smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(NCc1nc(-c2ccccc2)no1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000426383061 231211301 /nfs/dbraw/zinc/21/13/01/231211301.db2.gz GHMBFVQBNZDUSW-QGZVFWFLSA-N 1 1 385.468 2.133 50 0 GEAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C(=O)C[C@@H]1NC(=O)N(c2ccccc2)C1=O ZINC000409413522 529949831 /nfs/dbraw/zinc/94/98/31/529949831.db2.gz BRIRRTZHECKNNX-WDSOQIARSA-N 1 1 398.507 2.224 50 0 GEAAMO CN1CCN(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(Br)c3)C2)CC1 ZINC000004746161 204073419 /nfs/dbraw/zinc/07/34/19/204073419.db2.gz JBWHRAYEOHUJDU-INIZCTEOSA-N 1 1 380.330 2.435 50 0 GEAAMO O[C@H](COc1ccc(Br)cc1)C[NH+]1CCN(c2ccccn2)CC1 ZINC000004872864 204084297 /nfs/dbraw/zinc/08/42/97/204084297.db2.gz XFHQVCMZDVZVKS-INIZCTEOSA-N 1 1 392.297 2.406 50 0 GEAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797273 204207136 /nfs/dbraw/zinc/20/71/36/204207136.db2.gz AGAOHRQIMHTUMX-KRWDZBQOSA-N 1 1 395.507 2.420 50 0 GEAAMO C[C@@H](C(=O)NCc1ccco1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008327773 204271963 /nfs/dbraw/zinc/27/19/63/204271963.db2.gz CGJLNOASDPCTHL-AWEZNQCLSA-N 1 1 399.447 2.364 50 0 GEAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000008367153 204274306 /nfs/dbraw/zinc/27/43/06/204274306.db2.gz RZFVMKOUCXUEGS-IBGZPJMESA-N 1 1 399.516 2.231 50 0 GEAAMO CC(C)N(C(=O)C[NH+]1CCC(NS(=O)(=O)c2ccccc2)CC1)C(C)C ZINC000009377592 204310284 /nfs/dbraw/zinc/31/02/84/204310284.db2.gz LTGBDCLNKBTVOL-UHFFFAOYSA-N 1 1 381.542 2.075 50 0 GEAAMO COc1cc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(C)CC3)C2)cc(OC)c1 ZINC000011720728 204351140 /nfs/dbraw/zinc/35/11/40/204351140.db2.gz YYQBBFQXFHGVKQ-QGZVFWFLSA-N 1 1 375.513 2.126 50 0 GEAAMO Cc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](CCC(=O)N2CCN(C)CC2)C1 ZINC000011753938 204352134 /nfs/dbraw/zinc/35/21/34/204352134.db2.gz LKTKEDWDVDXKIT-INIZCTEOSA-N 1 1 381.952 2.148 50 0 GEAAMO Cc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000011999654 204365405 /nfs/dbraw/zinc/36/54/05/204365405.db2.gz BCLVMAAPWGACTO-FQEVSTJZSA-N 1 1 383.467 2.483 50 0 GEAAMO Cc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N(C)Cc1ccc(F)cc1 ZINC000011999654 204365409 /nfs/dbraw/zinc/36/54/09/204365409.db2.gz BCLVMAAPWGACTO-FQEVSTJZSA-N 1 1 383.467 2.483 50 0 GEAAMO C[C@@H](C[N@@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1)c1ccccc1 ZINC000012024754 204367463 /nfs/dbraw/zinc/36/74/63/204367463.db2.gz IQSXJWFLWUFNTJ-KRWDZBQOSA-N 1 1 390.491 2.265 50 0 GEAAMO O=C(NCCc1nnc2n1CC[N@H+](C/C=C/c1ccccc1)CC2)c1ccoc1 ZINC000012036568 204368974 /nfs/dbraw/zinc/36/89/74/204368974.db2.gz ABFLLWFZFYERHO-QPJJXVBHSA-N 1 1 391.475 2.415 50 0 GEAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)NC[C@@H]2COc3ccccc3O2)[nH]n1 ZINC000012303005 204390958 /nfs/dbraw/zinc/39/09/58/204390958.db2.gz CDBSVZDITQQAEE-OAHLLOKOSA-N 1 1 381.436 2.348 50 0 GEAAMO CN(C(=O)Cn1nc(Cl)ccc1=O)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012303322 204392525 /nfs/dbraw/zinc/39/25/25/204392525.db2.gz RSQJQCGRZLKTMM-HNNXBMFYSA-N 1 1 392.862 2.159 50 0 GEAAMO CN(C(=O)Cn1nc(Cl)ccc1=O)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012303322 204392528 /nfs/dbraw/zinc/39/25/28/204392528.db2.gz RSQJQCGRZLKTMM-HNNXBMFYSA-N 1 1 392.862 2.159 50 0 GEAAMO CC(C)[C@H](CNC(=O)COc1ccc(Br)cc1)[NH+]1CCOCC1 ZINC000013013103 204478094 /nfs/dbraw/zinc/47/80/94/204478094.db2.gz ZBGCFAAUMGZIGB-INIZCTEOSA-N 1 1 385.302 2.301 50 0 GEAAMO CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)CC[NH+]1CCOCC1 ZINC000019940180 204696299 /nfs/dbraw/zinc/69/62/99/204696299.db2.gz FUVUYYQPPVLRCX-UHFFFAOYSA-N 1 1 375.425 2.014 50 0 GEAAMO COC[C@H](O)C[N@@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(C)C ZINC000036156813 205007058 /nfs/dbraw/zinc/00/70/58/205007058.db2.gz LYYRBZYOZNIWBV-CYBMUJFWSA-N 1 1 379.526 2.329 50 0 GEAAMO COC[C@H](O)C[N@H+](Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)CC(C)C ZINC000036156813 205007060 /nfs/dbraw/zinc/00/70/60/205007060.db2.gz LYYRBZYOZNIWBV-CYBMUJFWSA-N 1 1 379.526 2.329 50 0 GEAAMO C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000036813581 205022031 /nfs/dbraw/zinc/02/20/31/205022031.db2.gz OFHAHTFAUKJDKW-QGZVFWFLSA-N 1 1 390.503 2.173 50 0 GEAAMO CN1CC[N@@H+](C)[C@H](CC(=O)NCc2cccnc2Oc2ccc(F)cc2F)C1 ZINC000039461034 205041986 /nfs/dbraw/zinc/04/19/86/205041986.db2.gz PNQGWYGUMGJQMX-MRXNPFEDSA-N 1 1 390.434 2.404 50 0 GEAAMO CN1CC[N@H+](C)C[C@H]1CC(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000039461034 205041989 /nfs/dbraw/zinc/04/19/89/205041989.db2.gz PNQGWYGUMGJQMX-MRXNPFEDSA-N 1 1 390.434 2.404 50 0 GEAAMO CN1CC[N@@H+](C)C[C@H]1CC(=O)NCc1cccnc1Oc1ccc(F)cc1F ZINC000039461034 205041994 /nfs/dbraw/zinc/04/19/94/205041994.db2.gz PNQGWYGUMGJQMX-MRXNPFEDSA-N 1 1 390.434 2.404 50 0 GEAAMO Cn1nc(C2CC[NH+](CC(=O)Nc3cccc(Cl)c3)CC2)n(C2CC2)c1=O ZINC000077154352 205033590 /nfs/dbraw/zinc/03/35/90/205033590.db2.gz RELVWZDIGFABQM-UHFFFAOYSA-N 1 1 389.887 2.388 50 0 GEAAMO COc1cccc(C(=O)N2CC[NH+](C[C@@H](O)COCc3ccccc3)CC2)c1 ZINC000040062568 205048951 /nfs/dbraw/zinc/04/89/51/205048951.db2.gz CJUJEZDTGMBULC-HXUWFJFHSA-N 1 1 384.476 2.031 50 0 GEAAMO C[N@@H+](CCCNC(=O)[C@@H]1CC(=O)N(Cc2ccccn2)C1)Cc1ccccc1 ZINC000040072646 205049306 /nfs/dbraw/zinc/04/93/06/205049306.db2.gz OBQPKKPXAQLWQS-LJQANCHMSA-N 1 1 380.492 2.068 50 0 GEAAMO COc1cccc(CO[C@@H](C)C(=O)N2CCC[N@@H+](C[C@@H]3CCCO3)CC2)c1 ZINC000040107277 205053334 /nfs/dbraw/zinc/05/33/34/205053334.db2.gz DLBDBGYRAALWGQ-PXNSSMCTSA-N 1 1 376.497 2.314 50 0 GEAAMO O=S(=O)(c1ccc(C[NH+](C[C@H]2CCCO2)C[C@H]2CCCO2)o1)N1CCCC1 ZINC000040120133 205053601 /nfs/dbraw/zinc/05/36/01/205053601.db2.gz FFVSVPPAHGOKKI-IAGOWNOFSA-N 1 1 398.525 2.224 50 0 GEAAMO COc1cc(C)c(CN2CCN(C3CC[NH+](C)CC3)[C@H](CCO)C2)cc1C ZINC000039400596 205042442 /nfs/dbraw/zinc/04/24/42/205042442.db2.gz TVEHPLPBEKKMLQ-OAQYLSRUSA-N 1 1 375.557 2.275 50 0 GEAAMO COc1cc(C)c(CN2CC[N@@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1C ZINC000039400596 205042445 /nfs/dbraw/zinc/04/24/45/205042445.db2.gz TVEHPLPBEKKMLQ-OAQYLSRUSA-N 1 1 375.557 2.275 50 0 GEAAMO COc1cc(C)c(CN2CC[N@H+](C3CCN(C)CC3)[C@H](CCO)C2)cc1C ZINC000039400596 205042450 /nfs/dbraw/zinc/04/24/50/205042450.db2.gz TVEHPLPBEKKMLQ-OAQYLSRUSA-N 1 1 375.557 2.275 50 0 GEAAMO Cc1nc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)sc1C ZINC000044921381 205091667 /nfs/dbraw/zinc/09/16/67/205091667.db2.gz MXIBOPLWKIQBTD-UHFFFAOYSA-N 1 1 387.509 2.226 50 0 GEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN(C(=O)c3ccoc3)C2)ccn1 ZINC000047014396 205107860 /nfs/dbraw/zinc/10/78/60/205107860.db2.gz JMCCFLQWMXEUGK-QGZVFWFLSA-N 1 1 393.447 2.337 50 0 GEAAMO COc1ccc(N2C[C@H](C(=O)NCC[N@@H+]3CCc4sccc4C3)CC2=O)cc1 ZINC000048364474 205121293 /nfs/dbraw/zinc/12/12/93/205121293.db2.gz PVPFBVASSUXYSJ-MRXNPFEDSA-N 1 1 399.516 2.284 50 0 GEAAMO COc1ccc(N2C[C@H](C(=O)NCC[N@H+]3CCc4sccc4C3)CC2=O)cc1 ZINC000048364474 205121298 /nfs/dbraw/zinc/12/12/98/205121298.db2.gz PVPFBVASSUXYSJ-MRXNPFEDSA-N 1 1 399.516 2.284 50 0 GEAAMO CC[N@H+]1CCC[C@@](C)(C(=O)N2CCC3(CC2)NC(CCC(C)C)=NC3=O)C1 ZINC000055118992 205143146 /nfs/dbraw/zinc/14/31/46/205143146.db2.gz YZUYTGDTEWXNKR-HXUWFJFHSA-N 1 1 376.545 2.434 50 0 GEAAMO O=S(=O)(c1ccc(Cl)cc1)[C@H]1CS(=O)(=O)C[C@@H]1[NH2+]C1CCCCC1 ZINC000055408393 205148859 /nfs/dbraw/zinc/14/88/59/205148859.db2.gz DTSKTGFBUTXIII-HOTGVXAUSA-N 1 1 391.942 2.202 50 0 GEAAMO O=C(Cc1nc2ncccn2n1)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407377 205152134 /nfs/dbraw/zinc/15/21/34/205152134.db2.gz XDZDGDUAXMDQLQ-UHFFFAOYSA-N 1 1 384.871 2.055 50 0 GEAAMO O=C(Cc1nc2ncccn2n1)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000056407377 205152138 /nfs/dbraw/zinc/15/21/38/205152138.db2.gz XDZDGDUAXMDQLQ-UHFFFAOYSA-N 1 1 384.871 2.055 50 0 GEAAMO O=C1Nc2ccccc2[C@@]12[C@@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000057063774 205152889 /nfs/dbraw/zinc/15/28/89/205152889.db2.gz RCQQKHQFDDVXPI-RQXXJAGISA-N 1 1 391.402 2.257 50 0 GEAAMO COc1ccc2c(c1)nc(-c1cnn(C)c1)cc2C(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC000063834592 205186577 /nfs/dbraw/zinc/18/65/77/205186577.db2.gz ARHOOQQECBJREN-OAHLLOKOSA-N 1 1 379.464 2.420 50 0 GEAAMO COc1cc(CN2C[C@H](O)[C@@H](OC(C)C)C2)ccc1OCC[NH+]1CCCC1 ZINC000063832565 205187967 /nfs/dbraw/zinc/18/79/67/205187967.db2.gz ZYCYBIOMWHRFPU-RXVVDRJESA-N 1 1 378.513 2.140 50 0 GEAAMO Cc1sc2nc(CCC(=O)NCC[N@@H+]3CCC[C@H](C)C3)[nH]c(=O)c2c1C ZINC000058195531 205166839 /nfs/dbraw/zinc/16/68/39/205166839.db2.gz DXDMEPLLVWVZHM-LBPRGKRZSA-N 1 1 376.526 2.382 50 0 GEAAMO CCOC(=O)C1CCN([C@H](C)C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000058441183 205176309 /nfs/dbraw/zinc/17/63/09/205176309.db2.gz WBTFWQUUBCFYDB-YLJYHZDGSA-N 1 1 387.524 2.041 50 0 GEAAMO Cc1ccc(-c2noc(CCC[N@H+]3CCC[C@H](NS(C)(=O)=O)C3)n2)cc1F ZINC000059403293 205177974 /nfs/dbraw/zinc/17/79/74/205177974.db2.gz PGXYMJPBCZYRDD-HNNXBMFYSA-N 1 1 396.488 2.130 50 0 GEAAMO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348590 205181528 /nfs/dbraw/zinc/18/15/28/205181528.db2.gz AWMYCHKPJWXFCV-MRXNPFEDSA-N 1 1 375.485 2.001 50 0 GEAAMO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)c1cc(F)cc(F)c1 ZINC000060348590 205181532 /nfs/dbraw/zinc/18/15/32/205181532.db2.gz AWMYCHKPJWXFCV-MRXNPFEDSA-N 1 1 375.485 2.001 50 0 GEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)c1cnn2c1ncc1c2CC(C)(C)CC1=O ZINC000064987475 205205200 /nfs/dbraw/zinc/20/52/00/205205200.db2.gz VUDSNSHDFPCZGH-CQSZACIVSA-N 1 1 383.496 2.489 50 0 GEAAMO C[C@@H]1CCCC[N@H+]1CCCNC(=O)Cn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064775902 205195615 /nfs/dbraw/zinc/19/56/15/205195615.db2.gz JDRUIQISJKPJKY-MRXNPFEDSA-N 1 1 395.507 2.269 50 0 GEAAMO CCCNc1cc(N2CCC(CCC(=O)N3CC[NH+](CC)CC3)CC2)ncn1 ZINC000065274092 205225783 /nfs/dbraw/zinc/22/57/83/205225783.db2.gz DXVVQDSSOGMBBQ-UHFFFAOYSA-N 1 1 388.560 2.459 50 0 GEAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@H+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)ccc2c1 ZINC000067490041 205249130 /nfs/dbraw/zinc/24/91/30/205249130.db2.gz KRIJWGFIOYYYQE-QGZVFWFLSA-N 1 1 393.443 2.320 50 0 GEAAMO COc1ccc2cc(C(=O)[C@@H]3CCC[N@@H+](Cc4cc(=O)[nH]c(=O)[nH]4)C3)ccc2c1 ZINC000067490041 205249136 /nfs/dbraw/zinc/24/91/36/205249136.db2.gz KRIJWGFIOYYYQE-QGZVFWFLSA-N 1 1 393.443 2.320 50 0 GEAAMO COCCC(=O)N1CCC2(CC1)CN(Cc1ccc(Cl)cc1)CC[N@H+]2C ZINC000067514018 205249201 /nfs/dbraw/zinc/24/92/01/205249201.db2.gz XQBQTJRZKBEIEA-UHFFFAOYSA-N 1 1 379.932 2.485 50 0 GEAAMO Cc1cccc(S(=O)(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c1 ZINC000067620567 205250486 /nfs/dbraw/zinc/25/04/86/205250486.db2.gz AIDWDLNSNJSHPG-UHFFFAOYSA-N 1 1 375.498 2.084 50 0 GEAAMO CCNc1cc(N2CCN(C(=O)c3cccc(OC)c3OC)CC2)[nH+]c(C)n1 ZINC000067604534 205251013 /nfs/dbraw/zinc/25/10/13/205251013.db2.gz FAQANCWETGOAKW-UHFFFAOYSA-N 1 1 385.468 2.196 50 0 GEAAMO CCc1ccc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCCOC)C3)CC2)nc1 ZINC000067642717 205251928 /nfs/dbraw/zinc/25/19/28/205251928.db2.gz TUCMASXXCIWBFE-LJQANCHMSA-N 1 1 388.556 2.083 50 0 GEAAMO COc1ccc(F)c(CN2CCC[C@@](O)(C[N@H+](C)Cc3cc(C)on3)C2=O)c1 ZINC000067817494 205261636 /nfs/dbraw/zinc/26/16/36/205261636.db2.gz XNUGGJAMOAMVCL-HXUWFJFHSA-N 1 1 391.443 2.116 50 0 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531658428 /nfs/dbraw/zinc/65/84/28/531658428.db2.gz XUOIPIBDCPVGON-INIZCTEOSA-N 1 1 388.320 2.341 50 0 GEAAMO OC[C@H](NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260062 532611449 /nfs/dbraw/zinc/61/14/49/532611449.db2.gz IJCOJZDBFCVREH-YOEHRIQHSA-N 1 1 387.293 2.465 50 0 GEAAMO CCCS(=O)(=O)N1CCC(C(=O)NCCC[N@H+]2CCCC[C@@H]2CC)CC1 ZINC000004712024 204068707 /nfs/dbraw/zinc/06/87/07/204068707.db2.gz PKZYDAAOTXRGTC-SFHVURJKSA-N 1 1 387.590 2.209 50 0 GEAAMO CCOC(=O)c1cc(-c2ccccc2)n(CCC(=O)NN2CC[NH+](C)CC2)c1C ZINC000004728814 204068863 /nfs/dbraw/zinc/06/88/63/204068863.db2.gz QNJZDRPGXUBMLM-UHFFFAOYSA-N 1 1 398.507 2.309 50 0 GEAAMO CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)C[NH+]1CCCC1 ZINC000004872014 204084929 /nfs/dbraw/zinc/08/49/29/204084929.db2.gz VLVGVFYHJZVVNL-UHFFFAOYSA-N 1 1 377.485 2.355 50 0 GEAAMO CCCS(=O)(=O)N1CCC[C@@H](C(=O)NCCC[N@@H+](C)Cc2ccccc2)C1 ZINC000004437333 204046428 /nfs/dbraw/zinc/04/64/28/204046428.db2.gz ROAMKAQTTHWHOX-LJQANCHMSA-N 1 1 395.569 2.077 50 0 GEAAMO COc1cccc(C[N@@H+](C)C[C@H](O)COCc2ccc3c(c2)OCO3)c1OC ZINC000006605284 204186940 /nfs/dbraw/zinc/18/69/40/204186940.db2.gz QBMDKYQPUOYTRC-KRWDZBQOSA-N 1 1 389.448 2.442 50 0 GEAAMO CC1=[NH+]N(C(C)C)c2nc3c(c(=O)n(Cc4ccccc4)c(=O)n3C)n2[C@@H]1C ZINC000008704295 204284405 /nfs/dbraw/zinc/28/44/05/204284405.db2.gz GFPKQLQCZCQIKD-CQSZACIVSA-N 1 1 380.452 2.110 50 0 GEAAMO CCS(=O)(=O)N1CCc2cc(-c3csc(N4CC[NH+](C)CC4)n3)ccc21 ZINC000009049981 204297428 /nfs/dbraw/zinc/29/74/28/204297428.db2.gz MCVFPWIEKYOXOS-UHFFFAOYSA-N 1 1 392.550 2.274 50 0 GEAAMO Cc1ccc(C2=NN(C(=O)C[N@@H+]3CCC[C@H](C(N)=O)C3)[C@H](c3ccco3)C2)cc1 ZINC000008171801 204264859 /nfs/dbraw/zinc/26/48/59/204264859.db2.gz GVTGDJPXDGESCI-HKUYNNGSSA-N 1 1 394.475 2.463 50 0 GEAAMO Cc1ccc(C2=NN(C(=O)C[N@H+]3CCC[C@H](C(N)=O)C3)[C@H](c3ccco3)C2)cc1 ZINC000008171801 204264861 /nfs/dbraw/zinc/26/48/61/204264861.db2.gz GVTGDJPXDGESCI-HKUYNNGSSA-N 1 1 394.475 2.463 50 0 GEAAMO Cn1nc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c2ccccc2c1=O ZINC000008232422 204266469 /nfs/dbraw/zinc/26/64/69/204266469.db2.gz GEZMTASDXKCZPH-QGZVFWFLSA-N 1 1 380.448 2.484 50 0 GEAAMO COc1ccc(NC(=O)NCCNc2cc(-n3cccn3)nc(C)[nH+]2)c(OC)c1 ZINC000035597340 204269037 /nfs/dbraw/zinc/26/90/37/204269037.db2.gz SAWODCGPBTWCOC-UHFFFAOYSA-N 1 1 397.439 2.222 50 0 GEAAMO O=C(CCn1ncc(=O)c2ccccc21)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000008367167 204274061 /nfs/dbraw/zinc/27/40/61/204274061.db2.gz HWGKLEILMYCRNF-SFHVURJKSA-N 1 1 376.460 2.177 50 0 GEAAMO COc1ccc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)c4ccco4)n3CC2)cc1 ZINC000012027233 204367358 /nfs/dbraw/zinc/36/73/58/204367358.db2.gz VWJOXINUZKMWHW-HNNXBMFYSA-N 1 1 395.463 2.429 50 0 GEAAMO CSc1ccc(C[N@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000011223396 204343803 /nfs/dbraw/zinc/34/38/03/204343803.db2.gz CDCXBCYCCMEAQC-GOSISDBHSA-N 1 1 385.489 2.120 50 0 GEAAMO CSc1ccc(C[N@@H+](C)CC(=O)N2C[C@H](C(N)=O)Oc3ccccc32)cc1 ZINC000011223396 204343808 /nfs/dbraw/zinc/34/38/08/204343808.db2.gz CDCXBCYCCMEAQC-GOSISDBHSA-N 1 1 385.489 2.120 50 0 GEAAMO Cn1nc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CCCc2ccccc2)C3)ccc1=O ZINC000012439917 204410109 /nfs/dbraw/zinc/41/01/09/204410109.db2.gz GMFRKEFEPIVHTK-HSZRJFAPSA-N 1 1 394.519 2.341 50 0 GEAAMO O=C(NCCCO)c1cn([C@@H]2CCC[N@@H+](Cc3cc4ccccc4s3)C2)nn1 ZINC000012190383 204380781 /nfs/dbraw/zinc/38/07/81/204380781.db2.gz PWXLWXPOKBLOGU-MRXNPFEDSA-N 1 1 399.520 2.442 50 0 GEAAMO CC(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C(=O)N(C)CCO)nn3)C2)cc1 ZINC000012281693 204389122 /nfs/dbraw/zinc/38/91/22/204389122.db2.gz LBFFYJOWZWAYIT-IBGZPJMESA-N 1 1 385.512 2.303 50 0 GEAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012302458 204392148 /nfs/dbraw/zinc/39/21/48/204392148.db2.gz NOCYYYOZKZLFIR-NRFANRHFSA-N 1 1 386.471 2.412 50 0 GEAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)C[C@@]1(O)CCCN(Cc2ccccc2F)C1=O ZINC000012302458 204392153 /nfs/dbraw/zinc/39/21/53/204392153.db2.gz NOCYYYOZKZLFIR-NRFANRHFSA-N 1 1 386.471 2.412 50 0 GEAAMO CCCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H]([N@@H+](C)Cc1ccco1)C2 ZINC000014749209 204541576 /nfs/dbraw/zinc/54/15/76/204541576.db2.gz CJLKPSRNXGXLSK-MRXNPFEDSA-N 1 1 386.496 2.348 50 0 GEAAMO O=C(CC[NH+]1CCN(CC(=O)N2CCCC2)CC1)Nc1ccc(Cl)cc1F ZINC000022929987 204794690 /nfs/dbraw/zinc/79/46/90/204794690.db2.gz CUWIVNRNIUPELR-UHFFFAOYSA-N 1 1 396.894 2.048 50 0 GEAAMO COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035378055 204987066 /nfs/dbraw/zinc/98/70/66/204987066.db2.gz DMSYANQJFTZAOG-PMACEKPBSA-N 1 1 379.460 2.339 50 0 GEAAMO Cc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CC[N@H+](Cc1ccccc1)C2 ZINC000035456170 204991005 /nfs/dbraw/zinc/99/10/05/204991005.db2.gz HGWTZOMOXJNJJS-UHFFFAOYSA-N 1 1 392.459 2.019 50 0 GEAAMO Cc1nc2c(c(=O)n1CC(=O)NCc1ccco1)CC[N@@H+](Cc1ccccc1)C2 ZINC000035456170 204991006 /nfs/dbraw/zinc/99/10/06/204991006.db2.gz HGWTZOMOXJNJJS-UHFFFAOYSA-N 1 1 392.459 2.019 50 0 GEAAMO Cc1nc(NCCNC(=O)Cc2ccc(Cl)cc2)cc(N2CCOCC2)[nH+]1 ZINC000038488299 205037178 /nfs/dbraw/zinc/03/71/78/205037178.db2.gz QFTWFAXZKCQEAS-UHFFFAOYSA-N 1 1 389.887 2.046 50 0 GEAAMO COc1ccc(C(=O)N2C[C@H](O)[C@@H]([N@H+]3CCCN(c4ccccc4)CC3)C2)cc1 ZINC000039509433 205042765 /nfs/dbraw/zinc/04/27/65/205042765.db2.gz SMPQTLDBAVDLCF-VXKWHMMOSA-N 1 1 395.503 2.093 50 0 GEAAMO C[C@H]1C[N@@H+](CCC(=O)N2CCC[C@H](C(N)=O)C2)Cc2cc(Cl)ccc2O1 ZINC000039490380 205042962 /nfs/dbraw/zinc/04/29/62/205042962.db2.gz WUXHCOAWLRHULP-KBPBESRZSA-N 1 1 379.888 2.037 50 0 GEAAMO COc1ccc(C[N@H+]2CCCN(C(=O)CCCCCNC(C)=O)CC2)cc1 ZINC000040086995 205051238 /nfs/dbraw/zinc/05/12/38/205051238.db2.gz ZVTDADKNJNULNZ-UHFFFAOYSA-N 1 1 375.513 2.426 50 0 GEAAMO COc1ccc(-n2cnnc2SCC(=O)NCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000040107535 205052365 /nfs/dbraw/zinc/05/23/65/205052365.db2.gz MPMNHNFFWCJXAV-HNNXBMFYSA-N 1 1 389.525 2.359 50 0 GEAAMO Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000040108078 205052710 /nfs/dbraw/zinc/05/27/10/205052710.db2.gz NMVTXLMXLNNFET-OAHLLOKOSA-N 1 1 393.553 2.288 50 0 GEAAMO CC[C@@](C)(CNC(=O)Nc1cccc(CN2CCOC2=O)c1)[NH+]1CCOCC1 ZINC000040120685 205055447 /nfs/dbraw/zinc/05/54/47/205055447.db2.gz PXHMBIWQGVQWSP-FQEVSTJZSA-N 1 1 390.484 2.261 50 0 GEAAMO C[N@@H+]1CCN(C(=O)NCCc2nnc3n2CCCCC3)[C@@H](c2ccccc2)C1 ZINC000045385975 205095833 /nfs/dbraw/zinc/09/58/33/205095833.db2.gz ZJRFYWFGJYQNCP-GOSISDBHSA-N 1 1 382.512 2.245 50 0 GEAAMO C[N@H+]1CCN(C(=O)NCCc2nnc3n2CCCCC3)[C@@H](c2ccccc2)C1 ZINC000045385975 205095837 /nfs/dbraw/zinc/09/58/37/205095837.db2.gz ZJRFYWFGJYQNCP-GOSISDBHSA-N 1 1 382.512 2.245 50 0 GEAAMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc(N3CCCC3=O)cc2)C1 ZINC000045744769 205096841 /nfs/dbraw/zinc/09/68/41/205096841.db2.gz FZMWMAOYVCAUMZ-MRXNPFEDSA-N 1 1 379.526 2.214 50 0 GEAAMO O=C(N[C@H]1CC[N@H+]2CCCC[C@H]12)c1sccc1S(=O)(=O)N1CCCCC1 ZINC000046997318 205107943 /nfs/dbraw/zinc/10/79/43/205107943.db2.gz QJEJWRREMXEQKX-LSDHHAIUSA-N 1 1 397.566 2.279 50 0 GEAAMO COc1ccc(NC(=O)C[N@@H+](C)C(C)C)cc1S(=O)(=O)N1CCCCC1 ZINC000048289546 205118147 /nfs/dbraw/zinc/11/81/47/205118147.db2.gz WWWQTBGPDHNIOW-UHFFFAOYSA-N 1 1 383.514 2.149 50 0 GEAAMO O=C(c1ccccc1)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCCC1 ZINC000046140784 205105029 /nfs/dbraw/zinc/10/50/29/205105029.db2.gz YRXDLQRSMQKECN-UHFFFAOYSA-N 1 1 393.553 2.087 50 0 GEAAMO O=C(C[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1)NC[C@@H]1CCCc2ccccc21 ZINC000052932298 205134709 /nfs/dbraw/zinc/13/47/09/205134709.db2.gz DOAUMAFSQUCELN-PMACEKPBSA-N 1 1 383.536 2.461 50 0 GEAAMO COC(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)s1 ZINC000053237352 205135650 /nfs/dbraw/zinc/13/56/50/205135650.db2.gz NWDAXESIYUMTOJ-UHFFFAOYSA-N 1 1 387.505 2.212 50 0 GEAAMO CCOC(=O)c1ccc(OC[C@H](O)C[N@@H+](C)Cc2ccc3c(c2)OCO3)cc1 ZINC000053401777 205136854 /nfs/dbraw/zinc/13/68/54/205136854.db2.gz DDNKGHQANQRXSU-QGZVFWFLSA-N 1 1 387.432 2.464 50 0 GEAAMO CN1CC[NH+](Cc2ccc(C(=O)NC[C@@H]3COc4ccccc4C3)cc2)CC1 ZINC000053789540 205137822 /nfs/dbraw/zinc/13/78/22/205137822.db2.gz QSIOLSLIWMDRJR-LJQANCHMSA-N 1 1 379.504 2.415 50 0 GEAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCc2nc(-c3ccncc3)no2)cn1 ZINC000054625729 205139422 /nfs/dbraw/zinc/13/94/22/205139422.db2.gz BHEKFBBEPOERHN-UHFFFAOYSA-N 1 1 389.419 2.270 50 0 GEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@H]1c1ccc2c(c1)OCO2 ZINC000054979051 205142273 /nfs/dbraw/zinc/14/22/73/205142273.db2.gz JHLUAITXEGGTQT-SFHVURJKSA-N 1 1 387.436 2.072 50 0 GEAAMO CC[NH+]1CCN(C(=O)/C(=C\c2ccc(OC)c(OC)c2)n2ccccc2=O)CC1 ZINC000057284566 205155617 /nfs/dbraw/zinc/15/56/17/205155617.db2.gz KDDIZHLOGOBNBE-OBGWFSINSA-N 1 1 397.475 2.028 50 0 GEAAMO CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)cc1 ZINC000058066152 205163123 /nfs/dbraw/zinc/16/31/23/205163123.db2.gz HZDXPRXSDQWTKP-UHFFFAOYSA-N 1 1 384.461 2.019 50 0 GEAAMO C[C@H](NCc1ccccc1C[NH+]1CCCC1)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000058160798 205165821 /nfs/dbraw/zinc/16/58/21/205165821.db2.gz PCROPLYVPNGSAX-INIZCTEOSA-N 1 1 380.492 2.498 50 0 GEAAMO COC(=O)CC[N@H+](CC(=O)Nc1ccc2c(c1)CCN2C(C)=O)CC(C)C ZINC000058180158 205167849 /nfs/dbraw/zinc/16/78/49/205167849.db2.gz IZVZNMKOQNZXEL-UHFFFAOYSA-N 1 1 375.469 2.055 50 0 GEAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000058210803 205168593 /nfs/dbraw/zinc/16/85/93/205168593.db2.gz ORIOOJDTLYMYDC-DVOMOZLQSA-N 1 1 377.485 2.132 50 0 GEAAMO COC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000058210803 205168596 /nfs/dbraw/zinc/16/85/96/205168596.db2.gz ORIOOJDTLYMYDC-DVOMOZLQSA-N 1 1 377.485 2.132 50 0 GEAAMO O=C(CNC(=O)c1ccc(F)c(F)c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000058392100 205175117 /nfs/dbraw/zinc/17/51/17/205175117.db2.gz OQWBNRKXSGKEJR-UHFFFAOYSA-N 1 1 387.430 2.259 50 0 GEAAMO CC(C)OCCCNC(=O)C[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000058918810 205178794 /nfs/dbraw/zinc/17/87/94/205178794.db2.gz BKVDABSPIAMDBG-KRWDZBQOSA-N 1 1 377.533 2.115 50 0 GEAAMO CC(C)OCCCNC(=O)C[N@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000058918810 205178797 /nfs/dbraw/zinc/17/87/97/205178797.db2.gz BKVDABSPIAMDBG-KRWDZBQOSA-N 1 1 377.533 2.115 50 0 GEAAMO C[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3nnc(C(F)(F)F)s3)CC2)C1 ZINC000065464089 205235081 /nfs/dbraw/zinc/23/50/81/205235081.db2.gz ZDTJOVNYIZNLAQ-LBPRGKRZSA-N 1 1 391.463 2.328 50 0 GEAAMO Cc1ccc(CNC(=O)C2CC[NH+]([C@@H](C)C(=O)Nc3ncccn3)CC2)cc1F ZINC000065517697 205236279 /nfs/dbraw/zinc/23/62/79/205236279.db2.gz WEWBZZIITBOHKY-HNNXBMFYSA-N 1 1 399.470 2.280 50 0 GEAAMO CC[NH+]1CCN(C(=O)C2CCN(c3nnc(-c4ccc(OC)cc4)o3)CC2)CC1 ZINC000065229666 205220698 /nfs/dbraw/zinc/22/06/98/205220698.db2.gz OHPNLQGXMPMUSU-UHFFFAOYSA-N 1 1 399.495 2.126 50 0 GEAAMO C[N@H+]1[C@@H](c2ccccc2Cl)[C@@H](C(=O)N2CCC[NH+](C)CC2)C[C@@]1(C)C(=O)[O-] ZINC000067513482 205249032 /nfs/dbraw/zinc/24/90/32/205249032.db2.gz GLAUSIYQGDMLTH-KNBMTAEXSA-N 1 1 393.915 2.340 50 0 GEAAMO C[NH+]1[C@@H](c2ccccc2Cl)[C@@H](C(=O)N2CCC[N@H+](C)CC2)C[C@@]1(C)C(=O)[O-] ZINC000067513482 205249035 /nfs/dbraw/zinc/24/90/35/205249035.db2.gz GLAUSIYQGDMLTH-KNBMTAEXSA-N 1 1 393.915 2.340 50 0 GEAAMO 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CC(C)c1nc(CN2CC[N@@H+](C)[C@]3(C2)CCC(=O)N(CC2CC2)CC3)no1 ZINC000230186135 206111985 /nfs/dbraw/zinc/11/19/85/206111985.db2.gz YBIYTFXYAZNTIF-HXUWFJFHSA-N 1 1 375.517 2.102 50 0 GEAAMO COc1ccc(-c2nc3c([nH]2)CCN(C(=O)CCCn2cc[nH+]c2C)C3)cn1 ZINC000243956910 206129026 /nfs/dbraw/zinc/12/90/26/206129026.db2.gz CEGGOKZBPRDGGV-UHFFFAOYSA-N 1 1 380.452 2.350 50 0 GEAAMO COc1ccc(-c2nc3c([nH]2)CN(C(=O)CCCn2cc[nH+]c2C)CC3)cn1 ZINC000243956910 206129038 /nfs/dbraw/zinc/12/90/38/206129038.db2.gz CEGGOKZBPRDGGV-UHFFFAOYSA-N 1 1 380.452 2.350 50 0 GEAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1O)c1cnoc1-c1ccccc1 ZINC000244673619 206129707 /nfs/dbraw/zinc/12/97/07/206129707.db2.gz HSPMKTMDGOSFQW-RTBURBONSA-N 1 1 378.432 2.102 50 0 GEAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1O)c1cnoc1-c1ccccc1 ZINC000244673619 206129712 /nfs/dbraw/zinc/12/97/12/206129712.db2.gz HSPMKTMDGOSFQW-RTBURBONSA-N 1 1 378.432 2.102 50 0 GEAAMO CC[C@@H]1C[N@@H+](CCC(=O)N2CCc3n[nH]cc3C2)Cc2cc(OC)ccc2O1 ZINC000299772354 206187691 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CCCCSc1nc(N)cc(N2CCC[C@H](C(=O)N3CCOCC3)C2)[nH+]1 ZINC000095375731 136178484 /nfs/dbraw/zinc/17/84/84/136178484.db2.gz RYUSIIDGYVNTEZ-AWEZNQCLSA-N 1 1 379.530 2.026 50 0 GEAAMO Cc1cccc(N2CCN(C(=O)CN3C(=O)OC[C@@H]3c3ccccc3)CC2)[nH+]1 ZINC000095527740 136181741 /nfs/dbraw/zinc/18/17/41/136181741.db2.gz YIOHCGZYRJWLMP-GOSISDBHSA-N 1 1 380.448 2.232 50 0 GEAAMO Cc1nnnn1-c1ccc(NC(=O)N2CCN(c3[nH+]cccc3C)CC2)cc1 ZINC000096131809 136184240 /nfs/dbraw/zinc/18/42/40/136184240.db2.gz ONCDLBJTGXOFNZ-UHFFFAOYSA-N 1 1 378.440 2.028 50 0 GEAAMO COc1cccc(C[N@H+]2CCN(c3ncnc4onc(C)c43)C[C@@H]2CCO)c1 ZINC000106961492 136191586 /nfs/dbraw/zinc/19/15/86/136191586.db2.gz YLZPGRYCWTUKSJ-INIZCTEOSA-N 1 1 383.452 2.008 50 0 GEAAMO COc1cc(C[N@@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)cc(OC)c1 ZINC000106975554 136196936 /nfs/dbraw/zinc/19/69/36/136196936.db2.gz OKVMCQZGWYCAQJ-MRXNPFEDSA-N 1 1 397.479 2.048 50 0 GEAAMO COc1cc(C[N@H+]2CCN(c3ncnc4[nH]ccc43)C[C@H]2CCO)cc(OC)c1 ZINC000106975554 136196937 /nfs/dbraw/zinc/19/69/37/136196937.db2.gz OKVMCQZGWYCAQJ-MRXNPFEDSA-N 1 1 397.479 2.048 50 0 GEAAMO CCn1cncc1-c1c(-c2ccccc2)ncn1CCC[N@@H+]1CCNC(=O)C1 ZINC000065397535 222128670 /nfs/dbraw/zinc/12/86/70/222128670.db2.gz MDGCQYPHXVLXTH-UHFFFAOYSA-N 1 1 378.480 2.255 50 0 GEAAMO CCn1cncc1-c1c(-c2ccccc2)ncn1CCC[N@H+]1CCNC(=O)C1 ZINC000065397535 222128675 /nfs/dbraw/zinc/12/86/75/222128675.db2.gz MDGCQYPHXVLXTH-UHFFFAOYSA-N 1 1 378.480 2.255 50 0 GEAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)c2ccc3ccccc3n2)[C@H](O)C1 ZINC000426527589 534358517 /nfs/dbraw/zinc/35/85/17/534358517.db2.gz AEPJOMUXYVZNIN-UYAOXDASSA-N 1 1 380.448 2.205 50 0 GEAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)c2ccc3ccccc3n2)[C@H](O)C1 ZINC000426527589 534358529 /nfs/dbraw/zinc/35/85/29/534358529.db2.gz AEPJOMUXYVZNIN-UYAOXDASSA-N 1 1 380.448 2.205 50 0 GEAAMO O=C(NCc1cn2c(n1)SCC2)N1CCC[N@H+](C2Cc3ccccc3C2)CC1 ZINC000426478815 534695397 /nfs/dbraw/zinc/69/53/97/534695397.db2.gz NYJIBPRXZVZSFH-UHFFFAOYSA-N 1 1 397.548 2.374 50 0 GEAAMO O=C(Cn1cncn1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000012763164 527408182 /nfs/dbraw/zinc/40/81/82/527408182.db2.gz BBBIHVQAMGTIRT-IBGZPJMESA-N 1 1 375.423 2.071 50 0 GEAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3cnn(-c4ccccn4)c3C)cc2C1 ZINC000426647907 528488727 /nfs/dbraw/zinc/48/87/27/528488727.db2.gz KIKDQGBSMYSVNT-UHFFFAOYSA-N 1 1 393.495 2.318 50 0 GEAAMO O=C([C@H]1CCC[N@@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1)N1CCCC1 ZINC000096113611 570210365 /nfs/dbraw/zinc/21/03/65/570210365.db2.gz SNQRLIHJRADGKC-WMLDXEAASA-N 1 1 389.883 2.306 50 0 GEAAMO O=C([C@H]1CCC[N@H+]([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2=O)C1)N1CCCC1 ZINC000096113611 570210368 /nfs/dbraw/zinc/21/03/68/570210368.db2.gz SNQRLIHJRADGKC-WMLDXEAASA-N 1 1 389.883 2.306 50 0 GEAAMO Cc1[nH+]ccn1Cc1nnc(C2CCN(C(=O)CCC(F)(F)F)CC2)n1C ZINC000096149048 570214401 /nfs/dbraw/zinc/21/44/01/570214401.db2.gz YDSLETMHUJBMPE-UHFFFAOYSA-N 1 1 384.406 2.417 50 0 GEAAMO NS(=O)(=O)c1ccc(NC(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000096147813 570214458 /nfs/dbraw/zinc/21/44/58/570214458.db2.gz CCDWKUCWKALLRZ-CQSZACIVSA-N 1 1 380.514 2.110 50 0 GEAAMO CCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)Cn1cc(Cl)cn1)CC2 ZINC000096162635 570217147 /nfs/dbraw/zinc/21/71/47/570217147.db2.gz DKAHCSKFIZOOLX-UHFFFAOYSA-N 1 1 376.892 2.046 50 0 GEAAMO CC(C)N(C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1)C(=O)OC(C)(C)C ZINC000048273831 570226006 /nfs/dbraw/zinc/22/60/06/570226006.db2.gz JVVKJQXOYFTGBY-OAHLLOKOSA-N 1 1 396.532 2.332 50 0 GEAAMO CC(C)N(C[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC2CC2)C1)C(=O)OC(C)(C)C ZINC000048273831 570226011 /nfs/dbraw/zinc/22/60/11/570226011.db2.gz JVVKJQXOYFTGBY-OAHLLOKOSA-N 1 1 396.532 2.332 50 0 GEAAMO CCCCOC(=O)c1ccc(N2C(=O)C[C@@H]([NH+]3CCC(OC)CC3)C2=O)cc1 ZINC000019890145 570228152 /nfs/dbraw/zinc/22/81/52/570228152.db2.gz PNQRHVXCDURUIT-GOSISDBHSA-N 1 1 388.464 2.386 50 0 GEAAMO O=C(Cc1cnn(-c2ccccc2)c1)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000048302212 570234786 /nfs/dbraw/zinc/23/47/86/570234786.db2.gz MBNZYZVFKDQJGS-UHFFFAOYSA-N 1 1 389.503 2.353 50 0 GEAAMO O=C(NCCC[NH+]1CCOCC1)[C@H]1Cc2ccccc2N1C(=O)c1ccccc1 ZINC000015773813 570240991 /nfs/dbraw/zinc/24/09/91/570240991.db2.gz DBZFKAWIHRUKKG-OAQYLSRUSA-N 1 1 393.487 2.097 50 0 GEAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C(=O)N(C)C)c2C)C1 ZINC000097618874 570247690 /nfs/dbraw/zinc/24/76/90/570247690.db2.gz GAJOSPMZADDHHN-INIZCTEOSA-N 1 1 376.501 2.177 50 0 GEAAMO NC(=O)[C@H]1CCC[N@@H+](CCNC(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000097600938 570247702 /nfs/dbraw/zinc/24/77/02/570247702.db2.gz LLMCMKQKBLQCNA-LBPRGKRZSA-N 1 1 375.860 2.207 50 0 GEAAMO Cc1nnnn1-c1ccc(CC(=O)N[C@H](C)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000097635138 570248070 /nfs/dbraw/zinc/24/80/70/570248070.db2.gz BYDZIWSQLBHUGK-MRXNPFEDSA-N 1 1 390.491 2.076 50 0 GEAAMO CN(C)C(=O)C[N@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048428171 570250775 /nfs/dbraw/zinc/25/07/75/570250775.db2.gz JQHWKEPPLXTDSA-UHFFFAOYSA-N 1 1 377.448 2.019 50 0 GEAAMO CN(C)C(=O)C[N@@H+](C)Cc1ccc(-c2nc(-c3ccncc3)cc(=O)[nH]2)cc1 ZINC000048428171 570250780 /nfs/dbraw/zinc/25/07/80/570250780.db2.gz JQHWKEPPLXTDSA-UHFFFAOYSA-N 1 1 377.448 2.019 50 0 GEAAMO CC[N@@H+](C)[C@@H]1c2ccccc2C2(CCN(C(=O)c3cnc(C)cn3)CC2)[C@H]1O ZINC000020452782 570257716 /nfs/dbraw/zinc/25/77/16/570257716.db2.gz FMSRCLLCLFUFLR-UXHICEINSA-N 1 1 380.492 2.326 50 0 GEAAMO O=S(=O)(N1CCCCC1)N1CCC[N@@H+](Cc2cccc3[nH]ccc32)CC1 ZINC000215085842 570285289 /nfs/dbraw/zinc/28/52/89/570285289.db2.gz FOJZBKCYAVWETJ-UHFFFAOYSA-N 1 1 376.526 2.406 50 0 GEAAMO CC(C)OC(=O)N1C[C@H]2[C@H](C[N@H+]3CCCN(C(=O)c4ccoc4)CC3)[C@H]2C1 ZINC000102495306 570289473 /nfs/dbraw/zinc/28/94/73/570289473.db2.gz DFBOGDQTGBBLMT-NNZMDNLPSA-N 1 1 375.469 2.150 50 0 GEAAMO CC[NH+]1CCN(C(=O)[C@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)CC1 ZINC000032944819 570298148 /nfs/dbraw/zinc/29/81/48/570298148.db2.gz KVOPABBDXCUBCA-LBPRGKRZSA-N 1 1 382.386 2.140 50 0 GEAAMO COc1ccccc1N1C(=O)C[C@@H](N2CC[NH+](Cc3ccccc3)CC2)C1=O ZINC000022972193 570339564 /nfs/dbraw/zinc/33/95/64/570339564.db2.gz VSQUMUPYVXETIG-LJQANCHMSA-N 1 1 379.460 2.145 50 0 GEAAMO CC[NH+]1CCN(C(=O)[C@@H]2COC3(CCCCC3)N2C(=O)c2ccccc2)CC1 ZINC000034920715 570345164 /nfs/dbraw/zinc/34/51/64/570345164.db2.gz GYRHFZGENIXMJD-IBGZPJMESA-N 1 1 385.508 2.352 50 0 GEAAMO Cc1oc2ncn(CCC(=O)NCC[N@H+](C)Cc3ccccc3)c(=O)c2c1C ZINC000035378531 570346749 /nfs/dbraw/zinc/34/67/49/570346749.db2.gz BGJJRZGQTKFYFU-UHFFFAOYSA-N 1 1 382.464 2.245 50 0 GEAAMO CC(C)[C@@H](CNC(=O)CCc1nnc(-c2ccsc2)o1)[NH+]1CCOCC1 ZINC000023195868 570349672 /nfs/dbraw/zinc/34/96/72/570349672.db2.gz DOASYJFXUXBYFI-OAHLLOKOSA-N 1 1 378.498 2.204 50 0 GEAAMO O=C(NCC[NH+]1CCN(c2ccccc2)CC1)c1cncn1-c1ccccc1 ZINC000023193929 570349754 /nfs/dbraw/zinc/34/97/54/570349754.db2.gz DMAWYYOOPKIWQP-UHFFFAOYSA-N 1 1 375.476 2.424 50 0 GEAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@H+](CCc3ccccc3)C2)CC1 ZINC000023352270 570355852 /nfs/dbraw/zinc/35/58/52/570355852.db2.gz XUNLVGGZMBBIIQ-DHIUTWEWSA-N 1 1 398.595 2.037 50 0 GEAAMO CN1CCN(C[C@H]2C[C@@H](C(=O)N3CCCC3)C[N@@H+](CCc3ccccc3)C2)CC1 ZINC000023352270 570355854 /nfs/dbraw/zinc/35/58/54/570355854.db2.gz XUNLVGGZMBBIIQ-DHIUTWEWSA-N 1 1 398.595 2.037 50 0 GEAAMO O=C(C1CCCCC1)N1CC[C@@H]([NH+]2CCN(CCc3ccccc3)CC2)[C@H](O)C1 ZINC000023361303 570356861 /nfs/dbraw/zinc/35/68/61/570356861.db2.gz RRZTTYKWORROFC-DHIUTWEWSA-N 1 1 399.579 2.389 50 0 GEAAMO COC(=O)c1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)c1 ZINC000025561864 570416014 /nfs/dbraw/zinc/41/60/14/570416014.db2.gz LXRCGHQNTJMFDB-QGZVFWFLSA-N 1 1 388.439 2.174 50 0 GEAAMO O=C(CC[N@H+]1CCC[C@@H]1C(=O)NCc1ccco1)Nc1ccc2c(c1)OCCO2 ZINC000026134656 570422822 /nfs/dbraw/zinc/42/28/22/570422822.db2.gz QZTSJLBDVPEQRU-QGZVFWFLSA-N 1 1 399.447 2.160 50 0 GEAAMO Cc1ccc(C)c(CN2[NH+]=C(C)[C@@H](C)n3c4c(nc32)n(C)c(=O)n(C)c4=O)c1 ZINC000005148006 570427401 /nfs/dbraw/zinc/42/74/01/570427401.db2.gz KINJKCHOCYFPGG-CQSZACIVSA-N 1 1 380.452 2.008 50 0 GEAAMO COc1ccc(CCS(=O)(=O)NC[C@H](c2cccn2C)[NH+]2CCCC2)cc1 ZINC000011847004 570438328 /nfs/dbraw/zinc/43/83/28/570438328.db2.gz DYVQJEKIQDYALB-HXUWFJFHSA-N 1 1 391.537 2.333 50 0 GEAAMO COc1ccc(Oc2ncccc2NC(=O)N2CC[NH+]([C@@H](C)CO)CC2)cc1 ZINC000072272313 570451389 /nfs/dbraw/zinc/45/13/89/570451389.db2.gz IAYMCTSOSIVJLZ-HNNXBMFYSA-N 1 1 386.452 2.413 50 0 GEAAMO C[C@@H](CNC(=O)[C@H]1COc2ccccc2O1)[NH+]1CCN(c2ccccc2)CC1 ZINC000043083709 570499378 /nfs/dbraw/zinc/49/93/78/570499378.db2.gz UWHGBFJPGBXOMW-LAUBAEHRSA-N 1 1 381.476 2.153 50 0 GEAAMO Cc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C(=O)N3CC[NH+](C)CC3)no2)cc1 ZINC000035989199 570504797 /nfs/dbraw/zinc/50/47/97/570504797.db2.gz PVMXFXTVLGGMCG-LJQANCHMSA-N 1 1 396.491 2.419 50 0 GEAAMO C[NH+]1CCN(C[C@@H]2CCCN(C(=O)NCCSc3ccccc3)C2)CC1 ZINC000362953815 570548523 /nfs/dbraw/zinc/54/85/23/570548523.db2.gz ZKTAIMVDYNPUAP-SFHVURJKSA-N 1 1 376.570 2.448 50 0 GEAAMO Cc1ccc(-c2cc(NC(=O)CN3CC[NH+](C[C@@H]4CCCO4)CC3)on2)cc1 ZINC000022788299 570549967 /nfs/dbraw/zinc/54/99/67/570549967.db2.gz YHCQUAMBHRJUJF-SFHVURJKSA-N 1 1 384.480 2.385 50 0 GEAAMO COC(=O)c1sc(NC(=O)CC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C(=O)OC)c1C ZINC000022827959 570554143 /nfs/dbraw/zinc/55/41/43/570554143.db2.gz UWBZYTHBPMJYPJ-GHMZBOCLSA-N 1 1 398.481 2.068 50 0 GEAAMO C[C@H]1C[C@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C[N@H+]1C1CC1 ZINC000151903726 570618998 /nfs/dbraw/zinc/61/89/98/570618998.db2.gz YTNOOAMTAMGECK-BQBZGAKWSA-N 1 1 377.313 2.062 50 0 GEAAMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566239 570758826 /nfs/dbraw/zinc/75/88/26/570758826.db2.gz UBQYGTTXFMGIJO-BIENJYKASA-N 1 1 387.480 2.454 50 0 GEAAMO COC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566239 570758829 /nfs/dbraw/zinc/75/88/29/570758829.db2.gz UBQYGTTXFMGIJO-BIENJYKASA-N 1 1 387.480 2.454 50 0 GEAAMO COC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@@H]1c1cccc(OC)c1 ZINC000013566239 570758831 /nfs/dbraw/zinc/75/88/31/570758831.db2.gz UBQYGTTXFMGIJO-BIENJYKASA-N 1 1 387.480 2.454 50 0 GEAAMO CC[C@@]1([NH+]2CCN(C(=O)c3ccc(F)c(Cl)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292046 570784871 /nfs/dbraw/zinc/78/48/71/570784871.db2.gz NDSPHPCMKASGPD-LJQANCHMSA-N 1 1 396.894 2.431 50 0 GEAAMO C[C@H](C(=O)NCCc1cccs1)N1CC[NH+](CCOc2ccccc2)CC1 ZINC000032751445 570791854 /nfs/dbraw/zinc/79/18/54/570791854.db2.gz OGGHSYUNFFYAFL-GOSISDBHSA-N 1 1 387.549 2.492 50 0 GEAAMO CC[N@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000011364481 570794993 /nfs/dbraw/zinc/79/49/93/570794993.db2.gz UPIWRUWGHUQLAU-UHFFFAOYSA-N 1 1 399.403 2.314 50 0 GEAAMO CC[N@@H+](CC(=O)NC(=O)Nc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2 ZINC000011364481 570794994 /nfs/dbraw/zinc/79/49/94/570794994.db2.gz UPIWRUWGHUQLAU-UHFFFAOYSA-N 1 1 399.403 2.314 50 0 GEAAMO O=C(c1cccnc1O[C@@H]1CCOC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000239611764 570834774 /nfs/dbraw/zinc/83/47/74/570834774.db2.gz FDXAKAQQFNASHQ-LJQANCHMSA-N 1 1 381.476 2.250 50 0 GEAAMO CCOC(=O)C(=CN[C@@H](C)[C@H](c1ccccc1)[NH+]1CCOCC1)C(=O)OCC ZINC000102142480 570842081 /nfs/dbraw/zinc/84/20/81/570842081.db2.gz LLXFIWDDKJOCFL-QFBILLFUSA-N 1 1 390.480 2.048 50 0 GEAAMO O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N2CC[N@@H+](CC3CCCCC3)C[C@H]12 ZINC000014732832 570858042 /nfs/dbraw/zinc/85/80/42/570858042.db2.gz OKSKQSCYNBJAOM-LEWJYISDSA-N 1 1 394.519 2.302 50 0 GEAAMO Cc1cccc(C[N@@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCc2cccs2)c1 ZINC000015072364 570877879 /nfs/dbraw/zinc/87/78/79/570877879.db2.gz CPRKUTITNXVEDE-WMZOPIPTSA-N 1 1 382.493 2.175 50 0 GEAAMO Cc1cccc(C[N@H+]2C[C@@H](n3cnnn3)C[C@H]2C(=O)NCc2cccs2)c1 ZINC000015072364 570877882 /nfs/dbraw/zinc/87/78/82/570877882.db2.gz CPRKUTITNXVEDE-WMZOPIPTSA-N 1 1 382.493 2.175 50 0 GEAAMO CN(C)c1[nH+]cc(CNC(=O)C2(c3ccc4c(c3)OCCO4)CCCC2)n1C ZINC000170626777 570883930 /nfs/dbraw/zinc/88/39/30/570883930.db2.gz RSZSLYPDSBZYHN-UHFFFAOYSA-N 1 1 384.480 2.386 50 0 GEAAMO Cc1ccc(CNC(=O)N2CCC[N@@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000097086764 570890446 /nfs/dbraw/zinc/89/04/46/570890446.db2.gz XYMIGTHOAGEJGI-HXUWFJFHSA-N 1 1 384.524 2.223 50 0 GEAAMO Cc1ccc(CNC(=O)N2CCC[N@H+]([C@@H]3CCN(CC4CC4)C3=O)CC2)cc1 ZINC000097086764 570890449 /nfs/dbraw/zinc/89/04/49/570890449.db2.gz XYMIGTHOAGEJGI-HXUWFJFHSA-N 1 1 384.524 2.223 50 0 GEAAMO C[C@H](CCN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000097095951 570892015 /nfs/dbraw/zinc/89/20/15/570892015.db2.gz WSTIPUMTYFOLAR-QGZVFWFLSA-N 1 1 387.528 2.070 50 0 GEAAMO CCc1[nH+]ccn1CCNC(=O)N(C)Cc1nc(-c2ccc(OC)cc2)no1 ZINC000534588937 570905625 /nfs/dbraw/zinc/90/56/25/570905625.db2.gz DSOVKCMLTTZNPD-UHFFFAOYSA-N 1 1 384.440 2.346 50 0 GEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@H+]12 ZINC000015990459 570910896 /nfs/dbraw/zinc/91/08/96/570910896.db2.gz NBZXKTVPBMDRLV-MLHJIOFPSA-N 1 1 393.830 2.341 50 0 GEAAMO NC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=C[N@@H+]12 ZINC000015990459 570910901 /nfs/dbraw/zinc/91/09/01/570910901.db2.gz NBZXKTVPBMDRLV-MLHJIOFPSA-N 1 1 393.830 2.341 50 0 GEAAMO CC(C)c1nc(CN(C)C(=O)NCC2(CN3CC[NH+](C)CC3)CC2)cs1 ZINC000534633653 570910952 /nfs/dbraw/zinc/91/09/52/570910952.db2.gz FYHCLKAKINFNLH-UHFFFAOYSA-N 1 1 379.574 2.436 50 0 GEAAMO C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000032930567 570944110 /nfs/dbraw/zinc/94/41/10/570944110.db2.gz QMDZWQUVKNSRQD-QGZVFWFLSA-N 1 1 381.476 2.158 50 0 GEAAMO COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CC[C@H](OCc3ccccn3)C2)cc1OC ZINC000084001057 570989913 /nfs/dbraw/zinc/98/99/13/570989913.db2.gz LZTIFTPKTTUVEZ-APWZRJJASA-N 1 1 399.491 2.395 50 0 GEAAMO COc1ccc(CNC(=O)[C@@H](C)[N@H+]2CC[C@H](OCc3ccccn3)C2)cc1OC ZINC000084001057 570989916 /nfs/dbraw/zinc/98/99/16/570989916.db2.gz LZTIFTPKTTUVEZ-APWZRJJASA-N 1 1 399.491 2.395 50 0 GEAAMO CCCc1nnc(N2CCC3(CCC(=O)N([C@H]4CC[N@@H+](C)C4)C3)CC2)s1 ZINC000091320355 571002959 /nfs/dbraw/zinc/00/29/59/571002959.db2.gz RAFHGTXEBJSWKJ-HNNXBMFYSA-N 1 1 377.558 2.404 50 0 GEAAMO CC(C)NC(=O)C[N@@H+](C)C1CCN(C(=O)C2(c3ccc(F)cc3)CC2)CC1 ZINC000170685077 571010406 /nfs/dbraw/zinc/01/04/06/571010406.db2.gz GPEYNCMLRFHZPE-UHFFFAOYSA-N 1 1 375.488 2.305 50 0 GEAAMO C[N@H+]1CCCC[C@@H]1C(=O)N1CCC2(CCC(=O)N(Cc3cccnc3)C2)CC1 ZINC000091536371 571013039 /nfs/dbraw/zinc/01/30/39/571013039.db2.gz WCJPGMAKLXDSQR-LJQANCHMSA-N 1 1 384.524 2.297 50 0 GEAAMO O=C(CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2)NCCc1ccccc1 ZINC000091551884 571014345 /nfs/dbraw/zinc/01/43/45/571014345.db2.gz NNPDGIJHIMBCJK-RBBKRZOGSA-N 1 1 378.520 2.337 50 0 GEAAMO Cn1c(CO)nnc1C1CC[NH+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)CC1 ZINC000091551670 571014360 /nfs/dbraw/zinc/01/43/60/571014360.db2.gz IWIJOHGBBDMRSM-UHFFFAOYSA-N 1 1 387.871 2.182 50 0 GEAAMO CC[N@H+]1CCC[C@H]1C(=O)N1CCC2(CCC(=O)N(Cc3ccncc3)C2)CC1 ZINC000091656116 571023141 /nfs/dbraw/zinc/02/31/41/571023141.db2.gz LWZMHKAIFUXYBV-IBGZPJMESA-N 1 1 384.524 2.297 50 0 GEAAMO OC[C@H]1C[N@@H+](Cc2ccc3cc(Cl)ccc3n2)C[C@H]1CN1CCOCC1 ZINC000091707066 571027011 /nfs/dbraw/zinc/02/70/11/571027011.db2.gz NNQXNYPBJUKXAA-IAGOWNOFSA-N 1 1 375.900 2.261 50 0 GEAAMO COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[N@H+](Cc3ccccn3)CC1)C2 ZINC000091713462 571027524 /nfs/dbraw/zinc/02/75/24/571027524.db2.gz DTYJXFMJBXKQID-SFHVURJKSA-N 1 1 381.476 2.376 50 0 GEAAMO COc1ccc2c(c1)OC[C@@H](C(=O)N1CCC[N@@H+](Cc3ccccn3)CC1)C2 ZINC000091713462 571027528 /nfs/dbraw/zinc/02/75/28/571027528.db2.gz DTYJXFMJBXKQID-SFHVURJKSA-N 1 1 381.476 2.376 50 0 GEAAMO CCCC[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCn1nccc1C)CC2 ZINC000091894566 571035163 /nfs/dbraw/zinc/03/51/63/571035163.db2.gz SOGYTGWVHMBEBR-UHFFFAOYSA-N 1 1 384.528 2.481 50 0 GEAAMO COc1cc(OC)c(CN2CC[N@@H+](C)[C@]3(C2)CCNC(=O)CC3)cc1Cl ZINC000091895362 571035203 /nfs/dbraw/zinc/03/52/03/571035203.db2.gz KLKPVMLJTNIARF-IBGZPJMESA-N 1 1 381.904 2.144 50 0 GEAAMO COCCN1CC[C@]2(CN(CCc3cccc(F)c3)CC[N@H+]2C)CCC1=O ZINC000091943085 571037161 /nfs/dbraw/zinc/03/71/61/571037161.db2.gz NNPWACVGKHIXQL-NRFANRHFSA-N 1 1 377.504 2.013 50 0 GEAAMO COCCN1CC[C@]2(C[N@H+](CCc3cccc(F)c3)CCN2C)CCC1=O ZINC000091943085 571037163 /nfs/dbraw/zinc/03/71/63/571037163.db2.gz NNPWACVGKHIXQL-NRFANRHFSA-N 1 1 377.504 2.013 50 0 GEAAMO COCCN1CC[C@]2(C[N@@H+](CCc3cccc(F)c3)CCN2C)CCC1=O ZINC000091943085 571037164 /nfs/dbraw/zinc/03/71/64/571037164.db2.gz NNPWACVGKHIXQL-NRFANRHFSA-N 1 1 377.504 2.013 50 0 GEAAMO Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3ccccc3Cl)CC2)[nH+]1 ZINC000015671239 571040005 /nfs/dbraw/zinc/04/00/05/571040005.db2.gz OJXSBEKAFQRNPA-UHFFFAOYSA-N 1 1 395.916 2.015 50 0 GEAAMO O=C1N(CC2CC2)CCC[C@@]12CC[N@@H+](CCS(=O)(=O)c1ccccc1)C2 ZINC000092045578 571042364 /nfs/dbraw/zinc/04/23/64/571042364.db2.gz KBIKMVPWFOZPHR-FQEVSTJZSA-N 1 1 376.522 2.185 50 0 GEAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]nc1-c1ccccc1)CC2 ZINC000092045936 571042592 /nfs/dbraw/zinc/04/25/92/571042592.db2.gz YAGHEMKDWQNXET-UHFFFAOYSA-N 1 1 376.464 2.419 50 0 GEAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1c[nH]nc1-c1ccccc1)CC2 ZINC000092045936 571042594 /nfs/dbraw/zinc/04/25/94/571042594.db2.gz YAGHEMKDWQNXET-UHFFFAOYSA-N 1 1 376.464 2.419 50 0 GEAAMO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000092078539 571044439 /nfs/dbraw/zinc/04/44/39/571044439.db2.gz CKCBZPDCNGTCCH-QFIPXVFZSA-N 1 1 385.508 2.178 50 0 GEAAMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000092078539 571044441 /nfs/dbraw/zinc/04/44/41/571044441.db2.gz CKCBZPDCNGTCCH-QFIPXVFZSA-N 1 1 385.508 2.178 50 0 GEAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)c2[nH]c3ccccc3c2Cl)C[C@@H]1CO ZINC000092099000 571044942 /nfs/dbraw/zinc/04/49/42/571044942.db2.gz DOKAZLRLDIDDBP-ZIAGYGMSSA-N 1 1 379.888 2.080 50 0 GEAAMO COCC[N@@H+](C)C[C@@H]1CN(C(=O)C2c3ccccc3-c3ccccc32)C[C@@H]1CO ZINC000095353708 571051086 /nfs/dbraw/zinc/05/10/86/571051086.db2.gz SASFNEWZYBYKTA-QZTJIDSGSA-N 1 1 394.515 2.444 50 0 GEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cn(C)c3ccc(C)cc3c1=O)C2 ZINC000095355991 571051940 /nfs/dbraw/zinc/05/19/40/571051940.db2.gz OXEGNMOYXBWWDU-IAGOWNOFSA-N 1 1 383.492 2.030 50 0 GEAAMO COc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CCc2cnn(C)c2)C3)cc1 ZINC000095355298 571052078 /nfs/dbraw/zinc/05/20/78/571052078.db2.gz VURCXFHHRIGNQT-VQTJNVASSA-N 1 1 382.508 2.484 50 0 GEAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058083 /nfs/dbraw/zinc/05/80/83/571058083.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 1 1 379.932 2.389 50 0 GEAAMO COCCN1C[C@H]2CC[C@@H]1C[N@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058085 /nfs/dbraw/zinc/05/80/85/571058085.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 1 1 379.932 2.389 50 0 GEAAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](CCC(=O)NCc1ccccc1Cl)C2 ZINC000095365484 571058087 /nfs/dbraw/zinc/05/80/87/571058087.db2.gz AZESBBYTKCHQAB-FUHWJXTLSA-N 1 1 379.932 2.389 50 0 GEAAMO O=C(NCCc1nc(-c2cccnc2)n[nH]1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095365963 571058332 /nfs/dbraw/zinc/05/83/32/571058332.db2.gz CJFLZUYTTMTAEO-QGZVFWFLSA-N 1 1 376.464 2.306 50 0 GEAAMO O=C(NCCc1n[nH]c(-c2cccnc2)n1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095365963 571058334 /nfs/dbraw/zinc/05/83/34/571058334.db2.gz CJFLZUYTTMTAEO-QGZVFWFLSA-N 1 1 376.464 2.306 50 0 GEAAMO Cc1cccc2cc(C(=O)N3CC[N@@H+](C)[C@@]4(C3)CCC(=O)N(C)CC4)n(C)c21 ZINC000095365933 571058367 /nfs/dbraw/zinc/05/83/67/571058367.db2.gz ZWBYIBYUDMPLOR-QFIPXVFZSA-N 1 1 382.508 2.255 50 0 GEAAMO CN1CCN([C@H]2CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058390 /nfs/dbraw/zinc/05/83/90/571058390.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 1 1 397.567 2.083 50 0 GEAAMO CN1CCN([C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058391 /nfs/dbraw/zinc/05/83/91/571058391.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 1 1 397.567 2.083 50 0 GEAAMO NC(=O)c1ccc(OCCC[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)cc1 ZINC000095367364 571059473 /nfs/dbraw/zinc/05/94/73/571059473.db2.gz XPIFJXVPAPLZAA-RBUKOAKNSA-N 1 1 385.508 2.277 50 0 GEAAMO CN(C)[C@@H](C(=O)N1CCC2(CC1)C[N@@H+](C)CCCN2C)c1cccc(F)c1 ZINC000095368766 571059990 /nfs/dbraw/zinc/05/99/90/571059990.db2.gz CTGJFCKAINYOEZ-LJQANCHMSA-N 1 1 376.520 2.057 50 0 GEAAMO 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NC(=O)CSc1ccccc1C(=O)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000029717117 570478433 /nfs/dbraw/zinc/47/84/33/570478433.db2.gz PLNBOIXPJXZQHN-UHFFFAOYSA-N 1 1 399.516 2.026 50 0 GEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@@H+]12 ZINC000137090986 570480800 /nfs/dbraw/zinc/48/08/00/570480800.db2.gz ODNUBWQBDAOUOH-KCXPTXFHSA-N 1 1 391.402 2.257 50 0 GEAAMO O=C1Nc2ccc(F)cc2[C@@]12[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCC[N@H+]12 ZINC000137090986 570480802 /nfs/dbraw/zinc/48/08/02/570480802.db2.gz ODNUBWQBDAOUOH-KCXPTXFHSA-N 1 1 391.402 2.257 50 0 GEAAMO CN(C(=O)c1ccc(NC(=O)c2cn(C(C)(C)C)nn2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000188073740 570535289 /nfs/dbraw/zinc/53/52/89/570535289.db2.gz SUZZLUAGZBEAKT-QGZVFWFLSA-N 1 1 398.511 2.452 50 0 GEAAMO CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CO)C1)c1ccc2c(c1)OCCCO2 ZINC000034857564 570544753 /nfs/dbraw/zinc/54/47/53/570544753.db2.gz WKOVBXHQEBLHQD-KKSFZXQISA-N 1 1 376.497 2.366 50 0 GEAAMO C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCCCCC3)c2)CC1 ZINC000097617869 570555024 /nfs/dbraw/zinc/55/50/24/570555024.db2.gz UAHZZRLPJQSFTR-UHFFFAOYSA-N 1 1 379.526 2.029 50 0 GEAAMO CC[NH+](CC)C[C@@H](O)COc1ccc(CN(C)Cc2cc(C)[nH]n2)cc1OC ZINC000012433613 570661303 /nfs/dbraw/zinc/66/13/03/570661303.db2.gz STXGXRMDDJZQIU-LJQANCHMSA-N 1 1 390.528 2.440 50 0 GEAAMO CCCS(=O)(=O)N1CCN(c2nc(Nc3ccccc3)cc(C)[nH+]2)CC1 ZINC000017287074 570702661 /nfs/dbraw/zinc/70/26/61/570702661.db2.gz PYBVBGDKEUEYJZ-UHFFFAOYSA-N 1 1 375.498 2.390 50 0 GEAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CC(=O)Nc1sccc1C(N)=O ZINC000017306031 570703598 /nfs/dbraw/zinc/70/35/98/570703598.db2.gz MWKHFADXJFJNHJ-LBPRGKRZSA-N 1 1 384.465 2.059 50 0 GEAAMO C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)Nc1sccc1C(N)=O ZINC000017306031 570703601 /nfs/dbraw/zinc/70/36/01/570703601.db2.gz MWKHFADXJFJNHJ-LBPRGKRZSA-N 1 1 384.465 2.059 50 0 GEAAMO COc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C(=O)N3CCCC3)CC2)cc1OC ZINC000012793526 570714793 /nfs/dbraw/zinc/71/47/93/570714793.db2.gz SUYDNKYNTHFPPD-HNNXBMFYSA-N 1 1 389.496 2.365 50 0 GEAAMO C[N@@H+](CCNC(=O)N[C@H]1CC(=O)N(c2ccc(F)cc2)C1)Cc1ccccc1 ZINC000004374249 570720343 /nfs/dbraw/zinc/72/03/43/570720343.db2.gz HWQITQOVHXOHNA-SFHVURJKSA-N 1 1 384.455 2.362 50 0 GEAAMO COC(=O)c1ccc(N2CC[NH+](C[C@@H](O)COc3cccc(C)c3)CC2)cc1 ZINC000036470882 570721482 /nfs/dbraw/zinc/72/14/82/570721482.db2.gz ZEWCSTSLBVWUOQ-HXUWFJFHSA-N 1 1 384.476 2.344 50 0 GEAAMO COC(=O)C1=C(C[NH+]2C[C@H](C)C[C@@H](C)C2)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000013566229 570758590 /nfs/dbraw/zinc/75/85/90/570758590.db2.gz QMWZRJLRSYZWDN-PJIJBLCYSA-N 1 1 387.480 2.454 50 0 GEAAMO CC[C@]1([NH+]2CCN(C(=O)c3cccc(Cl)c3)CC2)CCN(C(=O)NC)C1 ZINC000065292059 570784984 /nfs/dbraw/zinc/78/49/84/570784984.db2.gz DGFXRHJBHGVXCS-IBGZPJMESA-N 1 1 378.904 2.292 50 0 GEAAMO COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CC[N@H+]1CC(=O)N1CCOCC1 ZINC000013776379 570789422 /nfs/dbraw/zinc/78/94/22/570789422.db2.gz OLFWINCXUYWIGW-STZQEDGTSA-N 1 1 388.508 2.222 50 0 GEAAMO O=S(=O)(c1cc(Br)ccc1F)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101337988 570819755 /nfs/dbraw/zinc/81/97/55/570819755.db2.gz LMDJJRHMUSWDPF-LBPRGKRZSA-N 1 1 375.263 2.223 50 0 GEAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000014165920 570826167 /nfs/dbraw/zinc/82/61/67/570826167.db2.gz IRQXSIVGKDVUGF-CQSZACIVSA-N 1 1 384.432 2.323 50 0 GEAAMO C[C@H](C(=O)NCc1ccc2c(c1)OCO2)[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000014165920 570826170 /nfs/dbraw/zinc/82/61/70/570826170.db2.gz IRQXSIVGKDVUGF-CQSZACIVSA-N 1 1 384.432 2.323 50 0 GEAAMO C[NH+]1CCN(C(=O)CCN2CCO[C@H](c3ccccc3C(F)(F)F)C2)CC1 ZINC000170601598 570859486 /nfs/dbraw/zinc/85/94/86/570859486.db2.gz SCTCFDKSEMCHLG-KRWDZBQOSA-N 1 1 385.430 2.243 50 0 GEAAMO Cc1noc(CN2CC[NH+](C[C@@]3(C)CCN(C(=O)OC(C)(C)C)C3)CC2)n1 ZINC000170607021 570864412 /nfs/dbraw/zinc/86/44/12/570864412.db2.gz OKOWSKAAKAVVRY-LJQANCHMSA-N 1 1 379.505 2.143 50 0 GEAAMO CCn1cc(C[NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)cn1 ZINC000014957436 570866124 /nfs/dbraw/zinc/86/61/24/570866124.db2.gz SOMOQPPXWLWINA-UHFFFAOYSA-N 1 1 377.496 2.309 50 0 GEAAMO O[C@@H](COc1ccccc1C[NH2+]CC1(O)CCCCC1)CN1CCSCC1 ZINC000014979788 570869235 /nfs/dbraw/zinc/86/92/35/570869235.db2.gz QYMFVZFXNJBRCT-LJQANCHMSA-N 1 1 394.581 2.260 50 0 GEAAMO C[C@H]1CCCC[N@H+]1Cc1ccc(C(=O)NCc2ccc3c(c2)OCO3)c(=O)[nH]1 ZINC000014983948 570869762 /nfs/dbraw/zinc/86/97/62/570869762.db2.gz BRROOSYSCAONBV-AWEZNQCLSA-N 1 1 383.448 2.408 50 0 GEAAMO O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000170613549 570871676 /nfs/dbraw/zinc/87/16/76/570871676.db2.gz SIEBWOKNGWRPHJ-HXUWFJFHSA-N 1 1 396.487 2.408 50 0 GEAAMO COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000015300729 570888153 /nfs/dbraw/zinc/88/81/53/570888153.db2.gz WHKVJPHORMPFTH-IBGZPJMESA-N 1 1 375.513 2.059 50 0 GEAAMO COc1ccc([C@@H]2CCC[N@H+]2CC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000015300729 570888156 /nfs/dbraw/zinc/88/81/56/570888156.db2.gz WHKVJPHORMPFTH-IBGZPJMESA-N 1 1 375.513 2.059 50 0 GEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)c1ccc(N2CCCS2(=O)=O)cc1 ZINC000033267923 570889410 /nfs/dbraw/zinc/88/94/10/570889410.db2.gz TWCSTWKAOCZDIC-UHFFFAOYSA-N 1 1 399.516 2.015 50 0 GEAAMO O=C(NC1CCCC1)N1CCC[N@@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097087221 570890987 /nfs/dbraw/zinc/89/09/87/570890987.db2.gz ZDAOMIVECHIROH-HXUWFJFHSA-N 1 1 384.524 2.447 50 0 GEAAMO O=C(NC1CCCC1)N1CCC[N@H+]([C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000097087221 570890990 /nfs/dbraw/zinc/89/09/90/570890990.db2.gz ZDAOMIVECHIROH-HXUWFJFHSA-N 1 1 384.524 2.447 50 0 GEAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNC(=O)Nc1cc(F)c2c(c1)NC(=O)CO2 ZINC000299796206 570896913 /nfs/dbraw/zinc/89/69/13/570896913.db2.gz NYSLSSOCTJPDNV-OAHLLOKOSA-N 1 1 384.411 2.335 50 0 GEAAMO CCC(=O)Nc1cc(C(=O)NC[C@@H]2CCC[N@@H+]2CC)c(OC)cc1N(C)C ZINC000001230735 570900180 /nfs/dbraw/zinc/90/01/80/570900180.db2.gz HFISOMDMTMMHBS-AWEZNQCLSA-N 1 1 376.501 2.324 50 0 GEAAMO Cc1nc(N(C)C)cc(N2CCN(S(=O)(=O)c3cccc(Cl)c3)CC2)[nH+]1 ZINC000015671240 570901605 /nfs/dbraw/zinc/90/16/05/570901605.db2.gz WACFEDFFJPYPND-UHFFFAOYSA-N 1 1 395.916 2.015 50 0 GEAAMO O=C(NCc1noc(C2CCCC2)n1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000534592191 570907043 /nfs/dbraw/zinc/90/70/43/570907043.db2.gz CGPYEZMPSTVMFO-INIZCTEOSA-N 1 1 377.489 2.124 50 0 GEAAMO O=C(NC1CC[NH+]([C@H]2CC(=O)N(Cc3ccccc3)C2=O)CC1)c1ccccc1 ZINC000012680210 570948458 /nfs/dbraw/zinc/94/84/58/570948458.db2.gz XCMLXLGZZCORKG-FQEVSTJZSA-N 1 1 391.471 2.209 50 0 GEAAMO COc1cc(OC)c(OC)cc1C[N@@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000019225519 570963786 /nfs/dbraw/zinc/96/37/86/570963786.db2.gz WMICEQAOIFWSGM-OAHLLOKOSA-N 1 1 388.468 2.214 50 0 GEAAMO COc1ccccc1CC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000047556374 570964653 /nfs/dbraw/zinc/96/46/53/570964653.db2.gz NVRVLECWFUNUEU-UHFFFAOYSA-N 1 1 391.512 2.297 50 0 GEAAMO C[C@H](O)C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)C[C@@H]1C ZINC000107502365 570974605 /nfs/dbraw/zinc/97/46/05/570974605.db2.gz BPONEXQTDFDOEJ-JENIJYKNSA-N 1 1 395.503 2.106 50 0 GEAAMO C[C@H](O)C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc4ccccc43)C2)C[C@@H]1C ZINC000107502365 570974608 /nfs/dbraw/zinc/97/46/08/570974608.db2.gz BPONEXQTDFDOEJ-JENIJYKNSA-N 1 1 395.503 2.106 50 0 GEAAMO C[C@H]1CN(c2ccc(C[NH2+]Cc3nc(-c4cnn(C)c4)cs3)cn2)CCO1 ZINC000252538390 570992002 /nfs/dbraw/zinc/99/20/02/570992002.db2.gz NAIWEDCTGNRWKS-AWEZNQCLSA-N 1 1 384.509 2.454 50 0 GEAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC000091474067 571009903 /nfs/dbraw/zinc/00/99/03/571009903.db2.gz XQUZNKFMAQWJJL-LLVKDONJSA-N 1 1 377.436 2.080 50 0 GEAAMO COc1ccc(OCCN2CC[N@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000084240614 571010455 /nfs/dbraw/zinc/01/04/55/571010455.db2.gz VHJBJKVSFIDRIK-INIZCTEOSA-N 1 1 379.501 2.215 50 0 GEAAMO COc1ccc(OCCN2CC[N@@H+](C)C[C@@H]2CNC(=O)OC(C)(C)C)cc1 ZINC000084240614 571010458 /nfs/dbraw/zinc/01/04/58/571010458.db2.gz VHJBJKVSFIDRIK-INIZCTEOSA-N 1 1 379.501 2.215 50 0 GEAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(C(=O)c1ccc(-c3cc[nH]n3)cc1)CC2 ZINC000091620967 571018350 /nfs/dbraw/zinc/01/83/50/571018350.db2.gz HWMLDNWBVYZCKA-UHFFFAOYSA-N 1 1 376.464 2.419 50 0 GEAAMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4c[nH]cn4)C3)C2)c(C)n1 ZINC000091644989 571021852 /nfs/dbraw/zinc/02/18/52/571021852.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 1 1 384.528 2.382 50 0 GEAAMO CCn1cc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(C)n1 ZINC000091644989 571021853 /nfs/dbraw/zinc/02/18/53/571021853.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 1 1 384.528 2.382 50 0 GEAAMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c(C)n1 ZINC000091644989 571021854 /nfs/dbraw/zinc/02/18/54/571021854.db2.gz MHRXQUBEYIPVLQ-OAQYLSRUSA-N 1 1 384.528 2.382 50 0 GEAAMO Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)c3[nH]cnc3CC[N@@H+]4C)[nH]n2)o1 ZINC000091745174 571028401 /nfs/dbraw/zinc/02/84/01/571028401.db2.gz CEFJBKBTCZONQZ-UHFFFAOYSA-N 1 1 380.452 2.321 50 0 GEAAMO CCC(=O)N1CCc2nc[nH]c2C12CC[NH+](Cc1ccc(OC)c(O)c1)CC2 ZINC000091746105 571028941 /nfs/dbraw/zinc/02/89/41/571028941.db2.gz OTOSRUTUXVCNSQ-UHFFFAOYSA-N 1 1 384.480 2.410 50 0 GEAAMO Cc1ncc(C(=O)N2CCC3(CC2)C[C@@H](c2ccccc2)C[N@H+](C)C3)c(=O)[nH]1 ZINC000091745663 571028953 /nfs/dbraw/zinc/02/89/53/571028953.db2.gz FKGLUPVSSWYHCT-GOSISDBHSA-N 1 1 380.492 2.420 50 0 GEAAMO CC(=O)N1CCc2nc[nH]c2C12CCN(Cc1nc3ccccc3n1C)CC2 ZINC000091769283 571029771 /nfs/dbraw/zinc/02/97/71/571029771.db2.gz AXVPHWRDZMBYNH-UHFFFAOYSA-N 1 1 378.480 2.192 50 0 GEAAMO Cc1ccc(-c2ccc(C(=O)N3C[C@H](CO)[C@H](C[N@@H+](C)CCO)C3)cc2)cc1 ZINC000091793290 571031338 /nfs/dbraw/zinc/03/13/38/571031338.db2.gz KGMGHNHQWOXPGA-FGZHOGPDSA-N 1 1 382.504 2.267 50 0 GEAAMO CC[N@H+]1CC[C@@H](CN(C)C(=O)c2coc(COc3ccc4c(c3)OCO4)n2)C1 ZINC000091892812 571035019 /nfs/dbraw/zinc/03/50/19/571035019.db2.gz FPJYWCFOWJRFMA-AWEZNQCLSA-N 1 1 387.436 2.396 50 0 GEAAMO Cc1c(C[N@H+]2CCC[C@]3(CCC(=O)N(Cc4cnc(C)cn4)C3)C2)cnn1C ZINC000091907435 571035504 /nfs/dbraw/zinc/03/55/04/571035504.db2.gz XFQOOJDMENRGEY-NRFANRHFSA-N 1 1 382.512 2.232 50 0 GEAAMO OCCC[C@@H]1C[N@@H+](Cc2cccc(Cn3cccn3)c2)CC[C@@H]1N1CCOCC1 ZINC000091965047 571037924 /nfs/dbraw/zinc/03/79/24/571037924.db2.gz MAIPSNJBPHIMAF-PKTZIBPZSA-N 1 1 398.551 2.227 50 0 GEAAMO COCCOCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095359340 571054148 /nfs/dbraw/zinc/05/41/48/571054148.db2.gz HVQXOYUZGNCEQM-DFQSSKMNSA-N 1 1 380.435 2.016 50 0 GEAAMO C[N@H+]1CCN(Cc2ccc(OCc3ccccn3)cc2)C[C@]12CCNC(=O)CC2 ZINC000095378338 571065722 /nfs/dbraw/zinc/06/57/22/571065722.db2.gz NPYHHBNAPSWOPQ-QHCPKHFHSA-N 1 1 394.519 2.447 50 0 GEAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](c3nnc(Cn4ccnc4)n3C)C2)c1C ZINC000095379584 571066781 /nfs/dbraw/zinc/06/67/81/571066781.db2.gz BJDBYANUCIIGAG-KRWDZBQOSA-N 1 1 382.516 2.273 50 0 GEAAMO CC[N@H+](Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1)C1CC1 ZINC000095503898 571077609 /nfs/dbraw/zinc/07/76/09/571077609.db2.gz ZXNXELXLQDWYMF-SFHVURJKSA-N 1 1 380.554 2.468 50 0 GEAAMO CC[N@@H+](Cc1ccc(OC[C@@H](O)CN2CCSCC2)c(OC)c1)C1CC1 ZINC000095503898 571077612 /nfs/dbraw/zinc/07/76/12/571077612.db2.gz ZXNXELXLQDWYMF-SFHVURJKSA-N 1 1 380.554 2.468 50 0 GEAAMO Cc1ncc(C(=O)N(C)C[C@@H]2CCC[N@@H+](CCc3ccccc3F)C2)c(=O)[nH]1 ZINC000095511967 571082559 /nfs/dbraw/zinc/08/25/59/571082559.db2.gz SSQZSQGYIRAFLO-INIZCTEOSA-N 1 1 386.471 2.244 50 0 GEAAMO O=C(CCS(=O)(=O)c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095520796 571086634 /nfs/dbraw/zinc/08/66/34/571086634.db2.gz OWDVWDXCJCDHQC-QZTJIDSGSA-N 1 1 376.522 2.183 50 0 GEAAMO O=C(C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1)NC1CCCCC1 ZINC000095525253 571090060 /nfs/dbraw/zinc/09/00/60/571090060.db2.gz GGHCIGSNNNOQIJ-WMLDXEAASA-N 1 1 376.526 2.015 50 0 GEAAMO O=C(C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1)NC1CCCCC1 ZINC000095525253 571090062 /nfs/dbraw/zinc/09/00/62/571090062.db2.gz GGHCIGSNNNOQIJ-WMLDXEAASA-N 1 1 376.526 2.015 50 0 GEAAMO C[NH+](C)C1CCN(Cc2ccccc2OC[C@H](O)CN2CCSCC2)CC1 ZINC000095531645 571093379 /nfs/dbraw/zinc/09/33/79/571093379.db2.gz GNVKRYQCLHSBFV-HXUWFJFHSA-N 1 1 393.597 2.001 50 0 GEAAMO C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000022460374 642406756 /nfs/dbraw/zinc/40/67/56/642406756.db2.gz DHZMYLVBOIKDLP-YJBOKZPZSA-N 1 1 379.551 2.404 50 0 GEAAMO C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000245548166 231041655 /nfs/dbraw/zinc/04/16/55/231041655.db2.gz NFOPZTMDPROIGN-MBOZVWFJSA-N 1 1 375.513 2.333 50 0 GEAAMO Cn1c(CN2CCC(O)CC2)nnc1[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000426486438 231227158 /nfs/dbraw/zinc/22/71/58/231227158.db2.gz QPHQUNGOBAETLJ-LJQANCHMSA-N 1 1 383.540 2.194 50 0 GEAAMO O=C1C[C@@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Br)cc1 ZINC000013591344 531560675 /nfs/dbraw/zinc/56/06/75/531560675.db2.gz BZKXXXVGVSQYCI-DZGCQCFKSA-N 1 1 381.270 2.318 50 0 GEAAMO O=C1C[C@@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Br)cc1 ZINC000013591344 531560685 /nfs/dbraw/zinc/56/06/85/531560685.db2.gz BZKXXXVGVSQYCI-DZGCQCFKSA-N 1 1 381.270 2.318 50 0 GEAAMO O=C1C[C@H]([N@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Br)cc1 ZINC000239284748 532518608 /nfs/dbraw/zinc/51/86/08/532518608.db2.gz BZKXXXVGVSQYCI-ZFWWWQNUSA-N 1 1 381.270 2.318 50 0 GEAAMO O=C1C[C@H]([N@@H+]2CCCC[C@H]2CCO)C(=O)N1c1ccc(Br)cc1 ZINC000239284748 532518614 /nfs/dbraw/zinc/51/86/14/532518614.db2.gz BZKXXXVGVSQYCI-ZFWWWQNUSA-N 1 1 381.270 2.318 50 0 GEAAMO OC[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(Br)c(F)c1 ZINC000656260059 532610451 /nfs/dbraw/zinc/61/04/51/532610451.db2.gz IJCOJZDBFCVREH-RHSMWYFYSA-N 1 1 387.293 2.465 50 0 GEAAMO O=S(=O)(c1cccc2nonc21)N1CCC[N@@H+](CCc2ccccc2)CC1 ZINC000004324608 204038557 /nfs/dbraw/zinc/03/85/57/204038557.db2.gz YDCGBDSTHLYBLM-UHFFFAOYSA-N 1 1 386.477 2.162 50 0 GEAAMO CCCCCCn1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930538 204092270 /nfs/dbraw/zinc/09/22/70/204092270.db2.gz PHAFAJDUHAYVBT-IYBDPMFKSA-N 1 1 389.544 2.492 50 0 GEAAMO CCCCCCn1c(C[N@@H+]2C[C@H](C)C[C@H](C)C2)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930538 204092275 /nfs/dbraw/zinc/09/22/75/204092275.db2.gz PHAFAJDUHAYVBT-IYBDPMFKSA-N 1 1 389.544 2.492 50 0 GEAAMO NS(=O)(=O)c1cccc(NC(=O)C[NH+]2CCC(Cc3ccccc3)CC2)c1 ZINC000005829965 204153297 /nfs/dbraw/zinc/15/32/97/204153297.db2.gz PCINFHWVUPHGQM-UHFFFAOYSA-N 1 1 387.505 2.227 50 0 GEAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797296 204206628 /nfs/dbraw/zinc/20/66/28/204206628.db2.gz OLLIUPGNMJPUPU-CALCHBBNSA-N 1 1 395.507 2.418 50 0 GEAAMO C[C@H]1CCCC[N@H+]1CCCNC(=O)Cn1c(=O)c2cccn2c2cccnc21 ZINC000006797279 204206842 /nfs/dbraw/zinc/20/68/42/204206842.db2.gz FATFJWPDKJWRTD-INIZCTEOSA-N 1 1 381.480 2.030 50 0 GEAAMO C[N@@H+](CCCNS(=O)(=O)c1ccc2[nH]c(=O)ccc2c1)Cc1ccccc1 ZINC000006748932 204199148 /nfs/dbraw/zinc/19/91/48/204199148.db2.gz MSLXVMVPCPMJDE-UHFFFAOYSA-N 1 1 385.489 2.329 50 0 GEAAMO CCCC[N@@H+](CC)CCNC(=O)[C@H]1CCCN(c2ncnc3onc(C)c32)C1 ZINC000007004703 204230341 /nfs/dbraw/zinc/23/03/41/204230341.db2.gz VYJUGYWDSLSLLC-INIZCTEOSA-N 1 1 388.516 2.381 50 0 GEAAMO CC(=O)N1CCCc2cc(S(=O)(=O)N3CCC([N@H+](C)C(C)C)CC3)ccc21 ZINC000008600750 204281324 /nfs/dbraw/zinc/28/13/24/204281324.db2.gz NZQZUQDOZOKGFW-UHFFFAOYSA-N 1 1 393.553 2.479 50 0 GEAAMO CC[C@@H](Sc1nc(N)cc(N)[nH+]1)C(=O)Nc1nnc(C(F)(F)F)s1 ZINC000008814455 204291515 /nfs/dbraw/zinc/29/15/15/204291515.db2.gz TWXVQSBIIIZWTI-SCSAIBSYSA-N 1 1 379.393 2.021 50 0 GEAAMO CN(Cc1ccco1)C(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008936377 204294750 /nfs/dbraw/zinc/29/47/50/204294750.db2.gz ARHOJIUKTMLWJL-UHFFFAOYSA-N 1 1 399.447 2.317 50 0 GEAAMO CCOc1ccc(NC(=O)NC(=O)C[NH+]2CCC(OC)CC2)cc1OCC ZINC000008923518 204294761 /nfs/dbraw/zinc/29/47/61/204294761.db2.gz LFFOOTKLPZRXCQ-UHFFFAOYSA-N 1 1 379.457 2.243 50 0 GEAAMO C[C@H](C(=O)NCc1ccco1)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000008327774 204272147 /nfs/dbraw/zinc/27/21/47/204272147.db2.gz CGJLNOASDPCTHL-CQSZACIVSA-N 1 1 399.447 2.364 50 0 GEAAMO COc1cccc([C@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1OC ZINC000009112828 204299311 /nfs/dbraw/zinc/29/93/11/204299311.db2.gz WIJPLLWKUAEDJO-SFHVURJKSA-N 1 1 395.419 2.311 50 0 GEAAMO COc1cc(OC)cc([C@@H]2NC(=[NH2+])Nc3nc4cc5c(cc4n32)OCCCO5)c1 ZINC000009156267 204300626 /nfs/dbraw/zinc/30/06/26/204300626.db2.gz AKDINSBOXBOLJM-GOSISDBHSA-N 1 1 395.419 2.311 50 0 GEAAMO CC[N@@H+](Cc1ccncc1)Cc1cccc(OC[C@H](O)CN2CCOCC2)c1 ZINC000011666057 204349052 /nfs/dbraw/zinc/34/90/52/204349052.db2.gz WOTUONDGMZBBAZ-OAQYLSRUSA-N 1 1 385.508 2.176 50 0 GEAAMO Cc1nn(C)cc1CN(C)c1ccc(C(=O)NCC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000011839867 204355707 /nfs/dbraw/zinc/35/57/07/204355707.db2.gz YUDJUMNSADXQPQ-IBGZPJMESA-N 1 1 384.528 2.364 50 0 GEAAMO O=C(CN1CCOC1=O)N1CC[C@@]2(C1)CCC[N@@H+](CCCc1ccccc1)C2 ZINC000011842426 204357079 /nfs/dbraw/zinc/35/70/79/204357079.db2.gz FFUHHYNILYLSLQ-QFIPXVFZSA-N 1 1 385.508 2.386 50 0 GEAAMO COCC(=O)N[C@@H](c1nnc2n1CC[N@H+](CC1CCCCC1)CC2)C(C)C ZINC000012218402 204383590 /nfs/dbraw/zinc/38/35/90/204383590.db2.gz MROANSPKORGZFJ-LJQANCHMSA-N 1 1 377.533 2.176 50 0 GEAAMO O=C(C[C@H]1C(=O)NCC[N@@H+]1CC1CCCCC1)NCc1cc(F)ccc1F ZINC000012315672 204395811 /nfs/dbraw/zinc/39/58/11/204395811.db2.gz SPXYIAGCDILCPL-SFHVURJKSA-N 1 1 379.451 2.352 50 0 GEAAMO Cc1cccc(C[N@@H+](CCN2CCOCC2)C[C@H](O)COCc2ccco2)c1 ZINC000036098581 205005270 /nfs/dbraw/zinc/00/52/70/205005270.db2.gz LHLLXNOHHUXLRA-NRFANRHFSA-N 1 1 388.508 2.300 50 0 GEAAMO COc1ccc(CN(C)CCO)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000039442381 205041788 /nfs/dbraw/zinc/04/17/88/205041788.db2.gz BFAVZHNITANUBS-IBGZPJMESA-N 1 1 380.529 2.125 50 0 GEAAMO CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c1C ZINC000040111490 205053529 /nfs/dbraw/zinc/05/35/29/205053529.db2.gz HDSMNMPFRVDZEQ-UHFFFAOYSA-N 1 1 396.491 2.152 50 0 GEAAMO O=C(Cn1nc(-c2ccccc2)ccc1=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079189576 205054682 /nfs/dbraw/zinc/05/46/82/205054682.db2.gz IPNHWHWIHHKACW-AZUAARDMSA-N 1 1 380.492 2.291 50 0 GEAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3cccc(N4CCNC4=O)c3)CC2)c1 ZINC000044906285 205089638 /nfs/dbraw/zinc/08/96/38/205089638.db2.gz PCGVPVFCFJKVJD-UHFFFAOYSA-N 1 1 378.476 2.483 50 0 GEAAMO COc1cccc(NC(=O)CNC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000044920578 205090692 /nfs/dbraw/zinc/09/06/92/205090692.db2.gz GRMDHVZHYNANMA-UHFFFAOYSA-N 1 1 382.464 2.161 50 0 GEAAMO COc1cccc([C@@H](CNS(=O)(=O)c2cccc3nsnc32)[NH+](C)C)c1 ZINC000047032893 205107663 /nfs/dbraw/zinc/10/76/63/205107663.db2.gz KBRYGFAAOVTFQH-OAHLLOKOSA-N 1 1 392.506 2.281 50 0 GEAAMO C[C@@H](C(=O)NC1CC1)[N@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000047261960 205109715 /nfs/dbraw/zinc/10/97/15/205109715.db2.gz ZUFBRMTUAQXMQW-RYUDHWBXSA-N 1 1 395.301 2.162 50 0 GEAAMO CO[C@@H]1CCC[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)C1 ZINC000048115569 205113261 /nfs/dbraw/zinc/11/32/61/205113261.db2.gz VUHGLSBMGTWENV-HXUWFJFHSA-N 1 1 393.491 2.487 50 0 GEAAMO CC(C)[N@@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000055167488 205143172 /nfs/dbraw/zinc/14/31/72/205143172.db2.gz JBLQFKADCGYCKS-AWEZNQCLSA-N 1 1 375.366 2.060 50 0 GEAAMO CC(C)[N@H+]1CCNC(=O)[C@@H]1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000055167488 205143177 /nfs/dbraw/zinc/14/31/77/205143177.db2.gz JBLQFKADCGYCKS-AWEZNQCLSA-N 1 1 375.366 2.060 50 0 GEAAMO C[C@H](CC[NH+]1CCOCC1)NC(=O)CCc1nc(-c2ccccc2F)no1 ZINC000055243828 205146035 /nfs/dbraw/zinc/14/60/35/205146035.db2.gz AXTPQUZUQCIRSJ-CQSZACIVSA-N 1 1 376.432 2.035 50 0 GEAAMO O=C(CNC(=O)c1cc(F)cc(F)c1)NCCC[N@H+]1CCc2ccccc2C1 ZINC000057169540 205154514 /nfs/dbraw/zinc/15/45/14/205154514.db2.gz PUCTXBXVGRVXHA-UHFFFAOYSA-N 1 1 387.430 2.259 50 0 GEAAMO CC[N@H+]1CCC[C@@H]1CN(CC(=O)Nc1cccc(Cl)c1C)CC(=O)N(C)C ZINC000057265137 205155392 /nfs/dbraw/zinc/15/53/92/205155392.db2.gz WVUBWHUNHOZDJD-MRXNPFEDSA-N 1 1 394.947 2.461 50 0 GEAAMO Cc1ncsc1C(=O)NC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000051100468 205132453 /nfs/dbraw/zinc/13/24/53/205132453.db2.gz ATHHVNVEAPOUKC-CQSZACIVSA-N 1 1 378.542 2.483 50 0 GEAAMO COC(=O)CC[N@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000058161150 205166122 /nfs/dbraw/zinc/16/61/22/205166122.db2.gz YSIRDEKIMMCDGD-SJLPKXTDSA-N 1 1 389.496 2.456 50 0 GEAAMO COC(=O)CC[N@@H+](CC(=O)NC(=O)N[C@@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000058161150 205166127 /nfs/dbraw/zinc/16/61/27/205166127.db2.gz YSIRDEKIMMCDGD-SJLPKXTDSA-N 1 1 389.496 2.456 50 0 GEAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000058174782 205166991 /nfs/dbraw/zinc/16/69/91/205166991.db2.gz YERMFQUIJQEHAG-CVEARBPZSA-N 1 1 394.516 2.229 50 0 GEAAMO CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000058174782 205166993 /nfs/dbraw/zinc/16/69/93/205166993.db2.gz YERMFQUIJQEHAG-CVEARBPZSA-N 1 1 394.516 2.229 50 0 GEAAMO Cc1nn(C)c(C)c1S(=O)(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000058245337 205169714 /nfs/dbraw/zinc/16/97/14/205169714.db2.gz RXJLXEJVERBPGL-SFHVURJKSA-N 1 1 376.526 2.227 50 0 GEAAMO O=C1CN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCN1Cc1ccc2c(c1)OCO2 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1 1 377.487 2.201 50 0 in-vitro GEAAMO C[N@@H+]1[C@@H]2C[C@@H](OC(=O)C(O)(c3cccs3)c3cccs3)C[C@H]1[C@@H]1O[C@@H]12 ZINC000100012208 570264941 /nfs/dbraw/zinc/26/49/41/570264941.db2.gz VPJFFOQGKSJBAY-FDAWXEHDSA-N 1 1 377.487 2.201 50 0 in-vitro GEAAMO Cc1nnc(-c2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc2)o1 ZINC000049543480 570268519 /nfs/dbraw/zinc/26/85/19/570268519.db2.gz GWMBEQCIIROULY-FUHWJXTLSA-N 1 1 397.479 2.364 50 0 GEAAMO CC[N@H+]1CCC[C@H]1CNC(=O)CCCn1c2ccccc2c2cnn(C)c(=O)c21 ZINC000015831044 570269887 /nfs/dbraw/zinc/26/98/87/570269887.db2.gz MFUIITYYMMWGRA-INIZCTEOSA-N 1 1 395.507 2.269 50 0 GEAAMO COCC[NH+]1CCN(Cc2c(C(=O)N3CCCCC3)nc3c(C)cccn23)CC1 ZINC000020601164 570269925 /nfs/dbraw/zinc/26/99/25/570269925.db2.gz DRSDIOPDWWGTAV-UHFFFAOYSA-N 1 1 399.539 2.033 50 0 GEAAMO CN1CC[NH+](CCCNC(=O)c2nc(-c3ccc(C(F)(F)F)cc3)no2)CC1 ZINC000020714149 570275583 /nfs/dbraw/zinc/27/55/83/570275583.db2.gz OSTIRQAQZJDJEE-UHFFFAOYSA-N 1 1 397.401 2.123 50 0 GEAAMO O=C(CN1CSCC1=O)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020892668 570283807 /nfs/dbraw/zinc/28/38/07/570283807.db2.gz CYYOPMWBJNNPKA-UHFFFAOYSA-N 1 1 395.528 2.453 50 0 GEAAMO Cc1cc(C)cc(C[N@@H+]2CCc3nnc(CNC(=O)c4ccccn4)n3CC2)c1 ZINC000020920319 570285101 /nfs/dbraw/zinc/28/51/01/570285101.db2.gz CWAXLLQLFWTVSM-UHFFFAOYSA-N 1 1 390.491 2.278 50 0 GEAAMO C[C@H](O)C[NH+]1CCN(Cc2nc(C(=O)Nc3ccc(Cl)cc3)co2)CC1 ZINC000034677536 570294388 /nfs/dbraw/zinc/29/43/88/570294388.db2.gz POZGFWBJHPRYAO-ZDUSSCGKSA-N 1 1 378.860 2.079 50 0 GEAAMO C[NH+](C)CCNC(=O)c1cccc(CN2CCN(Cc3ccccc3)CC2)c1 ZINC000034684101 570301494 /nfs/dbraw/zinc/30/14/94/570301494.db2.gz FUHFTJHAYRLDRU-UHFFFAOYSA-N 1 1 380.536 2.296 50 0 GEAAMO CSCC[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCCC1 ZINC000016021851 570308494 /nfs/dbraw/zinc/30/84/94/570308494.db2.gz OYIKPUCXVYXDHK-RTBURBONSA-N 1 1 389.565 2.388 50 0 GEAAMO CNC(=O)[C@@H]1C[C@@H](NCc2c(F)cccc2F)CN1C1Cc2ccccc2C1 ZINC000023338105 570321313 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0 GEAAMO C[NH+]1CCN(C(=O)CN2C(=O)CS[C@H]2c2ccc(C(C)(C)C)cc2)CC1 ZINC000034854782 570341048 /nfs/dbraw/zinc/34/10/48/570341048.db2.gz MFXLWTPYPOEFHR-IBGZPJMESA-N 1 1 375.538 2.332 50 0 GEAAMO Cc1ccc(C[NH+]2CCN(C(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)CC2)cc1 ZINC000034915981 570344644 /nfs/dbraw/zinc/34/46/44/570344644.db2.gz ZZDASYISZWGAAO-LJQANCHMSA-N 1 1 381.476 2.281 50 0 GEAAMO CCOc1ccc(C(=O)N2CCC3(CC2)C[N@@H+](C)CCCN3C)cc1OC ZINC000219055729 570346799 /nfs/dbraw/zinc/34/67/99/570346799.db2.gz RQPQWGMGGDADDW-UHFFFAOYSA-N 1 1 375.513 2.336 50 0 GEAAMO CCOc1ccc(C(=O)N2CCC3(CC2)CN(C)CCC[N@@H+]3C)cc1OC ZINC000219055729 570346803 /nfs/dbraw/zinc/34/68/03/570346803.db2.gz RQPQWGMGGDADDW-UHFFFAOYSA-N 1 1 375.513 2.336 50 0 GEAAMO CCOc1ccc(C(=O)N2CCC3(CC2)CN(C)CCC[N@H+]3C)cc1OC ZINC000219055729 570346807 /nfs/dbraw/zinc/34/68/07/570346807.db2.gz RQPQWGMGGDADDW-UHFFFAOYSA-N 1 1 375.513 2.336 50 0 GEAAMO COc1ccccc1N1CC[NH+](C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000023230112 570351243 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COC(=O)c1c(NC(=O)CN2CC[NH+](C)CC2)sc2c1CCCCCC2 ZINC000020220139 210324181 /nfs/dbraw/zinc/32/41/81/210324181.db2.gz PWKGYPQQFWSAFW-UHFFFAOYSA-N 1 1 379.526 2.380 50 0 GEAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2cc(Br)ccc2oc1=O ZINC000019848715 210302215 /nfs/dbraw/zinc/30/22/15/210302215.db2.gz XZNDRYGDLQMIBM-UHFFFAOYSA-N 1 1 395.253 2.008 50 0 GEAAMO CCN1CCN(C[C@@H](O)COc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000019839341 210301285 /nfs/dbraw/zinc/30/12/85/210301285.db2.gz XGNHIMACTCFBNU-OAQYLSRUSA-N 1 1 375.557 2.440 50 0 GEAAMO COc1ccc(/C=C/C[N@@H+]2CCc3nnc(CCNC(=O)C(C)C)n3CC2)cc1 ZINC000011838859 221131299 /nfs/dbraw/zinc/13/12/99/221131299.db2.gz TXERULZTMMNTJI-SNAWJCMRSA-N 1 1 397.523 2.173 50 0 GEAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)CCC(=O)N(C)C)C1 ZINC000011933867 221137282 /nfs/dbraw/zinc/13/72/82/221137282.db2.gz BPAYIYJPRGTHIG-GOSISDBHSA-N 1 1 389.540 2.277 50 0 GEAAMO Cc1cccc(N2CC[NH+](CCCNS(=O)(=O)N3CCC[C@H](C)C3)CC2)c1 ZINC000040086285 132394647 /nfs/dbraw/zinc/39/46/47/132394647.db2.gz LVCLYFKKLHUPPA-IBGZPJMESA-N 1 1 394.585 2.073 50 0 GEAAMO Cc1ccc(N2CCC([N@H+]3CCC[C@@H](C(=O)NCc4cccnc4)C3)CC2)nn1 ZINC000071762165 136166300 /nfs/dbraw/zinc/16/63/00/136166300.db2.gz ICTPEZUTVFMTCL-LJQANCHMSA-N 1 1 394.523 2.177 50 0 GEAAMO c1ccc2c(c1)CC([N@H+]1CCC[C@H](Nc3cc(N4CCOCC4)ncn3)C1)C2 ZINC000072480720 136171248 /nfs/dbraw/zinc/17/12/48/136171248.db2.gz HDJRTOQXHWKPIS-IBGZPJMESA-N 1 1 379.508 2.357 50 0 GEAAMO Cc1ccc(C(=O)[O-])c(N2CCC3(CCC(=O)N([C@@H]4CC[N@@H+](C)C4)C3)CC2)[nH+]1 ZINC000095365553 136178293 /nfs/dbraw/zinc/17/82/93/136178293.db2.gz KTWZSMVGURTBKF-MRXNPFEDSA-N 1 1 386.496 2.001 50 0 GEAAMO Cc1ccc(C(=O)[O-])c(N2CCC3(CCC(=O)N([C@@H]4CC[N@H+](C)C4)C3)CC2)[nH+]1 ZINC000095365553 136178294 /nfs/dbraw/zinc/17/82/94/136178294.db2.gz KTWZSMVGURTBKF-MRXNPFEDSA-N 1 1 386.496 2.001 50 0 GEAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCN(c2cnc3nccnc3c2)C1 ZINC000096387300 136186769 /nfs/dbraw/zinc/18/67/69/136186769.db2.gz GDCZWXNKCORVDJ-IAGOWNOFSA-N 1 1 382.512 2.232 50 0 GEAAMO Cc1cc(N2CCC(NS(=O)(=O)c3cccc(C)c3F)CC2)nc(C)[nH+]1 ZINC000181358380 136201778 /nfs/dbraw/zinc/20/17/78/136201778.db2.gz HLIZQUSBONLQMC-UHFFFAOYSA-N 1 1 378.473 2.488 50 0 GEAAMO CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[N@@H+](CCO)C[C@@H]12 ZINC000025184319 136202768 /nfs/dbraw/zinc/20/27/68/136202768.db2.gz TWLQEMWQOREMFR-FYYLOGMGSA-N 1 1 390.487 2.135 50 0 GEAAMO CCNc1cc(N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)[nH+]c(C)n1 ZINC000067602024 222150357 /nfs/dbraw/zinc/15/03/57/222150357.db2.gz KSFQHUIOTFANPK-UHFFFAOYSA-N 1 1 397.451 2.006 50 0 GEAAMO Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)CCc2ccccc2F)[C@H](O)C1 ZINC000426541213 534357434 /nfs/dbraw/zinc/35/74/34/534357434.db2.gz GCVOPWDHBVFHQK-RTBURBONSA-N 1 1 375.444 2.115 50 0 GEAAMO Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)CCc2ccccc2F)[C@H](O)C1 ZINC000426541213 534357442 /nfs/dbraw/zinc/35/74/42/534357442.db2.gz GCVOPWDHBVFHQK-RTBURBONSA-N 1 1 375.444 2.115 50 0 GEAAMO CCNc1cc(N2CCN(C(=O)c3cc4ccccc4oc3=O)CC2)[nH+]c(C)n1 ZINC000065363762 535522618 /nfs/dbraw/zinc/52/26/18/535522618.db2.gz CKNUVEOVNYHDRJ-UHFFFAOYSA-N 1 1 393.447 2.286 50 0 GEAAMO Cc1cccc(NC(=O)C2CC[NH+](Cc3cc(=O)n4ccsc4n3)CC2)n1 ZINC000048287355 570227782 /nfs/dbraw/zinc/22/77/82/570227782.db2.gz SKEQWOVSENZGNU-UHFFFAOYSA-N 1 1 383.477 2.310 50 0 GEAAMO O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)c1ccc2[nH]nnc2c1 ZINC000048368373 570248127 /nfs/dbraw/zinc/24/81/27/570248127.db2.gz GMOGIWUNBXUVNV-UHFFFAOYSA-N 1 1 378.480 2.290 50 0 GEAAMO COC(=O)c1ccc(C[N@@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104425285 570258493 /nfs/dbraw/zinc/25/84/93/570258493.db2.gz NEXDYMYWFYKZOE-OAQYLSRUSA-N 1 1 383.492 2.245 50 0 GEAAMO COC(=O)c1ccc(C[N@H+]2CCN(Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104425285 570258496 /nfs/dbraw/zinc/25/84/96/570258496.db2.gz NEXDYMYWFYKZOE-OAQYLSRUSA-N 1 1 383.492 2.245 50 0 GEAAMO COC(=O)c1ccc(CN2CC[N@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104425285 570258498 /nfs/dbraw/zinc/25/84/98/570258498.db2.gz NEXDYMYWFYKZOE-OAQYLSRUSA-N 1 1 383.492 2.245 50 0 GEAAMO COC(=O)c1ccc(CN2CC[N@@H+](Cc3cccc(C)n3)[C@H](CCO)C2)cc1 ZINC000104425285 570258500 /nfs/dbraw/zinc/25/85/00/570258500.db2.gz NEXDYMYWFYKZOE-OAQYLSRUSA-N 1 1 383.492 2.245 50 0 GEAAMO O=C(C[NH+]1CCC(c2nnc(C3CC3)o2)CC1)N1CCN(c2ccccc2)CC1 ZINC000049377579 570263361 /nfs/dbraw/zinc/26/33/61/570263361.db2.gz MLZYMCZVOKJHMX-UHFFFAOYSA-N 1 1 395.507 2.475 50 0 GEAAMO COc1cc(OC)cc(-c2onc(C)c2C(=O)NCCC[NH+]2CCOCC2)c1 ZINC000022629525 570268003 /nfs/dbraw/zinc/26/80/03/570268003.db2.gz KNWATOZSEBLQSE-UHFFFAOYSA-N 1 1 389.452 2.119 50 0 GEAAMO CC[NH+]1CCN(C(=O)[C@@H](C)n2c3ccccc3nc(C(F)(F)F)c2=O)CC1 ZINC000032944818 570298138 /nfs/dbraw/zinc/29/81/38/570298138.db2.gz KVOPABBDXCUBCA-GFCCVEGCSA-N 1 1 382.386 2.140 50 0 GEAAMO CCc1ccccc1Nc1nc(N)nc(CN2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000022786395 570327462 /nfs/dbraw/zinc/32/74/62/570327462.db2.gz YTDITFRQKVWDNB-QGZVFWFLSA-N 1 1 397.527 2.056 50 0 GEAAMO CN(C)S(=O)(=O)c1ccc(-c2ccc(CNCC[NH+]3CCCC3)o2)cc1 ZINC000022932139 570337236 /nfs/dbraw/zinc/33/72/36/570337236.db2.gz FRBHRSSZXXZRIZ-UHFFFAOYSA-N 1 1 377.510 2.382 50 0 GEAAMO Cc1cc(NC(=O)CC[NH+]2CCN(CC(=O)Nc3cccc(C)c3C)CC2)no1 ZINC000022935065 570338287 /nfs/dbraw/zinc/33/82/87/570338287.db2.gz MGVLAWRVLCZTGD-UHFFFAOYSA-N 1 1 399.495 2.185 50 0 GEAAMO COc1ccc(N2C(=O)C[C@@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000023006876 570340130 /nfs/dbraw/zinc/34/01/30/570340130.db2.gz YGPUHVDSYCFKQV-HXUWFJFHSA-N 1 1 379.460 2.145 50 0 GEAAMO CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)C(=O)NC1CCCCC1 ZINC000035380475 570347422 /nfs/dbraw/zinc/34/74/22/570347422.db2.gz OYIKPUCXVYXDHK-OALUTQOASA-N 1 1 389.565 2.388 50 0 GEAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1ccc(-c3cnc4ncnn4c3)cc1)C2 ZINC000584903962 570350661 /nfs/dbraw/zinc/35/06/61/570350661.db2.gz MUGNOFQSZMKVLO-OAQYLSRUSA-N 1 1 376.464 2.349 50 0 GEAAMO COc1ccccc1N1CC[NH+](C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000023230110 570351360 /nfs/dbraw/zinc/35/13/60/570351360.db2.gz UYHGXXBHBCRFFU-LJQANCHMSA-N 1 1 399.491 2.216 50 0 GEAAMO COc1ccccc1NC(=O)N1CC[NH+](CCn2cnc3cccnc32)CC1 ZINC000033139677 570402234 /nfs/dbraw/zinc/40/22/34/570402234.db2.gz LXFINAYBFYUDNI-UHFFFAOYSA-N 1 1 380.452 2.290 50 0 GEAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1CCN(c2ccc3nncn3n2)CC1 ZINC000033260446 570404858 /nfs/dbraw/zinc/40/48/58/570404858.db2.gz LUKTYTUUJZIYBZ-GOSISDBHSA-N 1 1 399.543 2.112 50 0 GEAAMO COc1ccc(C[N@@H+](C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C2CC2)cc1 ZINC000025065841 570405059 /nfs/dbraw/zinc/40/50/59/570405059.db2.gz NSXYDMSQUMQSED-QGZVFWFLSA-N 1 1 380.444 2.317 50 0 GEAAMO C[N@@H+](Cc1nc2ccccc2s1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230873 570408900 /nfs/dbraw/zinc/40/89/00/570408900.db2.gz IXNKWQVIVYMGMR-CYBMUJFWSA-N 1 1 381.457 2.385 50 0 GEAAMO C[N@H+](Cc1nc2ccccc2s1)C[C@@H](O)CN1C(=O)c2ccccc2C1=O ZINC000025230873 570408903 /nfs/dbraw/zinc/40/89/03/570408903.db2.gz IXNKWQVIVYMGMR-CYBMUJFWSA-N 1 1 381.457 2.385 50 0 GEAAMO CC(C)C[N@H+]1CCO[C@@H](CNC(=O)CN2c3ccccc3SC[C@H]2C)C1 ZINC000239722547 570430459 /nfs/dbraw/zinc/43/04/59/570430459.db2.gz CDFGNJJKLQNPRN-SJORKVTESA-N 1 1 377.554 2.460 50 0 GEAAMO Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CCC[NH+]1CCOCC1)CO2 ZINC000006759501 570492598 /nfs/dbraw/zinc/49/25/98/570492598.db2.gz AFNWZDMXTGDVDA-UHFFFAOYSA-N 1 1 384.476 2.464 50 0 GEAAMO Cc1ccccc1-c1nc2cnccn2c1NCCC(=O)N1CC[NH+](C)CC1 ZINC000064758948 570536068 /nfs/dbraw/zinc/53/60/68/570536068.db2.gz XRUYVOILTMAYKA-UHFFFAOYSA-N 1 1 378.480 2.281 50 0 GEAAMO O=C([C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1)N1CCOCC1 ZINC000009982241 570564069 /nfs/dbraw/zinc/56/40/69/570564069.db2.gz DFKQQXIMKBUZER-OAHLLOKOSA-N 1 1 390.871 2.461 50 0 GEAAMO O=C([C@@H]1CCC[N@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1)N1CCOCC1 ZINC000009982241 570564072 /nfs/dbraw/zinc/56/40/72/570564072.db2.gz DFKQQXIMKBUZER-OAHLLOKOSA-N 1 1 390.871 2.461 50 0 GEAAMO COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000225406266 570570729 /nfs/dbraw/zinc/57/07/29/570570729.db2.gz HYWPWQKGRKDOIY-HNNXBMFYSA-N 1 1 393.447 2.334 50 0 GEAAMO COC(=O)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000225406266 570570734 /nfs/dbraw/zinc/57/07/34/570570734.db2.gz HYWPWQKGRKDOIY-HNNXBMFYSA-N 1 1 393.447 2.334 50 0 GEAAMO CCN(C)C(=O)[C@@H](C1CCCC1)[NH+]1CCN(C(=O)c2ccccc2OC)CC1 ZINC000036251056 570587629 /nfs/dbraw/zinc/58/76/29/570587629.db2.gz ZNZFUXYBYQUVIJ-HXUWFJFHSA-N 1 1 387.524 2.490 50 0 GEAAMO CC[C@H](O)C[N@@H+]1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(OC)cc2)C1 ZINC000169679321 570600689 /nfs/dbraw/zinc/60/06/89/570600689.db2.gz LCKMYWRDBIVLSV-AZUAARDMSA-N 1 1 378.513 2.265 50 0 GEAAMO CC[C@H](O)C[N@H+]1CCO[C@@H](CN(CC(C)C)C(=O)c2ccc(OC)cc2)C1 ZINC000169679321 570600694 /nfs/dbraw/zinc/60/06/94/570600694.db2.gz LCKMYWRDBIVLSV-AZUAARDMSA-N 1 1 378.513 2.265 50 0 GEAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3ccc(=O)n(C)n3)C2)cc1 ZINC000012055878 570602640 /nfs/dbraw/zinc/60/26/40/570602640.db2.gz FUYYUVHKBWXSBP-LJQANCHMSA-N 1 1 382.508 2.373 50 0 GEAAMO O=C(NCc1nnc2n1CC[N@H+](CCCc1ccccc1)CC2)c1ccccn1 ZINC000012099322 570608644 /nfs/dbraw/zinc/60/86/44/570608644.db2.gz WQNBFHKGDDNJBD-UHFFFAOYSA-N 1 1 390.491 2.094 50 0 GEAAMO O=C(c1cnc2sccn2c1=O)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000043112363 570625660 /nfs/dbraw/zinc/62/56/60/570625660.db2.gz UPCJRIOBVKOQDF-UHFFFAOYSA-N 1 1 386.452 2.243 50 0 GEAAMO O=C(c1cnc2sccn2c1=O)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000043112363 570625663 /nfs/dbraw/zinc/62/56/63/570625663.db2.gz UPCJRIOBVKOQDF-UHFFFAOYSA-N 1 1 386.452 2.243 50 0 GEAAMO O=C(NCC[N@@H+]1CCC[C@H](O)C1)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012429436 570658066 /nfs/dbraw/zinc/65/80/66/570658066.db2.gz XRQSATSKQCPNTL-ZDUSSCGKSA-N 1 1 397.834 2.233 50 0 GEAAMO Cn1cnnc1SCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012429759 570658633 /nfs/dbraw/zinc/65/86/33/570658633.db2.gz WNPGOHYXRAGHKQ-NRFANRHFSA-N 1 1 399.564 2.464 50 0 GEAAMO Cc1csc(N2CCC[N@@H+](C[C@@H](O)c3ccc4c(c3)OCCO4)CC2)n1 ZINC000229646966 570665701 /nfs/dbraw/zinc/66/57/01/570665701.db2.gz LETRYTUDLGRRTK-MRXNPFEDSA-N 1 1 375.494 2.468 50 0 GEAAMO CNC(=O)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CN(C(=O)OC(C)(C)C)C(C)C)C1 ZINC000229839287 570666970 /nfs/dbraw/zinc/66/69/70/570666970.db2.gz AVSJMVZTVWUJSQ-HUUCEWRRSA-N 1 1 384.521 2.188 50 0 GEAAMO COc1cc(C)ccc1OCCN1CC[N@@H+](C)[C@]2(C1)CCC(=O)N(C)CC2 ZINC000230191111 570668390 /nfs/dbraw/zinc/66/83/90/570668390.db2.gz DCOGQJWSBGVDDY-OAQYLSRUSA-N 1 1 375.513 2.011 50 0 GEAAMO Cc1sc2nc(CN3CCOCC3)nc(N3CCC[N@H+](C)CC3)c2c1C ZINC000046341326 570670925 /nfs/dbraw/zinc/67/09/25/570670925.db2.gz IWQWCNAYUVDVFO-UHFFFAOYSA-N 1 1 375.542 2.282 50 0 GEAAMO CCOC(=O)C1=C(C[NH+]2CCCCC2)NC(=O)N[C@@H]1c1ccc2c(c1)OCO2 ZINC000054979050 570678939 /nfs/dbraw/zinc/67/89/39/570678939.db2.gz JHLUAITXEGGTQT-GOSISDBHSA-N 1 1 387.436 2.072 50 0 GEAAMO CC(C)Cc1cc(C(=O)N[C@H]2CCC[N@H+](C3Cc4ccccc4C3)C2)[nH]c(=O)n1 ZINC000012571488 570680783 /nfs/dbraw/zinc/68/07/83/570680783.db2.gz GAUJEOFEYVENIC-SFHVURJKSA-N 1 1 394.519 2.330 50 0 GEAAMO CC(C)(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000012571111 570681071 /nfs/dbraw/zinc/68/10/71/570681071.db2.gz GPWISRDIIFRLED-IBGZPJMESA-N 1 1 382.508 2.289 50 0 GEAAMO CC(C)(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000012571111 570681074 /nfs/dbraw/zinc/68/10/74/570681074.db2.gz GPWISRDIIFRLED-IBGZPJMESA-N 1 1 382.508 2.289 50 0 GEAAMO CCCCOC(=O)c1ccc(NC(=O)C[C@@H]2[NH2+][C@@H]3CCCC[C@H]3NC2=O)cc1 ZINC000239125156 570681242 /nfs/dbraw/zinc/68/12/42/570681242.db2.gz KACGZIBEUJYNHK-KURKYZTESA-N 1 1 387.480 2.371 50 0 GEAAMO COc1ccc(C(=O)N2CC[NH+](C[C@@H](O)CC3CCCC3)CC2)c(OC)c1 ZINC000240897328 570685461 /nfs/dbraw/zinc/68/54/61/570685461.db2.gz ISFJGKHVXPORBN-KRWDZBQOSA-N 1 1 376.497 2.403 50 0 GEAAMO CC(C)[N@@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000055167492 570685678 /nfs/dbraw/zinc/68/56/78/570685678.db2.gz JBLQFKADCGYCKS-CQSZACIVSA-N 1 1 375.366 2.060 50 0 GEAAMO CC(C)[N@H+]1CCNC(=O)[C@H]1CC(=O)NCc1ccc(F)c(C(F)(F)F)c1 ZINC000055167492 570685681 /nfs/dbraw/zinc/68/56/81/570685681.db2.gz JBLQFKADCGYCKS-CQSZACIVSA-N 1 1 375.366 2.060 50 0 GEAAMO O=C(C1=NNC(=O)CC1)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000012590228 570686549 /nfs/dbraw/zinc/68/65/49/570686549.db2.gz GKLREKOPBQMJJM-HXUWFJFHSA-N 1 1 390.434 2.045 50 0 GEAAMO O=C(C1=NNC(=O)CC1)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000012590228 570686552 /nfs/dbraw/zinc/68/65/52/570686552.db2.gz GKLREKOPBQMJJM-HXUWFJFHSA-N 1 1 390.434 2.045 50 0 GEAAMO CCn1cc(C[N@@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cn1 ZINC000012590110 570686558 /nfs/dbraw/zinc/68/65/58/570686558.db2.gz BEKSVVVCPJBIRM-MRXNPFEDSA-N 1 1 392.525 2.102 50 0 GEAAMO CCn1cc(C[N@H+]2CCC[C@H](CNS(=O)(=O)c3ccc(OC)cc3)C2)cn1 ZINC000012590110 570686561 /nfs/dbraw/zinc/68/65/61/570686561.db2.gz BEKSVVVCPJBIRM-MRXNPFEDSA-N 1 1 392.525 2.102 50 0 GEAAMO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)CC1 ZINC000012706915 570700586 /nfs/dbraw/zinc/70/05/86/570700586.db2.gz OTXXIKRXHUFMCR-GOSISDBHSA-N 1 1 390.503 2.300 50 0 GEAAMO CN(C)C(=O)N1CCC(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)CC1 ZINC000012706915 570700588 /nfs/dbraw/zinc/70/05/88/570700588.db2.gz OTXXIKRXHUFMCR-GOSISDBHSA-N 1 1 390.503 2.300 50 0 GEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(C(=O)c2cc(C)on2)CC1 ZINC000012708491 570701606 /nfs/dbraw/zinc/70/16/06/570701606.db2.gz MEZGIEALJLYXKD-QGZVFWFLSA-N 1 1 376.501 2.216 50 0 GEAAMO O=C(C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000058174303 570715872 /nfs/dbraw/zinc/71/58/72/570715872.db2.gz TZKWAHQLZJFSOV-GOSISDBHSA-N 1 1 398.507 2.370 50 0 GEAAMO O=C(C[N@H+]1CCCC[C@@H]1Cc1ccccc1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000058174303 570715874 /nfs/dbraw/zinc/71/58/74/570715874.db2.gz TZKWAHQLZJFSOV-GOSISDBHSA-N 1 1 398.507 2.370 50 0 GEAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)c1ccc(C(=O)NC)cc1)c1ccco1 ZINC000058195341 570718287 /nfs/dbraw/zinc/71/82/87/570718287.db2.gz ATNKWGYZUGVFFR-INIZCTEOSA-N 1 1 379.482 2.001 50 0 GEAAMO Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000058277534 570724185 /nfs/dbraw/zinc/72/41/85/570724185.db2.gz ZAHRTRLZRNDHQN-GJZGRUSLSA-N 1 1 381.904 2.119 50 0 GEAAMO CCS(=O)(=O)c1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2C)nc1 ZINC000059919240 570739690 /nfs/dbraw/zinc/73/96/90/570739690.db2.gz ZSAJKMBZTQRVKI-UHFFFAOYSA-N 1 1 384.461 2.299 50 0 GEAAMO CCc1nnc(-c2nnc(NCCCN3CC[NH+](C)CC3)c3ccccc32)o1 ZINC000065258201 570759844 /nfs/dbraw/zinc/75/98/44/570759844.db2.gz PYTXLHYSRFBRGX-UHFFFAOYSA-N 1 1 381.484 2.292 50 0 GEAAMO O=C(c1cc(-c2ccc(Cl)cc2)nc2ncnn21)N1CC[N@H+]2CCC[C@H]2C1 ZINC000036619540 570761941 /nfs/dbraw/zinc/76/19/41/570761941.db2.gz MBECZNJZMFYGIM-HNNXBMFYSA-N 1 1 382.855 2.365 50 0 GEAAMO FC(F)(F)Oc1ccc(C[NH+]2CCN(c3cnn4cnnc4c3)CC2)cc1 ZINC000065282472 570780226 /nfs/dbraw/zinc/78/02/26/570780226.db2.gz VZTZGKYQVSSTNB-UHFFFAOYSA-N 1 1 378.358 2.345 50 0 GEAAMO O=C(CSc1nnnn1-c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000007339978 570830794 /nfs/dbraw/zinc/83/07/94/570830794.db2.gz PGFKZXWHOXBNEP-QGZVFWFLSA-N 1 1 394.504 2.145 50 0 GEAAMO COc1ccc(CC[N@@H+](C)[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)cc1OC ZINC000007390330 570836570 /nfs/dbraw/zinc/83/65/70/570836570.db2.gz DJDDKTUFLLQGOW-AWEZNQCLSA-N 1 1 385.464 2.304 50 0 GEAAMO CCOC(=O)C(=CN[C@H](C)[C@@H](c1ccccc1)[NH+]1CCOCC1)C(=O)OCC ZINC000102142463 570842100 /nfs/dbraw/zinc/84/21/00/570842100.db2.gz LLXFIWDDKJOCFL-APWZRJJASA-N 1 1 390.480 2.048 50 0 GEAAMO C[C@@H]([NH2+][C@]1(C)CCS(=O)(=O)C1)C(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000012545565 570846424 /nfs/dbraw/zinc/84/64/24/570846424.db2.gz HPUCGZIARYXGDP-DNVCBOLYSA-N 1 1 379.526 2.171 50 0 GEAAMO C[C@@H]1C[N@H+](CC2CCN(C(=O)C(=O)N3[C@H](C)CCC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000170597844 570856096 /nfs/dbraw/zinc/85/60/96/570856096.db2.gz VDDFYRUAOSYGIE-USTZCAOPSA-N 1 1 379.545 2.124 50 0 GEAAMO Cn1cc(CNc2ccc(C(=O)N3CC[NH+](C)CC3)cc2)c(-c2cccnc2)n1 ZINC000170616140 570874666 /nfs/dbraw/zinc/87/46/66/570874666.db2.gz LZZUCVRUYJAKGV-UHFFFAOYSA-N 1 1 390.491 2.482 50 0 GEAAMO CO[C@]12CC[N@H+](Cc3nccs3)[C@H]1C[C@H](NC(=O)c1cnoc1C)CC2 ZINC000534644207 570909665 /nfs/dbraw/zinc/90/96/65/570909665.db2.gz AJAUACNCWLHPFI-QIIPPGSGSA-N 1 1 376.482 2.382 50 0 GEAAMO CO[C@]12CC[N@@H+](Cc3nccs3)[C@H]1C[C@H](NC(=O)c1cnoc1C)CC2 ZINC000534644207 570909668 /nfs/dbraw/zinc/90/96/68/570909668.db2.gz AJAUACNCWLHPFI-QIIPPGSGSA-N 1 1 376.482 2.382 50 0 GEAAMO C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000046971781 570937563 /nfs/dbraw/zinc/93/75/63/570937563.db2.gz CHKGJUSIKRHOCS-APWZRJJASA-N 1 1 387.524 2.348 50 0 GEAAMO CCc1ccc(S(=O)(=O)NCc2ccc(C[NH+]3CCN(C)CC3)cc2)cc1 ZINC000032932855 570945464 /nfs/dbraw/zinc/94/54/64/570945464.db2.gz RQGOVHZYNACHAW-UHFFFAOYSA-N 1 1 387.549 2.475 50 0 GEAAMO Cc1nc2cccnc2n1-c1cc(C(=O)NCCC[NH+]2CCOCC2)ccc1C ZINC000032931987 570946574 /nfs/dbraw/zinc/94/65/74/570946574.db2.gz WWIPTNXTNREJAU-UHFFFAOYSA-N 1 1 393.491 2.489 50 0 GEAAMO Cc1nn(-c2ccc(F)cc2F)c(C)c1C(=O)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000106166907 570949374 /nfs/dbraw/zinc/94/93/74/570949374.db2.gz BOLFQRDNJHMMDZ-JKSUJKDBSA-N 1 1 390.434 2.360 50 0 GEAAMO CN(C)C(=O)COc1cccc(C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000083844099 570968623 /nfs/dbraw/zinc/96/86/23/570968623.db2.gz DAZIAEUUCYNAEK-XLIONFOSSA-N 1 1 385.508 2.243 50 0 GEAAMO COCCC[N@H+]1CCc2nc(SCC(=O)Nc3ccccc3)[nH]c(=O)c2C1 ZINC000033331758 570987517 /nfs/dbraw/zinc/98/75/17/570987517.db2.gz CTHZBCUNGXUMHW-UHFFFAOYSA-N 1 1 388.493 2.308 50 0 GEAAMO C[C@H]1CN(c2ccc(CNC(=O)N3CC[N@H+](C)Cc4ccccc43)cn2)CCO1 ZINC000252533019 570989750 /nfs/dbraw/zinc/98/97/50/570989750.db2.gz FSXXWKHXEMQGTQ-KRWDZBQOSA-N 1 1 395.507 2.468 50 0 GEAAMO C[C@H]1CN(c2ccc(CNC(=O)N3CC[N@@H+](C)Cc4ccccc43)cn2)CCO1 ZINC000252533019 570989753 /nfs/dbraw/zinc/98/97/53/570989753.db2.gz FSXXWKHXEMQGTQ-KRWDZBQOSA-N 1 1 395.507 2.468 50 0 GEAAMO O=C(CC[NH+]1CCN(Cc2nnc(-c3ccccc3Cl)o2)CC1)NC1CC1 ZINC000084514890 571021041 /nfs/dbraw/zinc/02/10/41/571021041.db2.gz WKPPADZCPOMEOY-UHFFFAOYSA-N 1 1 389.887 2.176 50 0 GEAAMO CC[C@@H](C)[C@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000084721604 571033413 /nfs/dbraw/zinc/03/34/13/571033413.db2.gz VKCQPJVBMYPIDZ-CTNGQTDRSA-N 1 1 375.557 2.323 50 0 GEAAMO C[C@@H]1CN([C@@H](CNC(=O)[C@@H]2CSC[NH2+]2)c2c(F)cccc2Cl)CCO1 ZINC000195155361 571033972 /nfs/dbraw/zinc/03/39/72/571033972.db2.gz LNYQNTGNWIVBST-UGFHNGPFSA-N 1 1 387.908 2.020 50 0 GEAAMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000040105098 642520560 /nfs/dbraw/zinc/52/05/60/642520560.db2.gz RBUUTUHZYASSFL-ZDUSSCGKSA-N 1 1 376.881 2.355 50 0 GEAAMO O=S(=O)(c1ccc(F)c(Cl)c1)N1CCC[N@@H+](C[C@@H]2CCCO2)CC1 ZINC000040105098 642520570 /nfs/dbraw/zinc/52/05/70/642520570.db2.gz RBUUTUHZYASSFL-ZDUSSCGKSA-N 1 1 376.881 2.355 50 0 GEAAMO COC[C@@H]1C[N@@H+](C)CC12CCN(C(=O)c1cncc(Br)c1)CC2 ZINC000169789824 644282834 /nfs/dbraw/zinc/28/28/34/644282834.db2.gz PMAHHOFONJRVFO-AWEZNQCLSA-N 1 1 382.302 2.275 50 0 GEAAMO Cc1ccc(NCCCNS(=O)(=O)c2ccc3[nH]c(=O)sc3c2)[nH+]c1 ZINC000670460043 652750169 /nfs/dbraw/zinc/75/01/69/652750169.db2.gz GTIAZQKZXICJEZ-UHFFFAOYSA-N 1 1 378.479 2.486 50 0 GEAAMO CN(C)c1ccc(N2C(=O)C[C@H](N3CC[NH+](Cc4ccccc4)CC3)C2=O)cc1 ZINC000019360905 210245079 /nfs/dbraw/zinc/24/50/79/210245079.db2.gz AAOWCPFGSZGHMI-NRFANRHFSA-N 1 1 392.503 2.202 50 0 GEAAMO COCCN(Cc1c(C)nn(C)c1C)C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000426397666 231213597 /nfs/dbraw/zinc/21/35/97/231213597.db2.gz XEQZHHILGSOTEG-SFHVURJKSA-N 1 1 379.549 2.315 50 0 GEAAMO Cc1ccc(F)c(C[N@@H+]2CCC[C@H](c3nnc(CN4CCOCC4)n3C)C2)c1 ZINC000426473688 231224760 /nfs/dbraw/zinc/22/47/60/231224760.db2.gz USTZCNVMRBIYGG-KRWDZBQOSA-N 1 1 387.503 2.474 50 0 GEAAMO O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(C[NH+]2CCOCC2)cc1 ZINC000018217140 210217938 /nfs/dbraw/zinc/21/79/38/210217938.db2.gz GZRCROGJTBXRDU-UHFFFAOYSA-N 1 1 382.460 2.149 50 0 GEAAMO C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC(=O)NCc1ccc2c(c1)OCO2 ZINC000017305754 210208122 /nfs/dbraw/zinc/20/81/22/210208122.db2.gz MDOYBAYRHKJTRI-OAHLLOKOSA-N 1 1 393.447 2.305 50 0 GEAAMO CNc1nc(-c2ccc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)cc2)ncc1F ZINC000426490398 529835914 /nfs/dbraw/zinc/83/59/14/529835914.db2.gz DQTJEOFCALVPNH-AWEZNQCLSA-N 1 1 383.471 2.445 50 0 GEAAMO CC(C)C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000015070023 210149185 /nfs/dbraw/zinc/14/91/85/210149185.db2.gz IBPKLAIHLIQRFA-IBGZPJMESA-N 1 1 391.487 2.042 50 0 GEAAMO CC(C)C[N@H+]1CCNC(=O)[C@@H]1CC(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000015070023 210149188 /nfs/dbraw/zinc/14/91/88/210149188.db2.gz IBPKLAIHLIQRFA-IBGZPJMESA-N 1 1 391.487 2.042 50 0 GEAAMO Cc1noc(C)c1CCCNC(=O)c1ccc(N2CC[N@H+]3CCC[C@@H]3C2)nc1 ZINC000015067934 210148332 /nfs/dbraw/zinc/14/83/32/210148332.db2.gz CRSSBBMYYQBZLV-GOSISDBHSA-N 1 1 383.496 2.333 50 0 GEAAMO COc1ccc(CN(C)Cc2ccon2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015068880 210147732 /nfs/dbraw/zinc/14/77/32/210147732.db2.gz VGOUNITTXJJXCP-SFHVURJKSA-N 1 1 377.485 2.395 50 0 GEAAMO CCOC(=O)CNC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000014968413 210136894 /nfs/dbraw/zinc/13/68/94/210136894.db2.gz NWIOFWBMCWDLJS-SFHVURJKSA-N 1 1 391.512 2.154 50 0 GEAAMO CCOC(=O)CNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000014968417 210136500 /nfs/dbraw/zinc/13/65/00/210136500.db2.gz NWIOFWBMCWDLJS-GOSISDBHSA-N 1 1 391.512 2.154 50 0 GEAAMO O=C([C@@H]1C[C@H](CN2CCOCC2)C[N@@H+](CCc2ccccc2)C1)N1CCCC1 ZINC000014731621 210125344 /nfs/dbraw/zinc/12/53/44/210125344.db2.gz IIEZHSZTBSPMNM-FGZHOGPDSA-N 1 1 385.552 2.122 50 0 GEAAMO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([N@H+](C)Cc1ccon1)C2 ZINC000014535069 210120200 /nfs/dbraw/zinc/12/02/00/210120200.db2.gz DKEWHHMANRXQMH-MRXNPFEDSA-N 1 1 397.454 2.467 50 0 GEAAMO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@@H]([N@@H+](C)Cc1ccon1)C2 ZINC000014535069 210120206 /nfs/dbraw/zinc/12/02/06/210120206.db2.gz DKEWHHMANRXQMH-MRXNPFEDSA-N 1 1 397.454 2.467 50 0 GEAAMO COc1cc(C[N@H+](CC(=O)NC(=O)NC(C)C)C2CC2)ccc1OC(F)F 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COc1cc(C[N@@H+]2CCc3nnc([C@H](C)NC(=O)C(C)C)n3CC2)ccc1F ZINC000012282747 570632864 /nfs/dbraw/zinc/63/28/64/570632864.db2.gz RNOQSOHSJDSNCK-AWEZNQCLSA-N 1 1 389.475 2.317 50 0 GEAAMO CC[C@H]1C[N@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CCO1 ZINC000048315062 570657459 /nfs/dbraw/zinc/65/74/59/570657459.db2.gz MLQZLDRYVMTMQQ-FQEVSTJZSA-N 1 1 393.491 2.487 50 0 GEAAMO CC[C@H]1C[N@@H+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[nH]3)cc2)CCO1 ZINC000048315062 570657461 /nfs/dbraw/zinc/65/74/61/570657461.db2.gz MLQZLDRYVMTMQQ-FQEVSTJZSA-N 1 1 393.491 2.487 50 0 GEAAMO CC[NH+](CC)[C@@H](CNS(=O)(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccsc1 ZINC000036391142 570673040 /nfs/dbraw/zinc/67/30/40/570673040.db2.gz XWYKDMRZBKTZAA-LZWOXQAQSA-N 1 1 375.560 2.075 50 0 GEAAMO COc1ccc2[nH]c(=O)c(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc2c1 ZINC000036398385 570683521 /nfs/dbraw/zinc/68/35/21/570683521.db2.gz MJAOTWIJEKQMEE-UHFFFAOYSA-N 1 1 377.444 2.495 50 0 GEAAMO COc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000155797882 570688108 /nfs/dbraw/zinc/68/81/08/570688108.db2.gz BOCANDOBFBKDJK-QGZVFWFLSA-N 1 1 379.464 2.234 50 0 GEAAMO COc1cccc(CNC(=O)C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c1 ZINC000155797882 570688110 /nfs/dbraw/zinc/68/81/10/570688110.db2.gz BOCANDOBFBKDJK-QGZVFWFLSA-N 1 1 379.464 2.234 50 0 GEAAMO COC[C@H]1CCC[N@@H+](CCNC(=O)c2cnn(-c3ccccc3OC)c2C)C1 ZINC000242191350 570688770 /nfs/dbraw/zinc/68/87/70/570688770.db2.gz XEVZTGNYFQDONQ-KRWDZBQOSA-N 1 1 386.496 2.278 50 0 GEAAMO CC[N@H+](Cc1ccc(OCC(=O)N2CCOCC2)cc1)CC1CCOCC1 ZINC000055360131 570692188 /nfs/dbraw/zinc/69/21/88/570692188.db2.gz YNGHQJXXESRDJN-UHFFFAOYSA-N 1 1 376.497 2.173 50 0 GEAAMO COC(=O)CC[N@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000058161148 570712826 /nfs/dbraw/zinc/71/28/26/570712826.db2.gz YSIRDEKIMMCDGD-AEFFLSMTSA-N 1 1 389.496 2.456 50 0 GEAAMO COC(=O)CC[N@@H+](CC(=O)NC(=O)N[C@H]1CCCC[C@H]1C)Cc1ccccc1 ZINC000058161148 570712828 /nfs/dbraw/zinc/71/28/28/570712828.db2.gz YSIRDEKIMMCDGD-AEFFLSMTSA-N 1 1 389.496 2.456 50 0 GEAAMO Cc1sc2nc(CCC(=O)NCC[N@@H+]3CCC[C@@H](C)C3)[nH]c(=O)c2c1C ZINC000058195533 570718477 /nfs/dbraw/zinc/71/84/77/570718477.db2.gz DXDMEPLLVWVZHM-GFCCVEGCSA-N 1 1 376.526 2.382 50 0 GEAAMO CCCC(=O)NC[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)C1 ZINC000058218173 570721452 /nfs/dbraw/zinc/72/14/52/570721452.db2.gz GFKNVGWGKHBPPG-INIZCTEOSA-N 1 1 389.496 2.348 50 0 GEAAMO CCCC(=O)NC[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)OC)ccc2C)C1 ZINC000058218173 570721456 /nfs/dbraw/zinc/72/14/56/570721456.db2.gz GFKNVGWGKHBPPG-INIZCTEOSA-N 1 1 389.496 2.348 50 0 GEAAMO CCn1nc(C)c(NC(=O)C[N@@H+](C)C[C@@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000252510019 570729236 /nfs/dbraw/zinc/72/92/36/570729236.db2.gz ZAHZYQXDJKKMDF-INIZCTEOSA-N 1 1 375.517 2.181 50 0 GEAAMO CCn1nc(C)c(CN(CCOC)C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)c1C ZINC000063833862 570750792 /nfs/dbraw/zinc/75/07/92/570750792.db2.gz XUKVZEOINDZYSN-NHCUHLMSSA-N 1 1 378.561 2.348 50 0 GEAAMO COc1ccc(CC(=O)NCCNc2cc(-n3ccnc3C)nc(C)[nH+]2)cc1 ZINC000096544711 570756843 /nfs/dbraw/zinc/75/68/43/570756843.db2.gz WOOGRIFZSWWADY-UHFFFAOYSA-N 1 1 380.452 2.059 50 0 GEAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2ccc(CN(C)S(C)(=O)=O)o2)C[C@H]1O ZINC000065393554 570764632 /nfs/dbraw/zinc/76/46/32/570764632.db2.gz UNCBRMUFGGTUND-IAGOWNOFSA-N 1 1 398.550 2.391 50 0 GEAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCn2nc(C(=O)Nc3ccccc3)cc2C1 ZINC000065458569 570769765 /nfs/dbraw/zinc/76/97/65/570769765.db2.gz DZBFNBIVWCQGRH-AWEZNQCLSA-N 1 1 378.436 2.244 50 0 GEAAMO Cc1ccc(-c2nccn3cc(C(=O)NCCC[NH+]4CCOCC4)nc23)cc1 ZINC000065274591 570776808 /nfs/dbraw/zinc/77/68/08/570776808.db2.gz YDXGFSGCAJXLNT-UHFFFAOYSA-N 1 1 379.464 2.157 50 0 GEAAMO Cc1scc2nc(C(=O)N3CC[NH+](C(C)C)CC3)nc(N3CCOCC3)c12 ZINC000065283322 570780583 /nfs/dbraw/zinc/78/05/83/570780583.db2.gz AYINOGXHHLNNQW-UHFFFAOYSA-N 1 1 389.525 2.003 50 0 GEAAMO Cc1ccccc1C[NH+]1CCN(C(=O)CNC(=O)NCc2ccccc2)CC1 ZINC000018110807 570800049 /nfs/dbraw/zinc/80/00/49/570800049.db2.gz OBYFILZNWHRBPC-UHFFFAOYSA-N 1 1 380.492 2.139 50 0 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570861780 /nfs/dbraw/zinc/86/17/80/570861780.db2.gz LCQOSPHSBUAPDY-QGZVFWFLSA-N 1 1 378.492 2.014 50 0 GEAAMO Cc1cccc(C[NH+]2CCN([C@@H]3CC(=O)N(Cc4ccccc4)C3=O)CC2)c1 ZINC000103418702 570884029 /nfs/dbraw/zinc/88/40/29/570884029.db2.gz FQIHZMTUWPQWOI-OAQYLSRUSA-N 1 1 377.488 2.440 50 0 GEAAMO Cc1cccc(-c2nc3[nH]c(C[N@@H+](CCO)Cc4ccccc4)cc(=O)n3n2)c1 ZINC000101748092 570901551 /nfs/dbraw/zinc/90/15/51/570901551.db2.gz BIJYOUWORADBPN-UHFFFAOYSA-N 1 1 389.459 2.388 50 0 GEAAMO O=C(NCC[N@H+]1CCc2ccccc2C1)N1CCOc2ccc(CO)cc2C1 ZINC000534656715 570915920 /nfs/dbraw/zinc/91/59/20/570915920.db2.gz WEZFHFNUHVTYBC-UHFFFAOYSA-N 1 1 381.476 2.141 50 0 GEAAMO C[C@H]1C[C@@H]1c1ccc(CCC(=O)N2CCC(C(=O)N3CC[NH+](C)CC3)CC2)o1 ZINC000046971784 570937398 /nfs/dbraw/zinc/93/73/98/570937398.db2.gz CHKGJUSIKRHOCS-LPHOPBHVSA-N 1 1 387.524 2.348 50 0 GEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)C2CCN(C(=O)c3ccoc3)CC2)ccn1 ZINC000047012102 570938468 /nfs/dbraw/zinc/93/84/68/570938468.db2.gz VJXAENOGRYHTJA-UHFFFAOYSA-N 1 1 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/nfs/dbraw/zinc/36/58/08/570365808.db2.gz WPVHPVOICOMMKG-HNNXBMFYSA-N 1 1 379.464 2.466 50 0 GEAAMO CCCCCn1c(C[N@@H+]2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930351 570371952 /nfs/dbraw/zinc/37/19/52/570371952.db2.gz FUVFXEPSEJYQLP-HNNXBMFYSA-N 1 1 375.517 2.388 50 0 GEAAMO CCCCCn1c(C[N@H+]2CCCC[C@@H]2CC)nc2c1c(=O)n(C)c(=O)n2C ZINC000004930351 570371953 /nfs/dbraw/zinc/37/19/53/570371953.db2.gz FUVFXEPSEJYQLP-HNNXBMFYSA-N 1 1 375.517 2.388 50 0 GEAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(OCc2cn3ccccc3n2)cc1 ZINC000023818982 570373178 /nfs/dbraw/zinc/37/31/78/570373178.db2.gz JWSVNVWVMZKMPD-UHFFFAOYSA-N 1 1 394.475 2.365 50 0 GEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCCC3)[C@H]2C(C)C)cc1 ZINC000004474847 570376527 /nfs/dbraw/zinc/37/65/27/570376527.db2.gz DXZRCZBWHAKMQL-HXUWFJFHSA-N 1 1 393.553 2.296 50 0 GEAAMO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[NH+]3CCCCC3)[C@@H]2C(C)C)cc1 ZINC000004474846 570376649 /nfs/dbraw/zinc/37/66/49/570376649.db2.gz DXZRCZBWHAKMQL-FQEVSTJZSA-N 1 1 393.553 2.296 50 0 GEAAMO COc1ccc(NC(=O)[C@@H](NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C(C)C)cc1 ZINC000035855875 570409516 /nfs/dbraw/zinc/40/95/16/570409516.db2.gz QMYHVGGYADXGLB-UXHICEINSA-N 1 1 381.476 2.489 50 0 GEAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)[C@H]1CCCN1c1nccs1 ZINC000075507835 570422146 /nfs/dbraw/zinc/42/21/46/570422146.db2.gz UULJMCIFCXEZCN-MRXNPFEDSA-N 1 1 378.542 2.263 50 0 GEAAMO COc1ccc(OC)c(S(=O)(=O)NC[C@@H](c2cccn2C)[NH+]2CCCC2)c1 ZINC000011846845 570437864 /nfs/dbraw/zinc/43/78/64/570437864.db2.gz QBRGICQMVLCDBZ-KRWDZBQOSA-N 1 1 393.509 2.158 50 0 GEAAMO Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@@H]2[C@H]2CCC[N@H+]21 ZINC000006504108 570459710 /nfs/dbraw/zinc/45/97/10/570459710.db2.gz ZXZVNLHYBSEJJL-CROMWVBPSA-N 1 1 387.439 2.426 50 0 GEAAMO Cc1csc(N2CCC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)n1 ZINC000252679558 570480779 /nfs/dbraw/zinc/48/07/79/570480779.db2.gz OESCPNUXBXZCRM-SJORKVTESA-N 1 1 378.542 2.134 50 0 GEAAMO Cc1csc(N2CCC[N@@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)CC2)n1 ZINC000252679558 570480782 /nfs/dbraw/zinc/48/07/82/570480782.db2.gz OESCPNUXBXZCRM-SJORKVTESA-N 1 1 378.542 2.134 50 0 GEAAMO CC[C@@H](CNC(=O)c1ccccc1OCC(N)=O)[N@H+]1CCc2ccccc2C1 ZINC000029912566 570482528 /nfs/dbraw/zinc/48/25/28/570482528.db2.gz BNLRWAMTFQOIEU-SFHVURJKSA-N 1 1 381.476 2.117 50 0 GEAAMO O=C(N[C@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000022664400 570486209 /nfs/dbraw/zinc/48/62/09/570486209.db2.gz XRDXJNDDYMCIPD-IBGZPJMESA-N 1 1 378.476 2.319 50 0 GEAAMO COC(=O)C1C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)=NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034087022 570530972 /nfs/dbraw/zinc/53/09/72/570530972.db2.gz UBQYGTTXFMGIJO-KSMMKXTCSA-N 1 1 387.480 2.454 50 0 GEAAMO COC(=O)C1=C(C[N@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034087022 570530977 /nfs/dbraw/zinc/53/09/77/570530977.db2.gz UBQYGTTXFMGIJO-KSMMKXTCSA-N 1 1 387.480 2.454 50 0 GEAAMO COC(=O)C1=C(C[N@@H+]2C[C@H](C)C[C@H](C)C2)NC(=O)N[C@H]1c1cccc(OC)c1 ZINC000034087022 570530981 /nfs/dbraw/zinc/53/09/81/570530981.db2.gz UBQYGTTXFMGIJO-KSMMKXTCSA-N 1 1 387.480 2.454 50 0 GEAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)n1c2ccccc2c2cnn(C)c(=O)c21 ZINC000064776014 570543122 /nfs/dbraw/zinc/54/31/22/570543122.db2.gz KQICRLZLPFESGQ-HUUCEWRRSA-N 1 1 381.480 2.050 50 0 GEAAMO CCn1c(C(=O)NCCC[NH+]2CCOCC2)cc2c1c1ccccc1oc2=O ZINC000064839039 570562476 /nfs/dbraw/zinc/56/24/76/570562476.db2.gz ZZDIYSQUYQQPEC-UHFFFAOYSA-N 1 1 383.448 2.220 50 0 GEAAMO C[N@H+]1CCCN(C(=O)c2csc(NC(=O)c3cc(F)cc(F)c3)n2)CC1 ZINC000040355902 570566805 /nfs/dbraw/zinc/56/68/05/570566805.db2.gz SQTFVXAUAMEAGN-UHFFFAOYSA-N 1 1 380.420 2.451 50 0 GEAAMO COc1ccc2c(cc(C(=O)N[C@H]3CCC[N@@H+](C4CCN(C)CC4)C3)n2C)c1 ZINC000011665055 570578842 /nfs/dbraw/zinc/57/88/42/570578842.db2.gz JMVVAMBFEUEOIK-KRWDZBQOSA-N 1 1 384.524 2.475 50 0 GEAAMO COc1ccc2c(cc(C(=O)N[C@H]3CCC[N@H+](C4CCN(C)CC4)C3)n2C)c1 ZINC000011665055 570578844 /nfs/dbraw/zinc/57/88/44/570578844.db2.gz JMVVAMBFEUEOIK-KRWDZBQOSA-N 1 1 384.524 2.475 50 0 GEAAMO COCCN(C(=O)C[C@@H]1C(=O)NCC[N@H+]1Cc1cccc2ccccc21)C(C)C ZINC000011699275 570580138 /nfs/dbraw/zinc/58/01/38/570580138.db2.gz RXNCKCUUPBOZGR-OAQYLSRUSA-N 1 1 397.519 2.414 50 0 GEAAMO COCCN(C(=O)C[C@@H]1C(=O)NCC[N@@H+]1Cc1cccc2ccccc21)C(C)C ZINC000011699275 570580139 /nfs/dbraw/zinc/58/01/39/570580139.db2.gz RXNCKCUUPBOZGR-OAQYLSRUSA-N 1 1 397.519 2.414 50 0 GEAAMO Cc1ccc(OC2CCN(C(=O)C[C@@H]3C(=O)NCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000011818432 570584926 /nfs/dbraw/zinc/58/49/26/570584926.db2.gz CHUASYYKNWBPOE-OAQYLSRUSA-N 1 1 399.535 2.498 50 0 GEAAMO Cc1ccc(OC2CCN(C(=O)C[C@H]3C(=O)NCC[N@H+]3C3CCCC3)CC2)cc1 ZINC000011818431 570585033 /nfs/dbraw/zinc/58/50/33/570585033.db2.gz CHUASYYKNWBPOE-NRFANRHFSA-N 1 1 399.535 2.498 50 0 GEAAMO CCN(C)C(=O)[C@H](C1CCCC1)[NH+]1CCN(C(=O)c2cccc(OC)c2)CC1 ZINC000036251038 570587517 /nfs/dbraw/zinc/58/75/17/570587517.db2.gz KOWHLCFTMCPJCG-FQEVSTJZSA-N 1 1 387.524 2.490 50 0 GEAAMO C[N@@H+](Cc1ccccc1)C1(C(=O)N[C@H]2CCCCNC2=O)Cc2ccccc2C1 ZINC000039479245 570592466 /nfs/dbraw/zinc/59/24/66/570592466.db2.gz JSVJWGGQEDXGKX-NRFANRHFSA-N 1 1 391.515 2.441 50 0 GEAAMO CC(=O)Nc1ccc(C[N@@H+]2CCc3nnc([C@@H](C)NC(=O)C(C)C)n3CC2)cc1 ZINC000011977329 570596653 /nfs/dbraw/zinc/59/66/53/570596653.db2.gz URKDKTVJKHCRKM-OAHLLOKOSA-N 1 1 398.511 2.128 50 0 GEAAMO C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C[N@H+]1C1CC1 ZINC000151903788 570618962 /nfs/dbraw/zinc/61/89/62/570618962.db2.gz YTNOOAMTAMGECK-RNFRBKRXSA-N 1 1 377.313 2.062 50 0 GEAAMO Cc1cc(C)cc(-n2ncc3c2CCC[C@H]3NC(=O)C[NH+]2CCC(O)CC2)c1 ZINC000012192402 570622130 /nfs/dbraw/zinc/62/21/30/570622130.db2.gz ZJYFQBYEOQJGFY-HXUWFJFHSA-N 1 1 382.508 2.439 50 0 GEAAMO CC(C)NC(=O)C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000060320467 570631021 /nfs/dbraw/zinc/63/10/21/570631021.db2.gz PKXZOUJCCSLFLA-AWEZNQCLSA-N 1 1 375.469 2.021 50 0 GEAAMO CN(C(=O)Cn1nc(Cl)ccc1=O)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012303321 570637263 /nfs/dbraw/zinc/63/72/63/570637263.db2.gz RSQJQCGRZLKTMM-OAHLLOKOSA-N 1 1 392.862 2.159 50 0 GEAAMO CN(C(=O)Cn1nc(Cl)ccc1=O)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012303321 570637266 /nfs/dbraw/zinc/63/72/66/570637266.db2.gz RSQJQCGRZLKTMM-OAHLLOKOSA-N 1 1 392.862 2.159 50 0 GEAAMO CC[NH+](CC)[C@@H]1CCN(C(=O)c2cc(COc3ccc4c(c3)OCO4)n[nH]2)C1 ZINC000012306064 570638650 /nfs/dbraw/zinc/63/86/50/570638650.db2.gz PHAHHWGFBXVRNG-OAHLLOKOSA-N 1 1 386.452 2.274 50 0 GEAAMO Cc1ccccc1C(=O)N(CCS(=O)(=O)N1CC[NH2+]CC1)C1CCCCC1 ZINC000046140979 570650875 /nfs/dbraw/zinc/65/08/75/570650875.db2.gz CWMOURHUSGJJHI-UHFFFAOYSA-N 1 1 393.553 2.005 50 0 GEAAMO CC[NH+](CC)C[C@@H](O)COc1cc(CNCc2cnn(C)c2C)ccc1OC ZINC000012386985 570651907 /nfs/dbraw/zinc/65/19/07/570651907.db2.gz JJMUBQUDMGYZDA-LJQANCHMSA-N 1 1 390.528 2.108 50 0 GEAAMO O=C(NCC[N@@H+]1CCC[C@@H](O)C1)c1cc(COc2ccc(F)cc2Cl)on1 ZINC000012429435 570658014 /nfs/dbraw/zinc/65/80/14/570658014.db2.gz XRQSATSKQCPNTL-CYBMUJFWSA-N 1 1 397.834 2.233 50 0 GEAAMO CC[C@@H]1COCC[N@@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 ZINC000048501567 570658782 /nfs/dbraw/zinc/65/87/82/570658782.db2.gz CULQACDYBBVLSA-HXUWFJFHSA-N 1 1 393.491 2.487 50 0 GEAAMO CC[C@@H]1COCC[N@H+]1Cc1ccc(-c2nc(CCn3cccn3)cc(=O)[nH]2)cc1 ZINC000048501567 570658783 /nfs/dbraw/zinc/65/87/83/570658783.db2.gz CULQACDYBBVLSA-HXUWFJFHSA-N 1 1 393.491 2.487 50 0 GEAAMO CC[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC(=O)Nc1ccccc1OC ZINC000024992468 570662332 /nfs/dbraw/zinc/66/23/32/570662332.db2.gz PHZKKEHTJZVQTF-UHFFFAOYSA-N 1 1 398.463 2.083 50 0 GEAAMO COc1cc(CN(C)Cc2cnccn2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012477411 570674193 /nfs/dbraw/zinc/67/41/93/570674193.db2.gz PKIZHVDQZZEMGD-LJQANCHMSA-N 1 1 388.512 2.197 50 0 GEAAMO COc1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cccnc3)C2)cc2c1OCO2 ZINC000012574983 570682434 /nfs/dbraw/zinc/68/24/34/570682434.db2.gz MDVYVKCXLZDYBE-OAHLLOKOSA-N 1 1 383.448 2.461 50 0 GEAAMO CN(C)S(=O)(=O)CCC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000243892841 570691758 /nfs/dbraw/zinc/69/17/58/570691758.db2.gz ALVQUYHTEYAIOA-MRXNPFEDSA-N 1 1 378.498 2.198 50 0 GEAAMO Cc1cc(C(=O)N2CCC[C@H]([NH+]3CCN(c4ccccc4F)CC3)C2)n(C)n1 ZINC000055385699 570693904 /nfs/dbraw/zinc/69/39/04/570693904.db2.gz YNJUGCMWEDUJKR-KRWDZBQOSA-N 1 1 385.487 2.294 50 0 GEAAMO Cc1nn2cnnc2c(C)c1CCC(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000006917630 570703602 /nfs/dbraw/zinc/70/36/02/570703602.db2.gz SVJQOUHAHVVOPP-UHFFFAOYSA-N 1 1 380.496 2.312 50 0 GEAAMO COC(=O)C1CCN(C[C@H](O)COc2ccc(C[NH2+]C3CCCC3)cc2)CC1 ZINC000012747131 570708749 /nfs/dbraw/zinc/70/87/49/570708749.db2.gz QJXZXMRNQOHGPS-FQEVSTJZSA-N 1 1 390.524 2.344 50 0 GEAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@@H+]1CC(=O)NC(=O)NC1CC1 ZINC000058174781 570715772 /nfs/dbraw/zinc/71/57/72/570715772.db2.gz YERMFQUIJQEHAG-HZPDHXFCSA-N 1 1 394.516 2.229 50 0 GEAAMO CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCC[N@H+]1CC(=O)NC(=O)NC1CC1 ZINC000058174781 570715775 /nfs/dbraw/zinc/71/57/75/570715775.db2.gz YERMFQUIJQEHAG-HZPDHXFCSA-N 1 1 394.516 2.229 50 0 GEAAMO CCCCNC(=O)Cn1c(CC)nc2c(c1=O)C[N@@H+](Cc1ccccc1)CC2 ZINC000065153496 570716813 /nfs/dbraw/zinc/71/68/13/570716813.db2.gz YQHCSDTZIJSNPT-UHFFFAOYSA-N 1 1 382.508 2.280 50 0 GEAAMO CCn1nc(C)c(NC(=O)C[N@@H+](C)C[C@H]2CC(=O)N(C3CCCC3)C2)c1C ZINC000252510020 570729301 /nfs/dbraw/zinc/72/93/01/570729301.db2.gz ZAHZYQXDJKKMDF-MRXNPFEDSA-N 1 1 375.517 2.181 50 0 GEAAMO COc1cccc(C(=O)NCCNc2cc(N3CCCC3)[nH+]c(C)n2)c1OC ZINC000036708051 570793457 /nfs/dbraw/zinc/79/34/57/570793457.db2.gz SRKZSNKLUWSAHQ-UHFFFAOYSA-N 1 1 385.468 2.244 50 0 GEAAMO CC[C@@H](CNC(=O)COc1ccc(CC(N)=O)cc1)[N@H+]1CCc2ccccc2C1 ZINC000065584023 570836945 /nfs/dbraw/zinc/83/69/45/570836945.db2.gz NOFHGJLFWVNSAH-FQEVSTJZSA-N 1 1 395.503 2.046 50 0 GEAAMO O=C(C[NH+]1CCC(OCc2ccccc2)CC1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000032851164 570854483 /nfs/dbraw/zinc/85/44/83/570854483.db2.gz PJRQQAMQNKUPTB-UHFFFAOYSA-N 1 1 380.448 2.476 50 0 GEAAMO O=C(COC(=O)c1ccc(F)cc1F)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032860235 570860624 /nfs/dbraw/zinc/86/06/24/570860624.db2.gz WAYXCDFQRGXWSS-UHFFFAOYSA-N 1 1 396.434 2.273 50 0 GEAAMO Cc1[nH+]ccn1Cc1cccc(CNC(=O)CN2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 ZINC000103141060 570877860 /nfs/dbraw/zinc/87/78/60/570877860.db2.gz OUHOTODPBZXRJI-RTBURBONSA-N 1 1 394.475 2.031 50 0 GEAAMO O=C(CN1CCOCC1)N1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000032879831 570883029 /nfs/dbraw/zinc/88/30/29/570883029.db2.gz DWRPHCSNCIKYBZ-UHFFFAOYSA-N 1 1 379.504 2.330 50 0 GEAAMO C[C@@H]1CN([C@H](CNC(=O)[C@H]2CSC[NH2+]2)c2c(F)cccc2Cl)CCO1 ZINC000249827543 570897843 /nfs/dbraw/zinc/89/78/43/570897843.db2.gz LNYQNTGNWIVBST-KCPJHIHWSA-N 1 1 387.908 2.020 50 0 GEAAMO C[C@@H]1CN([C@H](CNC(=O)[C@@H]2CSC[NH2+]2)c2c(F)cccc2Cl)CCO1 ZINC000249827540 570897874 /nfs/dbraw/zinc/89/78/74/570897874.db2.gz LNYQNTGNWIVBST-BYCMXARLSA-N 1 1 387.908 2.020 50 0 GEAAMO C[NH+]1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)CC1 ZINC000022553971 570907715 /nfs/dbraw/zinc/90/77/15/570907715.db2.gz KSJXAUGRZZCGPR-UVTDQMKNSA-N 1 1 379.869 2.150 50 0 GEAAMO CC[NH+]1CCC(CNC(=O)N2CCC(c3ccnc(C)n3)CC2)(N(C)C)CC1 ZINC000534675245 570920914 /nfs/dbraw/zinc/92/09/14/570920914.db2.gz ZMAINLDTXKTUMP-UHFFFAOYSA-N 1 1 388.560 2.090 50 0 GEAAMO CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000047032674 570938822 /nfs/dbraw/zinc/93/88/22/570938822.db2.gz BZGSZXREFOXFBT-SFHVURJKSA-N 1 1 379.457 2.365 50 0 GEAAMO Cc1[nH+]ccn1-c1cc(CNC(=O)[C@@H]2CCCN2C(=O)c2ccco2)ccn1 ZINC000047013478 570938856 /nfs/dbraw/zinc/93/88/56/570938856.db2.gz USMDSZNSRQEGCE-INIZCTEOSA-N 1 1 379.420 2.090 50 0 GEAAMO COc1ccc(S(=O)(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc1OC ZINC000047032822 570939175 /nfs/dbraw/zinc/93/91/75/570939175.db2.gz YVNPPBNYLVNROX-INIZCTEOSA-N 1 1 382.457 2.424 50 0 GEAAMO COc1ccc(CC(=O)N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1OC ZINC000106152779 570949444 /nfs/dbraw/zinc/94/94/44/570949444.db2.gz PVUFBLIOYGZDOU-SOLBZPMBSA-N 1 1 376.497 2.347 50 0 GEAAMO O=C(C[C@@H]1NC(=O)N(Cc2ccccc2)C1=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000252523301 570988136 /nfs/dbraw/zinc/98/81/36/570988136.db2.gz CHMOFTQDVVEPCK-QYZOEREBSA-N 1 1 398.507 2.082 50 0 GEAAMO CC[C@@H](C)[C@@H](C(=O)NCCCCN1CC[NH+](CCO)CC1)c1ccccc1 ZINC000084721612 571033403 /nfs/dbraw/zinc/03/34/03/571033403.db2.gz VKCQPJVBMYPIDZ-TZIWHRDSSA-N 1 1 375.557 2.323 50 0 GEAAMO Cc1c(Cl)ccc(S(=O)(=O)NCC[N@@H+]2CCCC[C@H]2CO)c1Cl ZINC000670454606 652750130 /nfs/dbraw/zinc/75/01/30/652750130.db2.gz KVHXMHQFHCCZLE-LBPRGKRZSA-N 1 1 381.325 2.427 50 0 GEAAMO Cc1c(Cl)ccc(S(=O)(=O)NCC[N@H+]2CCCC[C@H]2CO)c1Cl ZINC000670454606 652750137 /nfs/dbraw/zinc/75/01/37/652750137.db2.gz KVHXMHQFHCCZLE-LBPRGKRZSA-N 1 1 381.325 2.427 50 0 GEAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)N2CCN(c3cnccn3)CC2)C1 ZINC000426545091 231238100 /nfs/dbraw/zinc/23/81/00/231238100.db2.gz OKNYMSUBABNQST-LJQANCHMSA-N 1 1 394.523 2.106 50 0 GEAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)c1cccc(-c3cncc(C(N)=O)c3)c1)C2 ZINC000426511723 529801252 /nfs/dbraw/zinc/80/12/52/529801252.db2.gz 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2.102 50 0 GEAAMO CC(=O)N1CCc2c(nc(-c3ccccn3)nc2NC[C@H]2CCCC[N@@H+]2C)C1 ZINC000077564309 222284563 /nfs/dbraw/zinc/28/45/63/222284563.db2.gz PUFFKQJEEOFSFN-MRXNPFEDSA-N 1 1 380.496 2.339 50 0 GEAAMO CCCSCC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082093030 222309152 /nfs/dbraw/zinc/30/91/52/222309152.db2.gz HKGUGTNYPHAXMX-KRWDZBQOSA-N 1 1 381.586 2.455 50 0 GEAAMO Cc1cc(CN2CCC([N@H+]3CCC[C@@H](C(=O)NCc4ccccn4)C3)CC2)on1 ZINC000082129029 222310015 /nfs/dbraw/zinc/31/00/15/222310015.db2.gz LJFFNBMPNRQNPW-GOSISDBHSA-N 1 1 397.523 2.371 50 0 GEAAMO Cc1nc(C[NH+]2CCC(C(=O)Nc3ccc(-n4cnnn4)cc3)CC2)cs1 ZINC000095521677 222347422 /nfs/dbraw/zinc/34/74/22/222347422.db2.gz QOSVWVXLTCXTTO-UHFFFAOYSA-N 1 1 383.481 2.278 50 0 GEAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)Cn2ccccc2=O)C1 ZINC000095524983 222347728 /nfs/dbraw/zinc/34/77/28/222347728.db2.gz SJRRRLQNIAZJSI-LJQANCHMSA-N 1 1 397.519 2.270 50 0 GEAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)c1cnc[nH]c1=O ZINC000095526811 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COCC[NH+]1C[C@@H]2C[N@H+](Cc3c(OC)ccc4ccccc43)C[C@]2(C(=O)[O-])C1 ZINC000096132960 222386757 /nfs/dbraw/zinc/38/67/57/222386757.db2.gz FOTOOAPJDLLTQP-VGOFRKELSA-N 1 1 384.476 2.313 50 0 GEAAMO COCC[NH+]1C[C@@H]2C[N@@H+](Cc3c(OC)ccc4ccccc43)C[C@]2(C(=O)[O-])C1 ZINC000096132960 222386759 /nfs/dbraw/zinc/38/67/59/222386759.db2.gz FOTOOAPJDLLTQP-VGOFRKELSA-N 1 1 384.476 2.313 50 0 GEAAMO Cn1ccc2ccc(C[N@H+]3C[C@H]4C[NH+](C5CCOCC5)C[C@@]4(C(=O)[O-])C3)cc21 ZINC000096142196 222388127 /nfs/dbraw/zinc/38/81/27/222388127.db2.gz IMSXCFCBXVXZRD-AVRDEDQJSA-N 1 1 383.492 2.176 50 0 GEAAMO Cn1ccc2ccc(C[NH+]3C[C@H]4C[N@@H+](C5CCOCC5)C[C@@]4(C(=O)[O-])C3)cc21 ZINC000096142196 222388132 /nfs/dbraw/zinc/38/81/32/222388132.db2.gz IMSXCFCBXVXZRD-AVRDEDQJSA-N 1 1 383.492 2.176 50 0 GEAAMO Cn1ccc2ccc(C[NH+]3C[C@H]4C[N@H+](C5CCOCC5)C[C@@]4(C(=O)[O-])C3)cc21 ZINC000096142196 222388136 /nfs/dbraw/zinc/38/81/36/222388136.db2.gz IMSXCFCBXVXZRD-AVRDEDQJSA-N 1 1 383.492 2.176 50 0 GEAAMO Cc1cccc(Cn2nc(-c3ccncc3)nc2C[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000096162944 222393708 /nfs/dbraw/zinc/39/37/08/222393708.db2.gz NNNLERQAHLBBBP-HXUWFJFHSA-N 1 1 376.508 2.485 50 0 GEAAMO Cc1cccc(Cn2nc(-c3ccncc3)nc2C[C@@H]2CN(C)CC[N@@H+]2C)c1 ZINC000096162944 222393712 /nfs/dbraw/zinc/39/37/12/222393712.db2.gz NNNLERQAHLBBBP-HXUWFJFHSA-N 1 1 376.508 2.485 50 0 GEAAMO Cc1cccc(Cn2nc(-c3ccncc3)nc2C[C@@H]2CN(C)CC[N@H+]2C)c1 ZINC000096162944 222393715 /nfs/dbraw/zinc/39/37/15/222393715.db2.gz NNNLERQAHLBBBP-HXUWFJFHSA-N 1 1 376.508 2.485 50 0 GEAAMO Cc1nnnn1-c1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000096180429 222395232 /nfs/dbraw/zinc/39/52/32/222395232.db2.gz ZTORVXVHPWNHMO-LJQANCHMSA-N 1 1 377.452 2.491 50 0 GEAAMO Cc1nnnn1-c1cccc(NC(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000096180429 222395236 /nfs/dbraw/zinc/39/52/36/222395236.db2.gz ZTORVXVHPWNHMO-LJQANCHMSA-N 1 1 377.452 2.491 50 0 GEAAMO Cn1c(CN2CCOCC2)nnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000426470530 534688545 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/nfs/dbraw/zinc/24/42/12/570244212.db2.gz UUFGSQPVGQQXNT-UHFFFAOYSA-N 1 1 381.436 2.152 50 0 GEAAMO O=C(Nc1ccc2c(c1)OCC(=O)N2)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000097475397 570244215 /nfs/dbraw/zinc/24/42/15/570244215.db2.gz UUFGSQPVGQQXNT-UHFFFAOYSA-N 1 1 381.436 2.152 50 0 GEAAMO NC(=O)[C@@H]1CCC[N@@H+](CCNC(=O)Nc2ccc(Cl)c3ncccc23)C1 ZINC000097600939 570247453 /nfs/dbraw/zinc/24/74/53/570247453.db2.gz LLMCMKQKBLQCNA-GFCCVEGCSA-N 1 1 375.860 2.207 50 0 GEAAMO Cc1nc(N2CCC(NC(=O)[C@H]3CCC[N@H+](C)C3)CC2)cc(C(F)(F)F)n1 ZINC000575615097 570352676 /nfs/dbraw/zinc/35/26/76/570352676.db2.gz BPCQMNDVQBTTMA-ZDUSSCGKSA-N 1 1 385.434 2.231 50 0 GEAAMO Cc1ccsc1C[N@@H+]1CCc2nnc(CNC(=O)c3ccccn3)n2CC1 ZINC000023366737 570357168 /nfs/dbraw/zinc/35/71/68/570357168.db2.gz FLLHOOYOKZLVFN-UHFFFAOYSA-N 1 1 382.493 2.031 50 0 GEAAMO CC[NH+]1CCN(C2(C(=O)N[C@H](C)Cc3cccnc3)Cc3ccccc3C2)CC1 ZINC000023373612 570357599 /nfs/dbraw/zinc/35/75/99/570357599.db2.gz WEAKAUVWJWZDHC-LJQANCHMSA-N 1 1 392.547 2.304 50 0 GEAAMO COc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000035485136 570374559 /nfs/dbraw/zinc/37/45/59/570374559.db2.gz VRZAPEKPOJCOMH-SFTDATJTSA-N 1 1 393.487 2.017 50 0 GEAAMO CC[N@H+]1CCC[C@@H]1CN1CC2=C(C1=O)[C@@H](c1ccc(SC)cc1)NC(=O)N2 ZINC000226356212 570375248 /nfs/dbraw/zinc/37/52/48/570375248.db2.gz RINLSZMCNROFFG-RDTXWAMCSA-N 1 1 386.521 2.343 50 0 GEAAMO CCCCN1C(=O)[C@@H]2[C@H](C1=O)[C@@H]1CCC[N@H+]1[C@@]21c2ccc(C)c(C)c2NC1=O ZINC000033589972 570382178 /nfs/dbraw/zinc/38/21/78/570382178.db2.gz PCCPNCHLBHQKNC-GEYWLOKFSA-N 1 1 381.476 2.330 50 0 GEAAMO Cc1ccc(C[N@@H+](C)CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)c(C)c1 ZINC000024812960 570393938 /nfs/dbraw/zinc/39/39/38/570393938.db2.gz YURAVCFSFDXEDM-UHFFFAOYSA-N 1 1 386.496 2.411 50 0 GEAAMO CC[C@H]1CCCC[N@@H+]1Cc1nc2c(c(=O)n(C)c(=O)n2C)n1Cc1ccccc1 ZINC000004809986 570406998 /nfs/dbraw/zinc/40/69/98/570406998.db2.gz CMWFTZZZCJADGU-KRWDZBQOSA-N 1 1 395.507 2.247 50 0 GEAAMO 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