 /nfs/dbraw/zinc/80/50/45/1431805045.db2.gz VVKDIIAAQBLLRR-KRWDZBQOSA-N 1 2 388.533 3.372 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000187730884 1431805047 /nfs/dbraw/zinc/80/50/47/1431805047.db2.gz VVKDIIAAQBLLRR-KRWDZBQOSA-N 1 2 388.533 3.372 20 10 GGCDLO C[N@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000188943697 1432013607 /nfs/dbraw/zinc/01/36/07/1432013607.db2.gz VNVVSDPMXNSCTF-UHFFFAOYSA-N 1 2 382.439 3.344 20 10 GGCDLO C[N@@H+](Cc1nc(-c2ccccc2F)no1)Cc1ccc(N2CCOCC2)cc1 ZINC000188943697 1432013613 /nfs/dbraw/zinc/01/36/13/1432013613.db2.gz VNVVSDPMXNSCTF-UHFFFAOYSA-N 1 2 382.439 3.344 20 10 GGCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000192365787 1432837488 /nfs/dbraw/zinc/83/74/88/1432837488.db2.gz VVTIKZFCUNJHEJ-UHFFFAOYSA-N 1 2 375.492 3.272 20 10 GGCDLO CCOc1cccc(C[NH2+][C@@H](c2nccn2C)c2cc(OC)cc(OC)c2)c1O ZINC000236932812 1433383522 /nfs/dbraw/zinc/38/35/22/1433383522.db2.gz QGULYILBJGXWOP-HXUWFJFHSA-N 1 2 397.475 3.421 20 10 GGCDLO Nc1ccc(CC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000237912573 1433433763 /nfs/dbraw/zinc/43/37/63/1433433763.db2.gz SYPMAUPXGFBHMD-GOSISDBHSA-N 1 2 375.875 3.385 20 10 GGCDLO Nc1ccc(CC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000237912573 1433433767 /nfs/dbraw/zinc/43/37/67/1433433767.db2.gz SYPMAUPXGFBHMD-GOSISDBHSA-N 1 2 375.875 3.385 20 10 GGCDLO Nc1ccc(CC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000237915791 1433433969 /nfs/dbraw/zinc/43/39/69/1433433969.db2.gz SYPMAUPXGFBHMD-SFHVURJKSA-N 1 2 375.875 3.385 20 10 GGCDLO Nc1ccc(CC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)cc1 ZINC000237915791 1433433970 /nfs/dbraw/zinc/43/39/70/1433433970.db2.gz SYPMAUPXGFBHMD-SFHVURJKSA-N 1 2 375.875 3.385 20 10 GGCDLO CC[C@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000252019573 1433862509 /nfs/dbraw/zinc/86/25/09/1433862509.db2.gz XNIXSCXMHMWERC-FQEVSTJZSA-N 1 2 399.560 3.415 20 10 GGCDLO C[C@@H]1C[C@H]1c1ccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)o1 ZINC000255719049 1433888530 /nfs/dbraw/zinc/88/85/30/1433888530.db2.gz QDIIOKLKEZGIOB-OAOLAKKHSA-N 1 2 392.546 3.327 20 10 GGCDLO O=C1/C(=C\c2coc3ccccc23)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000255863077 1433890397 /nfs/dbraw/zinc/89/03/97/1433890397.db2.gz QJVYJBBESBFTDV-SFQUDFHCSA-N 1 2 388.514 3.356 20 10 GGCDLO COc1ccc(N2CCN(C(=O)c3cccc(Cn4cc[nH+]c4)c3)CC2)cc1F ZINC000268014289 1434487247 /nfs/dbraw/zinc/48/72/47/1434487247.db2.gz VOMYHCCPSMWWOD-UHFFFAOYSA-N 1 2 394.450 3.042 20 10 GGCDLO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000269392133 1434637106 /nfs/dbraw/zinc/63/71/06/1434637106.db2.gz AQZUMXYPHDMNMM-HNNXBMFYSA-N 1 2 390.505 3.035 20 10 GGCDLO CCC[N@@H+](Cc1ccccc1O)[C@@H](C)C(=O)Nc1ccccc1S(C)(=O)=O ZINC000269392133 1434637111 /nfs/dbraw/zinc/63/71/11/1434637111.db2.gz AQZUMXYPHDMNMM-HNNXBMFYSA-N 1 2 390.505 3.035 20 10 GGCDLO C[C@@H]([NH2+][C@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420055 1434823257 /nfs/dbraw/zinc/82/32/57/1434823257.db2.gz BPLSTSPGIPYZQW-FZKQIMNGSA-N 1 2 380.410 3.325 20 10 GGCDLO CCOC(=O)c1csc([C@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000276929115 1435243890 /nfs/dbraw/zinc/24/38/90/1435243890.db2.gz YZPPRXYEEMHWKZ-CYBMUJFWSA-N 1 2 376.434 3.091 20 10 GGCDLO CCOC(=O)c1csc([C@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000276929115 1435243891 /nfs/dbraw/zinc/24/38/91/1435243891.db2.gz YZPPRXYEEMHWKZ-CYBMUJFWSA-N 1 2 376.434 3.091 20 10 GGCDLO CC[NH+]1CCN(c2ccc(CN[C@H](C)c3cc(C(=O)OC)co3)cc2F)CC1 ZINC000278886331 1435435639 /nfs/dbraw/zinc/43/56/39/1435435639.db2.gz YGQRLGWQMCYZMT-OAHLLOKOSA-N 1 2 389.471 3.198 20 10 GGCDLO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932758 1435441422 /nfs/dbraw/zinc/44/14/22/1435441422.db2.gz WNPQVXUKCWCYJW-AWEZNQCLSA-N 1 2 391.493 3.372 20 10 GGCDLO COc1c([O-])c(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1[N+](=O)[O-] ZINC000278932758 1435441426 /nfs/dbraw/zinc/44/14/26/1435441426.db2.gz WNPQVXUKCWCYJW-AWEZNQCLSA-N 1 2 391.493 3.372 20 10 GGCDLO C[C@@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000279019664 1435452681 /nfs/dbraw/zinc/45/26/81/1435452681.db2.gz VQXZDELJDGTQNU-LLVKDONJSA-N 1 2 386.443 3.195 20 10 GGCDLO C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC000281332757 1435804177 /nfs/dbraw/zinc/80/41/77/1435804177.db2.gz JSZHSFBWFJJSQD-HOTGVXAUSA-N 1 2 399.491 3.244 20 10 GGCDLO C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255921 994518222 /nfs/dbraw/zinc/51/82/22/994518222.db2.gz FKGQRWALDZDBID-LPHOPBHVSA-N 1 2 384.476 3.032 20 10 GGCDLO C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)c1cc(C(=O)[O-])ccc1O ZINC001593255921 994518232 /nfs/dbraw/zinc/51/82/32/994518232.db2.gz FKGQRWALDZDBID-LPHOPBHVSA-N 1 2 384.476 3.032 20 10 GGCDLO O=C1/C(=C/c2cc3ccccc3o2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000014199448 221303916 /nfs/dbraw/zinc/30/39/16/221303916.db2.gz QLKANZZXPJEKML-LGMDPLHJSA-N 1 2 388.514 3.356 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)N3CCCc4ccccc43)CC2)cc1 ZINC000039561438 132391670 /nfs/dbraw/zinc/39/16/70/132391670.db2.gz KOKJZKMQYCQEHE-GOSISDBHSA-N 1 2 379.504 3.185 20 10 GGCDLO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131037944 564699026 /nfs/dbraw/zinc/69/90/26/564699026.db2.gz AQELRGZKUSFZKO-ASCAZGACSA-N 1 2 399.148 3.116 20 10 GGCDLO C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cc(Br)cc(Br)c1O ZINC000131037944 564699034 /nfs/dbraw/zinc/69/90/34/564699034.db2.gz AQELRGZKUSFZKO-ASCAZGACSA-N 1 2 399.148 3.116 20 10 GGCDLO COc1cc(Cl)cc(C[N@@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000184702408 565153067 /nfs/dbraw/zinc/15/30/67/565153067.db2.gz XWVKFNDMYSXUEG-CABCVRRESA-N 1 2 383.897 3.440 20 10 GGCDLO COc1cc(Cl)cc(C[N@H+]2CCOC[C@H]2C[C@H](O)c2cccs2)c1O ZINC000184702408 565153072 /nfs/dbraw/zinc/15/30/72/565153072.db2.gz XWVKFNDMYSXUEG-CABCVRRESA-N 1 2 383.897 3.440 20 10 GGCDLO C[C@@H]([NH2+]CCn1cc[nH+]c1)c1cc(Br)cc(Br)c1[O-] ZINC000184868544 565162208 /nfs/dbraw/zinc/16/22/08/565162208.db2.gz ZHTSLXDWYMSZOK-SECBINFHSA-N 1 2 389.091 3.465 20 10 GGCDLO C[C@H]([NH2+]Cc1nnc2n1CCCCC2)c1cc(Br)cc(F)c1O ZINC000184877948 565162260 /nfs/dbraw/zinc/16/22/60/565162260.db2.gz OIPBKGLGOJLDII-JTQLQIEISA-N 1 2 383.265 3.463 20 10 GGCDLO COCCOCC[NH2+][C@H](C)c1cc(Br)cc(Br)c1O ZINC000185136728 565179623 /nfs/dbraw/zinc/17/96/23/565179623.db2.gz BITLQCBWXOLZNA-SECBINFHSA-N 1 2 397.107 3.231 20 10 GGCDLO CC[N@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000294875161 565233730 /nfs/dbraw/zinc/23/37/30/565233730.db2.gz FBTPQGDWZWLKFR-QMMMGPOBSA-N 1 2 386.681 3.158 20 10 GGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(N)nc(Cl)n1 ZINC000294875161 565233735 /nfs/dbraw/zinc/23/37/35/565233735.db2.gz FBTPQGDWZWLKFR-QMMMGPOBSA-N 1 2 386.681 3.158 20 10 GGCDLO COCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)c(Cl)c2O)CC1 ZINC000186128519 565242594 /nfs/dbraw/zinc/24/25/94/565242594.db2.gz ZEJOVTAXVOFKPA-LLVKDONJSA-N 1 2 375.296 3.377 20 10 GGCDLO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Br)ccc1O ZINC000271210142 565242692 /nfs/dbraw/zinc/24/26/92/565242692.db2.gz UIDQNUYOGACFNQ-UHFFFAOYSA-N 1 2 384.295 3.190 20 10 GGCDLO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cc(Br)ccc1O ZINC000271210142 565242698 /nfs/dbraw/zinc/24/26/98/565242698.db2.gz UIDQNUYOGACFNQ-UHFFFAOYSA-N 1 2 384.295 3.190 20 10 GGCDLO Cc1cc(Br)cc(C[N@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271778350 565267101 /nfs/dbraw/zinc/26/71/01/565267101.db2.gz HHCONSOPGLPSGH-UHFFFAOYSA-N 1 2 398.322 3.499 20 10 GGCDLO Cc1cc(Br)cc(C[N@@H+](C)Cc2ccc(S(C)(=O)=O)cc2)c1O ZINC000271778350 565267106 /nfs/dbraw/zinc/26/71/06/565267106.db2.gz HHCONSOPGLPSGH-UHFFFAOYSA-N 1 2 398.322 3.499 20 10 GGCDLO C[C@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@@H]1CCOC1 ZINC000271785371 565268266 /nfs/dbraw/zinc/26/82/66/565268266.db2.gz FOTDERLKXTXPGV-DTWKUNHWSA-N 1 2 379.092 3.432 20 10 GGCDLO C[C@@H]([NH2+]Cc1cc(Br)cc(Br)c1O)[C@H]1CCOC1 ZINC000271785369 565269043 /nfs/dbraw/zinc/26/90/43/565269043.db2.gz FOTDERLKXTXPGV-BDAKNGLRSA-N 1 2 379.092 3.432 20 10 GGCDLO Oc1c(Br)cc(Br)cc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000373467900 565287646 /nfs/dbraw/zinc/28/76/46/565287646.db2.gz SYZIMRBTGCGARK-VIFPVBQESA-N 1 2 391.103 3.386 20 10 GGCDLO C[C@H]([NH2+]C[C@@H]1CCC[C@@]12NC(=O)N(C)C2=O)c1ccc(Cl)c(Cl)c1O ZINC000375846890 565409030 /nfs/dbraw/zinc/40/90/30/565409030.db2.gz KRTWBMDPUQDKIC-FJHFEUQMSA-N 1 2 386.279 3.070 20 10 GGCDLO Cn1nc(Br)c2c1nc[nH+]c2NCc1ccc2c(c1)CCCN2C ZINC000301145818 565466951 /nfs/dbraw/zinc/46/69/51/565466951.db2.gz GJIDASBIMDBKFM-UHFFFAOYSA-N 1 2 387.285 3.120 20 10 GGCDLO Cn1nc(Br)c2c1nc[nH+]c2NCCCSc1nccs1 ZINC000301266510 565475463 /nfs/dbraw/zinc/47/54/63/565475463.db2.gz IHWIVKBPGDRJHZ-UHFFFAOYSA-N 1 2 385.316 3.177 20 10 GGCDLO CC[N@H+](Cc1noc(C2CCOCC2)n1)Cc1cc(Br)ccc1O ZINC000174425690 565634494 /nfs/dbraw/zinc/63/44/94/565634494.db2.gz KKEXXQWRGUUNOC-UHFFFAOYSA-N 1 2 396.285 3.454 20 10 GGCDLO CC[N@@H+](Cc1noc(C2CCOCC2)n1)Cc1cc(Br)ccc1O ZINC000174425690 565634500 /nfs/dbraw/zinc/63/45/00/565634500.db2.gz KKEXXQWRGUUNOC-UHFFFAOYSA-N 1 2 396.285 3.454 20 10 GGCDLO CC[C@H]([NH2+]CC1(OCCO)CCOCC1)c1cc(Cl)cc(Cl)c1O ZINC000287227435 566005740 /nfs/dbraw/zinc/00/57/40/566005740.db2.gz YBICFBMWJHMDEC-HNNXBMFYSA-N 1 2 378.296 3.298 20 10 GGCDLO CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)c1cccc(Cl)c1O ZINC000287735666 566037457 /nfs/dbraw/zinc/03/74/57/566037457.db2.gz PKCBUBNPHBEJBX-AWEZNQCLSA-N 1 2 396.887 3.351 20 10 GGCDLO CC[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cc(Cl)cc(Cl)c1O ZINC000287850626 566043538 /nfs/dbraw/zinc/04/35/38/566043538.db2.gz WSWUBVLDBQMBDF-INIZCTEOSA-N 1 2 388.339 3.292 20 10 GGCDLO C[C@@H]([NH2+]C1CCN(c2cccnn2)CC1)c1cc(Br)cc(F)c1O ZINC000364746932 566067974 /nfs/dbraw/zinc/06/79/74/566067974.db2.gz VVBHAOUVNJWZHE-LLVKDONJSA-N 1 2 395.276 3.403 20 10 GGCDLO CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+]Cc2cccc(Cl)c2O)cc1 ZINC000180821347 566091522 /nfs/dbraw/zinc/09/15/22/566091522.db2.gz ONUNKAWJPZXWDV-UHFFFAOYSA-N 1 2 382.913 3.364 20 10 GGCDLO OC[C@@H]1CCC[N@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000183370906 566245485 /nfs/dbraw/zinc/24/54/85/566245485.db2.gz PJXVKNQMOCZOPN-SECBINFHSA-N 1 2 379.092 3.122 20 10 GGCDLO OC[C@@H]1CCC[N@@H+](Cc2cc(Br)cc(Br)c2O)C1 ZINC000183370906 566245486 /nfs/dbraw/zinc/24/54/86/566245486.db2.gz PJXVKNQMOCZOPN-SECBINFHSA-N 1 2 379.092 3.122 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000819833639 606184828 /nfs/dbraw/zinc/18/48/28/606184828.db2.gz JGPFCISZEURQSR-UHFFFAOYSA-N 1 2 381.411 3.079 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+](Cc2ccc(-c3nn[nH]n3)cc2)C2CC2)c1O ZINC000819833639 606184830 /nfs/dbraw/zinc/18/48/30/606184830.db2.gz JGPFCISZEURQSR-UHFFFAOYSA-N 1 2 381.411 3.079 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000824010619 608459220 /nfs/dbraw/zinc/45/92/20/608459220.db2.gz NWCLFMLISWDHGH-UHFFFAOYSA-N 1 2 393.422 3.203 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CC=C(c3ccc(-c4nn[nH]n4)cc3)CC2)c1O ZINC000824010619 608459221 /nfs/dbraw/zinc/45/92/21/608459221.db2.gz NWCLFMLISWDHGH-UHFFFAOYSA-N 1 2 393.422 3.203 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000053772216 1406506967 /nfs/dbraw/zinc/50/69/67/1406506967.db2.gz ZGZNEHJAQIDKAB-KRWDZBQOSA-N 1 2 395.503 3.437 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000053772216 1406506974 /nfs/dbraw/zinc/50/69/74/1406506974.db2.gz ZGZNEHJAQIDKAB-KRWDZBQOSA-N 1 2 395.503 3.437 20 10 GGCDLO COc1ccc(N2CCC[N@@H+]([C@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000053772218 1406507248 /nfs/dbraw/zinc/50/72/48/1406507248.db2.gz ZGZNEHJAQIDKAB-QGZVFWFLSA-N 1 2 395.503 3.437 20 10 GGCDLO COc1ccc(N2CCC[N@H+]([C@H](C)C(=O)Nc3cccc(C(C)=O)c3)CC2)cc1 ZINC000053772218 1406507254 /nfs/dbraw/zinc/50/72/54/1406507254.db2.gz ZGZNEHJAQIDKAB-QGZVFWFLSA-N 1 2 395.503 3.437 20 10 GGCDLO CC(=O)NC1CC[NH+](CC(=O)c2cc(C)n(-c3ccc(C)c(C)c3)c2C)CC1 ZINC000050991834 1405697901 /nfs/dbraw/zinc/69/79/01/1405697901.db2.gz DSSXILMMAKGJIA-UHFFFAOYSA-N 1 2 381.520 3.494 20 10 GGCDLO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc([N+](=O)[O-])c(O)c2)SC1=S ZINC000066145084 1408784611 /nfs/dbraw/zinc/78/46/11/1408784611.db2.gz OXIXNLHEIFHGPD-ZSOIEALJSA-N 1 2 395.506 3.089 20 10 GGCDLO C[NH+](C)CC(C)(C)CN1C(=O)/C(=C/c2ccc(O)c([N+](=O)[O-])c2)SC1=S ZINC000066145120 1408784730 /nfs/dbraw/zinc/78/47/30/1408784730.db2.gz AAJUUKVWXYLOBA-ZSOIEALJSA-N 1 2 395.506 3.089 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NC[C@@H](C)c3ccccc3)CC2)cc1 ZINC000066313656 1408810139 /nfs/dbraw/zinc/81/01/39/1408810139.db2.gz LVTZRURTYISOCI-RTBURBONSA-N 1 2 381.520 3.126 20 10 GGCDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1ccc(OC(F)F)cc1 ZINC000067131541 1409016481 /nfs/dbraw/zinc/01/64/81/1409016481.db2.gz AVDWMSZPYGSFEV-UHFFFAOYSA-N 1 2 378.419 3.335 20 10 GGCDLO COc1ccc(N2CCC[N@H+](Cn3c(-c4ccccn4)csc3=O)CC2)cc1 ZINC000068615243 1409450350 /nfs/dbraw/zinc/45/03/50/1409450350.db2.gz CFOHVLLVHJIZQJ-UHFFFAOYSA-N 1 2 396.516 3.150 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](Cn3c(-c4ccccn4)csc3=O)CC2)cc1 ZINC000068615243 1409450353 /nfs/dbraw/zinc/45/03/53/1409450353.db2.gz CFOHVLLVHJIZQJ-UHFFFAOYSA-N 1 2 396.516 3.150 20 10 GGCDLO COc1ccc(CCC(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)cc1 ZINC000092534262 1410167456 /nfs/dbraw/zinc/16/74/56/1410167456.db2.gz ZSHLOABOEUHYQW-UHFFFAOYSA-N 1 2 388.895 3.331 20 10 GGCDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970873 1410341420 /nfs/dbraw/zinc/34/14/20/1410341420.db2.gz WZMBIVBAXSAKMP-APWZRJJASA-N 1 2 399.491 3.392 20 10 GGCDLO C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970873 1410341429 /nfs/dbraw/zinc/34/14/29/1410341429.db2.gz WZMBIVBAXSAKMP-APWZRJJASA-N 1 2 399.491 3.392 20 10 GGCDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970876 1410341606 /nfs/dbraw/zinc/34/16/06/1410341606.db2.gz WZMBIVBAXSAKMP-QFBILLFUSA-N 1 2 399.491 3.392 20 10 GGCDLO C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+](Cc1ccco1)Cc1ccccc1O ZINC000096970876 1410341610 /nfs/dbraw/zinc/34/16/10/1410341610.db2.gz WZMBIVBAXSAKMP-QFBILLFUSA-N 1 2 399.491 3.392 20 10 GGCDLO COc1ccc(N2CCC[N@H+](Cn3c(=O)sc4c3CC[C@@H](C)C4)CC2)cc1 ZINC000102764685 1410734754 /nfs/dbraw/zinc/73/47/54/1410734754.db2.gz CWDRNNWQAZPUKN-MRXNPFEDSA-N 1 2 387.549 3.213 20 10 GGCDLO COc1ccc(N2CCC[N@@H+](Cn3c(=O)sc4c3CC[C@@H](C)C4)CC2)cc1 ZINC000102764685 1410734784 /nfs/dbraw/zinc/73/47/84/1410734784.db2.gz CWDRNNWQAZPUKN-MRXNPFEDSA-N 1 2 387.549 3.213 20 10 GGCDLO Cc1cc(/C=C2\SC(=S)N(CCC[NH+]3CCOCC3)C2=O)ccc1F ZINC000105507022 1411074106 /nfs/dbraw/zinc/07/41/06/1411074106.db2.gz IDASFGRSLLBFGJ-VBKFSLOCSA-N 1 2 380.510 3.058 20 10 GGCDLO CC1CCN(c2ccc(CNC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2)CC1 ZINC000108443728 1411502223 /nfs/dbraw/zinc/50/22/23/1411502223.db2.gz HXVHJPGDQQXLPA-UHFFFAOYSA-N 1 2 395.551 3.498 20 10 GGCDLO CCN(CC)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)nc[nH+]2)cc1F ZINC000109001791 1411657981 /nfs/dbraw/zinc/65/79/81/1411657981.db2.gz ABDSDPVOASJSAP-KRWDZBQOSA-N 1 2 387.503 3.283 20 10 GGCDLO CCN(CC)c1ccc(CNc2cc(N3CCC[C@H](CO)C3)[nH+]cn2)cc1F ZINC000109001791 1411657990 /nfs/dbraw/zinc/65/79/90/1411657990.db2.gz ABDSDPVOASJSAP-KRWDZBQOSA-N 1 2 387.503 3.283 20 10 GGCDLO CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)Cc1ccccc1O ZINC000109772020 1411809594 /nfs/dbraw/zinc/80/95/94/1411809594.db2.gz DHBRZXXSNPJATI-UHFFFAOYSA-N 1 2 385.533 3.012 20 10 GGCDLO Cc1cc(C(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)c(C)n1-c1ccccn1 ZINC000114706438 1412507061 /nfs/dbraw/zinc/50/70/61/1412507061.db2.gz SLYDNPRRGVLVLW-GOSISDBHSA-N 1 2 389.503 3.403 20 10 GGCDLO CC(=O)c1cc(Cl)cc(CN2CCC(OCC[NH+]3CCCC3)CC2)c1O ZINC000177362053 1428704482 /nfs/dbraw/zinc/70/44/82/1428704482.db2.gz QRLWNUDMBZEBON-UHFFFAOYSA-N 1 2 380.916 3.325 20 10 GGCDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)c1O ZINC000177390661 1428715344 /nfs/dbraw/zinc/71/53/44/1428715344.db2.gz OMCYHXHDACWMSO-GOSISDBHSA-N 1 2 381.259 3.392 20 10 GGCDLO CCCN(Cc1ccccc1O)C(=O)Nc1ccc(N2CCOCC2)[nH+]c1C ZINC000119136660 1413352129 /nfs/dbraw/zinc/35/21/29/1413352129.db2.gz JRIFRWVAEQXIIZ-UHFFFAOYSA-N 1 2 384.480 3.376 20 10 GGCDLO CC1CCN(c2ccc(CNC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2)CC1 ZINC000120436542 1413817381 /nfs/dbraw/zinc/81/73/81/1413817381.db2.gz FAVVXYSAASCFAT-FQEVSTJZSA-N 1 2 393.535 3.396 20 10 GGCDLO Cn1cc[nH+]c1C[C@H]1CCCN(C(=O)NCCCSc2nccs2)C1 ZINC000120977422 1413965718 /nfs/dbraw/zinc/96/57/18/1413965718.db2.gz GNSDLOXTGIHQCR-CQSZACIVSA-N 1 2 379.555 3.023 20 10 GGCDLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000121697912 1414227383 /nfs/dbraw/zinc/22/73/83/1414227383.db2.gz VIBBYLBPCYFWHJ-UHFFFAOYSA-N 1 2 398.887 3.081 20 10 GGCDLO O=S(=O)(c1ccc(F)cc1)N1CCC[N@H+](Cc2cc(Cl)ccc2O)CC1 ZINC000121697912 1414227385 /nfs/dbraw/zinc/22/73/85/1414227385.db2.gz VIBBYLBPCYFWHJ-UHFFFAOYSA-N 1 2 398.887 3.081 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@@H](C)C(=O)N(C)Cc3ccccc3)CC2)cc1F ZINC000122066745 1414353645 /nfs/dbraw/zinc/35/36/45/1414353645.db2.gz UZFIKYIBASYSFA-KRWDZBQOSA-N 1 2 385.483 3.003 20 10 GGCDLO COc1ccc(N2CC[NH+](Cc3cc([N+](=O)[O-])ccc3OC)CC2)cc1F ZINC000122086495 1414359447 /nfs/dbraw/zinc/35/94/47/1414359447.db2.gz KGHRLFQPXPAVBB-UHFFFAOYSA-N 1 2 375.400 3.073 20 10 GGCDLO Cc1sc2[nH]c(C[N@@H+](Cc3ccccc3O)C[C@@H]3CCCO3)nc(=O)c2c1C ZINC000123473327 1414744659 /nfs/dbraw/zinc/74/46/59/1414744659.db2.gz HLZJJGQFQWVKRH-INIZCTEOSA-N 1 2 399.516 3.488 20 10 GGCDLO Cc1sc2[nH]c(C[N@H+](Cc3ccccc3O)C[C@@H]3CCCO3)nc(=O)c2c1C ZINC000123473327 1414744671 /nfs/dbraw/zinc/74/46/71/1414744671.db2.gz HLZJJGQFQWVKRH-INIZCTEOSA-N 1 2 399.516 3.488 20 10 GGCDLO Cc1nc(CN2CC[NH+](Cc3cc(Br)ccc3O)CC2)cs1 ZINC000123929739 1414851556 /nfs/dbraw/zinc/85/15/56/1414851556.db2.gz AEOYUVDXNZBZPU-UHFFFAOYSA-N 1 2 382.327 3.237 20 10 GGCDLO Cc1ccc2[nH+]c(CSCC(=O)NCc3ccc(N(C)C)c(F)c3)cn2c1 ZINC000124315572 1414937092 /nfs/dbraw/zinc/93/70/92/1414937092.db2.gz YVEDBUZMZGFAQU-UHFFFAOYSA-N 1 2 386.496 3.397 20 10 GGCDLO CCOc1ccc(-n2c(C)cc(C(=O)C[NH+]3CCC(CC(N)=O)CC3)c2C)cc1 ZINC000124877324 1415065222 /nfs/dbraw/zinc/06/52/22/1415065222.db2.gz MARTWAACPUOGAN-UHFFFAOYSA-N 1 2 397.519 3.263 20 10 GGCDLO COc1c(C)c[nH+]c(CN(C)C(=O)NCCCSc2nccs2)c1C ZINC000177854955 1428873885 /nfs/dbraw/zinc/87/38/85/1428873885.db2.gz OZJSUTBLHCNOIT-UHFFFAOYSA-N 1 2 380.539 3.487 20 10 GGCDLO C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127976688 1415886894 /nfs/dbraw/zinc/88/68/94/1415886894.db2.gz RUGGHNIOPNPDDI-IBGZPJMESA-N 1 2 391.519 3.046 20 10 GGCDLO C[C@H](c1cccnc1)[NH+]1CCN(C(=O)NCc2ccc(N3CC=CC3)cc2)CC1 ZINC000127976908 1415887132 /nfs/dbraw/zinc/88/71/32/1415887132.db2.gz RUGGHNIOPNPDDI-LJQANCHMSA-N 1 2 391.519 3.046 20 10 GGCDLO CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(OC)c3O)c2C1 ZINC000178241755 1429028735 /nfs/dbraw/zinc/02/87/35/1429028735.db2.gz JDNGHMILLZUVRH-UHFFFAOYSA-N 1 2 391.471 3.257 20 10 GGCDLO CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cccc(OC)c3O)c2C1 ZINC000178241755 1429028744 /nfs/dbraw/zinc/02/87/44/1429028744.db2.gz JDNGHMILLZUVRH-UHFFFAOYSA-N 1 2 391.471 3.257 20 10 GGCDLO C[N@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000132218747 1416718710 /nfs/dbraw/zinc/71/87/10/1416718710.db2.gz KYSYQXGNXLMHAS-UHFFFAOYSA-N 1 2 376.504 3.400 20 10 GGCDLO C[N@@H+](Cc1nccn1Cc1ccccc1)Cc1ccc(N2CCOCC2)cc1 ZINC000132218747 1416718715 /nfs/dbraw/zinc/71/87/15/1416718715.db2.gz KYSYQXGNXLMHAS-UHFFFAOYSA-N 1 2 376.504 3.400 20 10 GGCDLO COc1ccc(N2CC[NH+]([C@H](C)C(=O)NCc3ccc(Cl)cc3)CC2)cc1 ZINC000137529596 1417390289 /nfs/dbraw/zinc/39/02/89/1417390289.db2.gz VINJJDOMZDQMBH-MRXNPFEDSA-N 1 2 387.911 3.176 20 10 GGCDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)N[C@@H]1CCN(c2cccc[nH+]2)C1 ZINC000152989578 1422318879 /nfs/dbraw/zinc/31/88/79/1422318879.db2.gz BVZBKOPSDZRSMZ-HXUWFJFHSA-N 1 2 393.535 3.492 20 10 GGCDLO O=C(NCCCSc1nccs1)N1CC[NH+](Cc2cccs2)CC1 ZINC000154648801 1422982968 /nfs/dbraw/zinc/98/29/68/1422982968.db2.gz HWWNCIOCLUEYEF-UHFFFAOYSA-N 1 2 382.580 3.214 20 10 GGCDLO COc1cc(OC)cc(C(=O)N2CC[NH+](Cc3cc(Cl)ccc3O)CC2)c1 ZINC000179996237 1429681129 /nfs/dbraw/zinc/68/11/29/1429681129.db2.gz DLATXHCBZJERES-UHFFFAOYSA-N 1 2 390.867 3.021 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157626131 1424051858 /nfs/dbraw/zinc/05/18/58/1424051858.db2.gz KFSSKRXNWRLFGQ-IBGZPJMESA-N 1 2 397.494 3.103 20 10 GGCDLO CN(C)c1ccc(CNC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000157626131 1424051864 /nfs/dbraw/zinc/05/18/64/1424051864.db2.gz KFSSKRXNWRLFGQ-IBGZPJMESA-N 1 2 397.494 3.103 20 10 GGCDLO CN(C)c1ccc(CNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1F ZINC000159202600 1424441989 /nfs/dbraw/zinc/44/19/89/1424441989.db2.gz FVQYRCIDMTYTFD-UHFFFAOYSA-N 1 2 397.454 3.489 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)cc1OC ZINC000159664507 1424521924 /nfs/dbraw/zinc/52/19/24/1424521924.db2.gz KAXLIMSZUAGGLA-UHFFFAOYSA-N 1 2 390.867 3.021 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1OC ZINC000159747287 1424532492 /nfs/dbraw/zinc/53/24/92/1424532492.db2.gz JJSSIEIGVRNUMK-UHFFFAOYSA-N 1 2 376.497 3.024 20 10 GGCDLO COc1cc(O)c(C[NH+]2CCN(C(=O)CCC3CCCCC3)CC2)cc1OC ZINC000159908639 1424552019 /nfs/dbraw/zinc/55/20/19/1424552019.db2.gz YSGZHNDGMMXKDX-UHFFFAOYSA-N 1 2 390.524 3.414 20 10 GGCDLO C[N@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000162627824 1424873162 /nfs/dbraw/zinc/87/31/62/1424873162.db2.gz HKRXAYYCICRALP-UHFFFAOYSA-N 1 2 397.910 3.389 20 10 GGCDLO C[N@@H+](Cc1cn(-c2ccc(Cl)cc2)nn1)Cc1ccc(N2CCOCC2)cc1 ZINC000162627824 1424873164 /nfs/dbraw/zinc/87/31/64/1424873164.db2.gz HKRXAYYCICRALP-UHFFFAOYSA-N 1 2 397.910 3.389 20 10 GGCDLO Cc1cc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)ccc1F ZINC000171770409 1425816044 /nfs/dbraw/zinc/81/60/44/1425816044.db2.gz IDASFGRSLLBFGJ-FOWTUZBSSA-N 1 2 380.510 3.058 20 10 GGCDLO Cc1ccc2[nH+]c(CSCC(=O)N3CCOc4cc(N(C)C)ccc43)cn2c1 ZINC000173195402 1426386935 /nfs/dbraw/zinc/38/69/35/1426386935.db2.gz QGGIHALBRZOCPF-UHFFFAOYSA-N 1 2 396.516 3.368 20 10 GGCDLO CC[N@@H+](Cc1cc(Br)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000173992817 1426930876 /nfs/dbraw/zinc/93/08/76/1426930876.db2.gz LUIKBSMHLDSDGZ-UHFFFAOYSA-N 1 2 388.265 3.413 20 10 GGCDLO CC[N@H+](Cc1cc(Br)ccc1O)Cc1nc2ccccc2c(=O)[nH]1 ZINC000173992817 1426930880 /nfs/dbraw/zinc/93/08/80/1426930880.db2.gz LUIKBSMHLDSDGZ-UHFFFAOYSA-N 1 2 388.265 3.413 20 10 GGCDLO O=C1/C(=C\c2ccc3c(c2)CCC3)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000174910834 1427441807 /nfs/dbraw/zinc/44/18/07/1427441807.db2.gz XRXQBLXRBQPYLN-NBVRZTHBSA-N 1 2 388.558 3.099 20 10 GGCDLO NC(=O)NC1CC[NH+](CC(=O)Nc2ccc(/N=N/c3ccccc3)cc2)CC1 ZINC000174913002 1427442551 /nfs/dbraw/zinc/44/25/51/1427442551.db2.gz QBVUPHCDCXPBSN-OCOZRVBESA-N 1 2 380.452 3.173 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000175577213 1427820313 /nfs/dbraw/zinc/82/03/13/1427820313.db2.gz KUGQUIHKROSTBN-UHFFFAOYSA-N 1 2 388.414 3.221 20 10 GGCDLO CC(=O)c1cc(F)cc(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)c1O ZINC000175577213 1427820317 /nfs/dbraw/zinc/82/03/17/1427820317.db2.gz KUGQUIHKROSTBN-UHFFFAOYSA-N 1 2 388.414 3.221 20 10 GGCDLO CN(C)c1ccc([NH+]2CCC(NC(=O)N(C)Cc3ccccc3O)CC2)cc1 ZINC000176005757 1428023283 /nfs/dbraw/zinc/02/32/83/1428023283.db2.gz DBGZRLQNBBPCSR-UHFFFAOYSA-N 1 2 382.508 3.269 20 10 GGCDLO C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000190180049 1432334761 /nfs/dbraw/zinc/33/47/61/1432334761.db2.gz ITOSCRYTVAOSKJ-IBGZPJMESA-N 1 2 375.513 3.170 20 10 GGCDLO C[N@H+](Cc1ccc(N2CCOCC2)cc1)CN1C[C@H](CC(C)(C)C)OC1=O ZINC000190180049 1432334766 /nfs/dbraw/zinc/33/47/66/1432334766.db2.gz ITOSCRYTVAOSKJ-IBGZPJMESA-N 1 2 375.513 3.170 20 10 GGCDLO C[C@@H]([NH2+]Cc1cccc(OCC[NH+]2CCOCC2)c1)c1ccc(F)c(F)c1[O-] ZINC000191222438 1432595593 /nfs/dbraw/zinc/59/55/93/1432595593.db2.gz NECLFIVQXVLLFN-OAHLLOKOSA-N 1 2 392.446 3.232 20 10 GGCDLO Cc1cc(C(=O)NCCn2cc[nH+]c2)c(C)n1-c1ccc(Br)cc1 ZINC000193045785 1432927149 /nfs/dbraw/zinc/92/71/49/1432927149.db2.gz RIBOPXSBAGUEAB-UHFFFAOYSA-N 1 2 387.281 3.483 20 10 GGCDLO CC[C@H](C(=O)Nc1ccc(OC)cc1)[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000194739004 1433222491 /nfs/dbraw/zinc/22/24/91/1433222491.db2.gz NABBMVICYPNTFE-OAQYLSRUSA-N 1 2 383.492 3.243 20 10 GGCDLO CC[C@@H]1c2ccsc2CCN1C(=O)C[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000252019576 1433862489 /nfs/dbraw/zinc/86/24/89/1433862489.db2.gz XNIXSCXMHMWERC-HXUWFJFHSA-N 1 2 399.560 3.415 20 10 GGCDLO O=C1/C(=C\c2ccc(Cl)s2)SC(=S)N1CCC[NH+]1CCOCC1 ZINC000255077355 1433875923 /nfs/dbraw/zinc/87/59/23/1433875923.db2.gz UVXYTNWDJLTKCV-ZRDIBKRKSA-N 1 2 388.967 3.325 20 10 GGCDLO Cc1ccc(F)c(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1 ZINC000255438230 1433882887 /nfs/dbraw/zinc/88/28/87/1433882887.db2.gz JZMWMIVTSKHWGQ-FOWTUZBSSA-N 1 2 380.510 3.058 20 10 GGCDLO Cc1cccc(/C=C2/SC(=S)N(CCC[NH+]3CCOCC3)C2=O)c1C ZINC000255910177 1433891731 /nfs/dbraw/zinc/89/17/31/1433891731.db2.gz QQNHWKWLCONFDT-GHRIWEEISA-N 1 2 376.547 3.227 20 10 GGCDLO COc1cccc(CNC(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c1O ZINC000264182539 1434079098 /nfs/dbraw/zinc/07/90/98/1434079098.db2.gz AATVCXCLUIEHQB-HNNXBMFYSA-N 1 2 385.464 3.116 20 10 GGCDLO COc1cccc(CNC(=O)Nc2ccccc2C[NH+]2C[C@H](C)O[C@@H](C)C2)c1O ZINC000264192810 1434080110 /nfs/dbraw/zinc/08/01/10/1434080110.db2.gz CFCJDYSDXBBOIO-HOTGVXAUSA-N 1 2 399.491 3.332 20 10 GGCDLO COc1cccc(CNC(=O)Nc2ccccc2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000264192814 1434080199 /nfs/dbraw/zinc/08/01/99/1434080199.db2.gz CFCJDYSDXBBOIO-IYBDPMFKSA-N 1 2 399.491 3.332 20 10 GGCDLO COc1cccc(CNC(=O)Nc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000264192814 1434080201 /nfs/dbraw/zinc/08/02/01/1434080201.db2.gz CFCJDYSDXBBOIO-IYBDPMFKSA-N 1 2 399.491 3.332 20 10 GGCDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccccc1O)C[C@@H]1CCCO1 ZINC000264695441 1434144888 /nfs/dbraw/zinc/14/48/88/1434144888.db2.gz MXGLYJGMHVAWDV-NRFANRHFSA-N 1 2 391.471 3.458 20 10 GGCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCOCC5)[nH+]cn4)CC3)c2c1 ZINC000265418712 1434232048 /nfs/dbraw/zinc/23/20/48/1434232048.db2.gz HUJBUCMQBNGSPU-UHFFFAOYSA-N 1 2 391.475 3.097 20 10 GGCDLO COc1ccc2[nH]cc(C3=CCN(c4cc(N5CCOCC5)nc[nH+]4)CC3)c2c1 ZINC000265418712 1434232051 /nfs/dbraw/zinc/23/20/51/1434232051.db2.gz HUJBUCMQBNGSPU-UHFFFAOYSA-N 1 2 391.475 3.097 20 10 GGCDLO CC(=O)c1ccc(NC(=O)C[N@@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000268091613 1434493906 /nfs/dbraw/zinc/49/39/06/1434493906.db2.gz KSRFWUXTOPZJFO-HXUWFJFHSA-N 1 2 382.460 3.215 20 10 GGCDLO CC(=O)c1ccc(NC(=O)C[N@H+](Cc2ccccc2O)C[C@H]2CCCO2)cc1 ZINC000268091613 1434493907 /nfs/dbraw/zinc/49/39/07/1434493907.db2.gz KSRFWUXTOPZJFO-HXUWFJFHSA-N 1 2 382.460 3.215 20 10 GGCDLO C[C@@H]([NH2+][C@@H](CO)c1c(F)cccc1F)c1ccc(N2CCOCC2)c(F)c1 ZINC000271420048 1434823243 /nfs/dbraw/zinc/82/32/43/1434823243.db2.gz BPLSTSPGIPYZQW-ACJLOTCBSA-N 1 2 380.410 3.325 20 10 GGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000276929117 1435244024 /nfs/dbraw/zinc/24/40/24/1435244024.db2.gz YZPPRXYEEMHWKZ-ZDUSSCGKSA-N 1 2 376.434 3.091 20 10 GGCDLO CCOC(=O)c1csc([C@@H]2CCC[N@H+]2Cc2cc3c(cc2O)OCO3)n1 ZINC000276929117 1435244026 /nfs/dbraw/zinc/24/40/26/1435244026.db2.gz YZPPRXYEEMHWKZ-ZDUSSCGKSA-N 1 2 376.434 3.091 20 10 GGCDLO c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000277412030 1435302934 /nfs/dbraw/zinc/30/29/34/1435302934.db2.gz KPPBPYZIFCGIBW-UHFFFAOYSA-N 1 2 378.505 3.200 20 10 GGCDLO c1[nH]c2ncccc2c1C1=CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000277412030 1435302938 /nfs/dbraw/zinc/30/29/38/1435302938.db2.gz KPPBPYZIFCGIBW-UHFFFAOYSA-N 1 2 378.505 3.200 20 10 GGCDLO CCCn1cc[nH+]c1CCCN(C)C(=O)/C=C/c1ccc(N2CCOCC2)cc1 ZINC000277473757 1435306897 /nfs/dbraw/zinc/30/68/97/1435306897.db2.gz HISPVGKGYNXVCT-DHZHZOJOSA-N 1 2 396.535 3.234 20 10 GGCDLO CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278207379 1435369617 /nfs/dbraw/zinc/36/96/17/1435369617.db2.gz JSBYOZORIZWYFW-UHFFFAOYSA-N 1 2 395.362 3.048 20 10 GGCDLO CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccc([N+](=O)[O-])c(OC)c1O ZINC000278207379 1435369619 /nfs/dbraw/zinc/36/96/19/1435369619.db2.gz JSBYOZORIZWYFW-UHFFFAOYSA-N 1 2 395.362 3.048 20 10 GGCDLO COc1c(O)c(C[NH+]2CCC(O)(c3c(F)cccc3F)CC2)ccc1[N+](=O)[O-] ZINC000278395414 1435387136 /nfs/dbraw/zinc/38/71/36/1435387136.db2.gz NGRONTVVHCWALI-UHFFFAOYSA-N 1 2 394.374 3.071 20 10 GGCDLO C[C@H]([NH2+]CC(=O)NCc1ccc(N(C)C)cc1)c1nc(C(F)(F)F)cs1 ZINC000279019680 1435452677 /nfs/dbraw/zinc/45/26/77/1435452677.db2.gz VQXZDELJDGTQNU-NSHDSACASA-N 1 2 386.443 3.195 20 10 GGCDLO Oc1ccccc1C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccco1 ZINC000823733382 1442484991 /nfs/dbraw/zinc/48/49/91/1442484991.db2.gz WBXVPSJFCCSXNC-UHFFFAOYSA-N 1 2 391.431 3.247 20 10 GGCDLO Oc1ccccc1C[N@@H+](CCOc1ccc(-c2nn[nH]n2)cc1)Cc1ccco1 ZINC000823733382 1442484994 /nfs/dbraw/zinc/48/49/94/1442484994.db2.gz WBXVPSJFCCSXNC-UHFFFAOYSA-N 1 2 391.431 3.247 20 10 GGCDLO